diff --git "a/processing/output/table48.csv" "b/processing/output/table48.csv" new file mode 100644--- /dev/null +++ "b/processing/output/table48.csv" @@ -0,0 +1,1104 @@ +n-powerfact,encut,p-Seebeck,epsx,Tc_supercon,effective_masses_300K,typ,dfpt_piezo_max_dielectric_ionic,kpoint_length_unit,ehull,dfpt_piezo_max_eij,dfpt_piezo_max_dij,exfoliation_energy,max_ir_mode,optb88vdw_total_energy,magmom_outcar,elastic_tensor,magmom_oszicar,spillage,poisson,jid,mbj_bandgap,optb88vdw_bandgap,slme,formula,nat,spg_symbol,func,spg_number,shear_modulus_gv,hse_gap,bulk_modulus_kv,formation_energy_peratom +103.96666666666665,850,15.603333333333333,14.1627,na,"{'p': [0.0, 0.0, 0.04], 'n': [0.0, 0.0, 0.04]}",SingleLayer,na,30,0.0,na,na,66.6,na,-4.52094,0.908,"[[-0.0, 0.1980659999999972, 0.6090959999999939, 0.34004199999999685, 0.9290120000000002, 0.538107999999994], [-0.0, 0.5889700000000033, 0.1980659999999972, 0.6599580000000032, 0.8580240000000003, 0.269053999999997], [-0.0, -0.0, 0.0, 0.18539400000000228, 0.18539400000000228, 0.18539400000000228], [0.538107999999994, 0.34004199999999685, 0.9290120000000002, 0.1980659999999972, 0.6090959999999939, -0.0], [0.8580240000000003, 0.269053999999997, 0.6599580000000032, 0.1980659999999972, 0.0, 0.5889700000000033], [0.18539400000000228, 0.18539400000000228, 0.18539400000000228, 0.0, -0.0, -0.0]]",0.94,na,na,JVASP-14441,na,0.0,na,CoO2,3,P-3m1,OptB88vdW,164,na,na,na,-0.92474 +na,600,na,70.8788,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,45,0.0,na,na,na,na,-3.37838,4.5840000000000005,na,4.89,na,na,JVASP-76308,na,0.0,na,UTe3,8,Pmn2_1,OptB88vdW,31,na,na,na,-0.48063 +176.24666666666667,500,304.78666666666663,2.9968,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,na,na,-0.34456,0.0,na,0.0,na,na,JVASP-76515,2.862,2.548,6.32,BiI3,8,P-31m,OptB88vdW,162,na,na,na,-0.36479 +na,750,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,77.18,na,-2.77075,0.0,na,0.0,na,na,JVASP-13526,na,4.067,na,YBr3,8,C2/m,OptB88vdW,12,na,na,na,-1.88687 +307.19,700,-100.29666666666667,7.165,na,"{'p': [0.0, 0.0, 0.3], 'n': [0.0, 0.0, 0.3]}",SingleLayer,na,60,0.0,na,na,na,na,-3.75353,0.0,"[[96.5, 30.9, 0.4, -0.0, -0.1, 0.0], [30.9, 96.5, 0.4, 0.0, 0.1, -0.0], [1.1, 1.1, 1.8, -0.0, -0.0, 0.0], [-0.0, 0.0, -0.0, 12.7, 0.0, -0.1], [-0.4, 0.4, -0.0, 0.0, 0.4, -0.0], [0.0, -0.0, 0.0, -0.1, -0.0, 0.4]]",0.001,na,na,JVASP-27901,na,0.0,na,ScHCl,6,P-3m1,OptB88vdW,164,na,na,na,-1.4135 +0.17,500,3.25,12.9999,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,55,0.0,na,na,na,na,-1.92191,0.0,na,0.0,na,na,JVASP-76516,0.0,0.0,na,Bi2Pt,3,P-3m1,OptB88vdW,164,na,na,na,0.04235 +500.59666666666675,650,271.57666666666665,4.5275,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,na,na,-1.88773,0.0,na,0.0,na,na,JVASP-76309,0.835,0.559,27.03,InCuP2Se6,10,P312,OptB88vdW,149,na,na,na,-0.10629 +1073.4933333333333,650,259.79,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,65,0.0,na,na,na,na,-2.47803,0.0,na,0.0,na,na,JVASP-76525,na,0.443,na,ZrI2,6,P2_1/m,OptB88vdW,11,na,na,na,-0.84894 +1.79,800,-9.33,na,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,40,0.0,na,na,90.24,na,-2.82851,4.088,na,4.186,0.102,na,JVASP-6667,na,0.0,na,FeTe,4,P4/nmm,OptB88vdW,129,na,na,na,0.06375 +5.26,650,-6.866666666666667,12.9578,na,"{'p': [0.0, 0.0, 0.08], 'n': [0.0, 0.0, 0.08]}",SingleLayer,na,45,0.0,na,na,81.84,na,-3.96292,2.7380000000000004,"[[77.4, 39.5, 1.4, 0.0, 0.0, 0.0], [39.5, 77.4, 1.4, 0.0, 0.0, -0.0], [3.6, 3.6, -0.8, 0.0, 0.0, -0.0], [0.0, 0.0, 0.0, 1.8, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.3, -0.0], [0.0, -0.0, -0.0, 0.0, -0.0, 0.3]]",2.708,0.013,na,JVASP-14431,na,0.0,na,MnSe,4,P4/nmm,OptB88vdW,129,na,na,na,-0.21705 +101.34666666666668,500,-26.58,10.2299,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,75,0.0,na,na,86.84,na,-3.60851,0.0,na,0.004,na,na,JVASP-676,na,0.0,na,Te2Mo,6,P2_1/m,OptB88vdW,11,na,na,na,-0.14204 +390.01666666666665,1450,289.03,2.0736,na,"{'p': [2.13, 2.13, 1061.76], 'n': [0.45, 0.45, 1517.55]}",SingleLayer,na,35,0.0,na,na,na,na,0.15812,0.0,na,0.0,na,na,JVASP-76312,na,1.665,na,CuBr,4,P4/nmm,OptB88vdW,129,na,na,na,-0.17974 +518.1366666666667,1250,215.90666666666667,1.6453,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,na,na,-3.86811,0.0,na,0.0,na,na,JVASP-76562,2.263,2.031,17.32,TeH2O4,14,Pc,OptB88vdW,7,na,na,na,-0.8841 +605.5533333333334,500,94.38333333333334,3.8502,na,"{'p': [3.28, 0.16, 37.79], 'n': [1.27, 0.19, 130.98]}",SingleLayer,na,35,0.0,na,na,111.76,na,-3.84945,0.0,na,0.0,0.0,na,JVASP-60235,na,0.848,na,P,4,Pmna,OptB88vdW,53,na,na,na,0.11176 +254.32333333333335,650,227.15,3.1065,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,na,na,-2.75139,0.0,na,0.0,na,na,JVASP-76567,2.339,1.278,15.82,As2S3,10,P1,OptB88vdW,1,na,na,na,-0.01514 +na,500,na,37.3468,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,40,0.0,na,na,89.48,na,-2.25651,5.65,na,5.988,na,na,JVASP-60389,0.0,0.405,na,CrGeTe3,10,P-31m,OptB88vdW,162,na,na,na,-0.0397 +na,650,na,2.5417,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,65,0.0,na,na,250.75,na,-1.25793,0.0,na,0.0,0.046,na,JVASP-60776,0.0,0.0,na,InS,4,P4/nmm,OptB88vdW,129,na,na,na,-0.33327 +na,1200,na,49.4629,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-6.79824,9.724,na,10.0,na,na,JVASP-76576,0.0,0.0,na,PuIO,6,P4/nmm,OptB88vdW,129,na,na,na,-2.53431 +6.423333333333333,850,-13.89,28.0743,na,"{'p': [0.0, 0.0, 0.02], 'n': [0.0, 0.0, 0.02]}",SingleLayer,na,35,0.0,na,na,55.29,na,-4.87948,1.963,"[[124.0, 51.4, -4.6, -0.0, -0.0, -0.0], [51.4, 124.0, -4.6, -0.0, 0.0, -0.0], [-10.1, -10.1, -10.7, -0.0, 0.0, -0.0], [-0.0, -0.0, -0.0, 16.6, 0.0, -0.0], [-0.1, 0.1, 0.0, 0.0, 0.1, 0.0], [-0.0, -0.0, -0.0, -0.0, 0.0, 0.1]]",2.0,0.012,na,JVASP-27912,na,0.0,na,FeO2,3,P-3m1,OptB88vdW,164,na,na,na,-1.21751 +na,500,na,2.7193,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-0.39716,0.0,na,0.0,na,na,JVASP-76581,na,2.157,na,PbI2,3,P-3m1,OptB88vdW,164,na,na,na,-0.57131 +na,950,na,14.5525,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,74.42,na,-2.08276,1.824,"[[0.0, 3.842691898015005e-07, 0.3336148497977678, 0.0, 3.842691895794559e-07, 0.3336148497977679], [0.0, 0.3336148497977679, 0.3336144655285782, 0.3336144655285782, -8.470332727429645e-22, 0.3336148497977679], [0.0, 0.0, 0.0, 0.8817564116464183, 0.8817564116464183, 0.8817564116464183], [0.22241015604463832, 0.22240977177544874, 0.8887953062468704, 0.22241015604463832, 0.22240977177544874, 0.8887953062468704], [0.4448195435508975, 0.11120469375312958, 0.11120507802231916, 0.11120507802231916, 0.4448195435508975, 0.11120469375312958], [0.8817564116464183, 0.8817564116464183, 0.8817564116464183, 0.0, 0.0, 0.0]]",1.985,0.264,na,JVASP-60477,na,0.011,na,RuCl3,8,P-31m,OptB88vdW,162,na,na,na,-0.48611 +11.17,700,0.023333333333333428,11.4595,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,50.39,na,-2.37394,1.724,na,2.0,na,na,JVASP-60479,0.0,0.0,na,TiBr3,8,P-31m,OptB88vdW,162,na,na,na,-1.18448 +214.3166666666667,850,184.29999999999998,1.8216,na,"{'p': [7.0, 0.5, 2431.41], 'n': [1.14, 3.69, 192227.0]}",SingleLayer,na,30,0.0,na,na,na,na,-2.86864,0.0,na,0.0,na,na,JVASP-76319,na,2.522,na,TbCl3,8,Pmmn,OptB88vdW,59,na,na,na,-2.29398 +na,650,na,5.3309,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,45,0.0,na,na,na,na,-2.28216,3.825,"[[0.0, 0.9999996826179574, 0.9999934803807622, 0.999995759381189, 1.9616183841719703e-06, 0.9999954419991464], [0.0, 6.202237195385152e-06, 0.9999996826179571, 4.240618810769092e-06, 3.923236768565985e-06, 0.9999977209995732], [0.0, 0.0, 0.0, 0.12334928269394996, 0.12334928269394996, 0.12334928269394996], [0.9999954419991464, 0.999995759381189, 1.9616183841719703e-06, 0.9999996826179574, 0.9999934803807622, 0.0], [3.923236768343941e-06, 0.999997720999573, 4.2406188112131815e-06, 0.9999996826179576, -2.220446049250313e-16, 6.202237195163107e-06], [0.12334928269394996, 0.12334928269394996, 0.12334928269394996, 0.0, 0.0, 0.0]]",4.0,na,na,JVASP-60480,na,0.0,na,FeCl2,3,P-3m1,OptB88vdW,164,na,na,na,-0.67083 +na,700,na,4.2953,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,na,na,-1.91776,0.0,na,0.0,0.032,na,JVASP-60543,na,0.903,na,GaAgP2Se6,10,P312,OptB88vdW,149,na,na,na,-0.10924 +na,850,na,19.5042,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,45,0.0,na,na,na,na,-4.85681,0.0,na,0.0,na,na,JVASP-76583,na,0.0,na,Nb3IrS8,12,P1,OptB88vdW,1,na,na,na,-0.8466 +314.93333333333334,700,-61.43,5.0239,na,"{'p': [0.0, 0.0, 0.3], 'n': [0.0, 0.0, 0.3]}",SingleLayer,na,65,0.0,na,na,na,na,-3.23507,0.0,na,0.0,na,na,JVASP-76322,na,0.0,na,ErHCl,6,P-3m1,OptB88vdW,164,na,na,na,-1.44618 +na,750,na,1.6062,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,245.37,na,-6.82236,0.0,na,0.0,0.003,na,JVASP-60236,na,3.107,na,Nb2O5,7,C2/m,OptB88vdW,12,na,na,na,-2.44149 +na,850,na,2.5029,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,na,na,-2.43406,1.946,na,2.0,na,na,JVASP-76584,-0.0,0.002,0.0,Li2UBr6,9,P-31m,OptB88vdW,162,na,na,na,-1.42067 +na,650,na,3.9382,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,na,na,-5.13667,0.0,"[[102.3, 39.2, -0.1, -0.0, 0.0, 0.0], [39.2, 102.3, -0.1, 0.0, 0.0, 0.0], [-0.3, -0.3, -1.7, -0.0, 0.0, 0.0], [-0.0, 0.0, -0.0, 13.6, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.1, -0.0], [0.0, 0.0, 0.0, 0.0, -0.0, 0.1]]",0.0,na,na,JVASP-76334,0.692,0.0,23.81,NbS2,3,P-6m2,OptB88vdW,187,na,na,na,-1.03008 +208.52666666666664,700,269.6233333333333,4.2955,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,na,na,-1.91774,0.0,na,0.0,na,na,JVASP-76598,1.327,0.903,33.86,GaAgP2Se6,10,P312,OptB88vdW,149,na,na,na,-0.10923 +8.16,950,31.566666666666666,16.8784,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,80,0.0,na,na,na,na,-1.91011,0.0,na,0.0,na,na,JVASP-76341,na,0.0,na,AlPd5I2,8,P4/mmm,OptB88vdW,123,na,na,na,-0.3509 +na,750,na,2.3339,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-0.88238,0.0,na,0.0,na,na,JVASP-76604,3.392,2.998,1.77,BiBr3,16,P2_1/c,OptB88vdW,14,na,na,na,-0.66713 +701.0933333333334,650,222.82666666666668,17.1973,na,"{'p': [1.64, 1.64, 160.04], 'n': [1.99, 1.99, 1132.8]}",SingleLayer,na,35,0.0,na,na,na,na,-1.10618,1.877,na,1.999,na,na,JVASP-76342,na,0.939,na,NiCl2,3,P-3m1,OptB88vdW,164,na,na,na,-0.55825 +188.41666666666666,850,294.9633333333333,2.4736,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,na,na,-5.09301,0.0,na,0.0,na,na,JVASP-76608,4.018,2.56,0.01,YIO,6,P4/nmm,OptB88vdW,129,na,na,na,-2.87471 +na,500,na,25.6433,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,60,0.0,na,na,316.58,na,-0.74638,0.0,na,0.0,0.224,na,JVASP-60237,0.0,0.0,na,Te2Au,3,P-3m1,OptB88vdW,164,na,na,na,0.25302 +236.64,1150,-207.75666666666666,11.0699,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-6.36404,1.9400000000000004,na,2.0,na,na,JVASP-76343,0.0,0.086,na,UBrO2,8,Pmma,OptB88vdW,51,na,na,na,-2.80121 +182.43666666666664,850,272.33,1.8514,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,na,na,-4.94053,0.0,na,0.0,na,na,JVASP-76609,5.778,1.365,0.0,TmClO,6,Pmmn,OptB88vdW,59,na,na,na,-3.2287 +282.54333333333335,600,248.3066666666667,3.1134,na,"{'p': [43.63, 38.01, 3101.95], 'n': [4.27, 5.63, 353.95]}",SingleLayer,na,25,0.0,na,na,74.06,na,-2.85643,0.0,na,0.0,0.023,na,JVASP-60390,1.204,1.102,33.65,NbSe2Br2,10,P-1,OptB88vdW,2,na,na,na,-0.69825 +110.03333333333332,700,4.0566666666666675,19.9716,na,"{'p': [0.0, 0.0, 0.04], 'n': [0.0, 0.0, 0.04]}",SingleLayer,na,35,0.0,na,na,57.9,na,-5.03073,3.716,na,4.0,1.769,na,JVASP-6145,na,0.0,na,US3,8,P2_1/m,OptB88vdW,11,na,na,na,-1.16629 +na,650,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,107.71,na,-4.32986,2.007,na,2.047,0.308,na,JVASP-726,na,0.0,na,CrS2,3,P-3m1,OptB88vdW,164,na,na,na,-0.53616 +374.56,650,504.2633333333333,1.6648,na,"{'p': [13.0, 13.0, 40956.5], 'n': [0.91, 0.91, 8689.6]}",SingleLayer,na,25,0.0,na,na,na,na,-3.09683,0.0,"[[81.3, 12.4, -0.4, 0.0, -0.0, 0.0], [12.4, 81.3, -0.4, 0.0, -0.0, 0.0], [-1.1, -1.1, -0.8, 0.0, -0.0, 0.0], [0.0, 0.0, 0.0, 9.7, 0.0, 0.0], [-0.0, -0.0, -0.0, 0.0, -19.7, -0.0], [0.0, 0.0, 0.0, 0.0, -0.0, -19.7]]",0.0,na,na,JVASP-76344,6.227,2.276,0.0,CaClF,6,P4/nmm,OptB88vdW,129,na,na,na,-3.31174 +1283.4966666666667,850,339.83,2.0275,na,"{'p': [5.37, 0.8, 53794.85], 'n': [0.44, 0.94, 1725.15]}",SingleLayer,na,30,0.0,na,na,na,na,-4.67969,0.0,na,0.0,na,na,JVASP-76611,5.177,4.689,0.0,TmBrO,6,Pmmn,OptB88vdW,59,na,na,na,-3.04939 +na,1250,na,22.7638,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-3.86646,2.892,na,2.968,na,na,JVASP-60391,na,0.0,na,CoH2SeO4,16,P1,OptB88vdW,1,na,na,na,-0.62916 +na,950,na,21.3342,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-6.18381,3.666,na,4.0,na,na,JVASP-76349,0.0,0.0,na,UIN,6,P4/nmm,OptB88vdW,129,na,na,na,-1.38931 +810.4233333333333,750,312.89000000000004,1.7925,na,"{'p': [4.76, 17.56, 553.49], 'n': [1.34, 7.16, 250.86]}",SingleLayer,na,25,0.0,na,na,na,na,-2.77079,0.0,na,0.0,na,na,JVASP-76613,4.165,4.068,0.0,YBr3,8,C2/m,OptB88vdW,12,na,na,na,-1.88692 +316.39333333333326,700,175.61,16.2078,na,"{'p': [3.48, 1.3, 348.06], 'n': [1.11, 1.01, 150.81]}",SingleLayer,na,35,0.0,na,na,72.2,na,-3.79452,5.528,na,5.999,na,na,JVASP-60392,na,0.774,na,CrPS4,12,P-1,OptB88vdW,2,na,na,na,-0.40312 +na,750,na,3.7952,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-2.80253,0.253,na,0.307,na,na,JVASP-76350,0.918,0.039,30.66,Nb3Br8,11,P3m1,OptB88vdW,156,na,na,na,-0.88994 +805.5466666666666,800,310.40333333333336,2.2214,na,"{'p': [3.4, 3.4, 3352.95], 'n': [0.71, 0.71, 35028.41]}",SingleLayer,na,25,0.0,na,na,na,na,-4.71855,0.0,"[[98.2, 34.0, 0.2, -0.0, 0.0, -0.0], [34.0, 98.2, 0.2, -0.0, -0.0, -0.0], [0.5, 0.5, -0.0, -0.0, 0.0, -0.0], [-0.0, -0.0, -0.0, 11.9, 0.0, 0.0], [0.0, -0.0, 0.0, 0.0, 0.2, 0.0], [-0.0, -0.0, -0.0, 0.0, 0.0, 0.2]]",0.0,na,na,JVASP-76619,4.041,3.646,0.01,PrBrO,6,P-3m1,OptB88vdW,164,na,na,na,-2.93608 +5.0,900,-55.92333333333334,na,na,"{'p': [0.0, 0.0, 3.36], 'n': [0.0, 0.0, 3.36]}",SingleLayer,na,20,0.0,na,na,71.85,na,-2.95189,3.799,na,4.0,1.042,na,JVASP-6766,na,0.0,na,HfFeCl6,8,P312,OptB88vdW,149,na,na,na,-1.36943 +185.01999999999998,1300,333.1166666666667,2.0337,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,na,na,-4.08116,0.0,na,0.0,na,na,JVASP-76353,na,1.335,na,BiAsO4,24,P2_1/c,OptB88vdW,14,na,na,na,-1.22841 +535.2133333333333,500,164.28333333333333,5.5819,na,"{'p': [0.64, 0.64, 144.14], 'n': [1.14, 1.14, 120.12]}",SingleLayer,na,25,0.0,na,na,na,na,-4.48271,0.0,"[[111.7, 26.8, 0.2, -0.0, 0.0, -0.0], [26.8, 111.7, 0.2, -0.0, -0.0, 0.0], [0.4, 0.4, 0.5, -0.0, -0.0, -0.0], [-0.0, -0.0, -0.0, 18.2, 0.0, -0.0], [-0.0, -0.0, -0.0, 0.0, 0.2, -0.0], [-0.0, 0.0, -0.0, -0.0, -0.0, 0.2]]",0.0,na,na,JVASP-76621,na,1.249,na,MoSe2,3,P-6m2,OptB88vdW,187,na,na,na,-0.59137 +136.62666666666667,700,162.48333333333332,2.0499,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-2.35548,0.0,na,0.0,na,na,JVASP-76355,3.206,2.356,2.8,NdBr3,8,Pmmn,OptB88vdW,59,na,na,na,-1.89484 +na,750,na,10.2074,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,61.07,na,-2.96384,1.702,na,1.999,0.007,na,JVASP-60482,na,0.0,na,TiCl3,8,C2/m,OptB88vdW,12,na,na,na,-1.59092 +na,600,na,4.6143,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,na,na,-2.13442,0.0,na,0.0,0.342,na,JVASP-60296,na,0.0,na,Nb3I8,11,P3m1,OptB88vdW,156,na,na,na,-0.45018 +3.1599999999999997,500,3.9866666666666664,4.6316,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,na,na,-4.43649,0.0,"[[87.4, 31.2, 0.2, -0.0, 0.0, 0.0], [31.2, 87.4, 0.2, -0.0, -0.0, 0.0], [0.5, 0.5, 0.5, -0.0, 0.0, 0.0], [-0.0, -0.0, -0.0, 12.0, 0.0, 0.0], [0.0, -0.0, 0.0, 0.0, 0.2, -0.0], [0.0, 0.0, 0.0, 0.0, -0.0, 0.2]]",0.0,na,na,JVASP-76622,na,0.0,na,NbSe2,3,P-6m2,OptB88vdW,187,na,na,na,-0.76432 +na,850,na,30.5568,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,65,0.0,na,na,na,na,-4.76347,0.0,na,0.0,na,na,JVASP-76360,0.0,0.0,na,TcP3,8,Pmn2_1,OptB88vdW,31,na,na,na,0.02398 +5.173333333333333,900,-50.77,2.2345,na,"{'p': [0.0, 0.0, 2.67], 'n': [0.0, 0.0, 2.67]}",SingleLayer,na,20,0.0,na,na,na,na,-2.73938,3.801,na,4.0,1.015,na,JVASP-13600,na,0.0,na,ZrFeCl6,8,P312,OptB88vdW,149,na,na,na,-1.35162 +na,850,na,1.6313,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-5.73817,0.0,na,0.0,na,na,JVASP-76628,na,2.636,na,WO2F2,5,Amm2,OptB88vdW,38,na,na,na,-2.5453 +578.9966666666667,600,244.25333333333333,6.3097,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,na,na,-3.74662,0.0,na,0.0,na,na,JVASP-76377,0.49,0.524,14.73,Nb2SiTe4,14,P2_1/c,OptB88vdW,14,na,na,na,-0.36763 +1570.29,850,246.17999999999998,2.1398,na,"{'p': [1.98, 1.98, 623.69], 'n': [0.77, 0.77, 7696.13]}",SingleLayer,na,30,0.0,na,na,na,na,-5.41035,0.0,na,0.0,na,na,JVASP-76634,5.496,4.804,0.0,YBrO,6,P4/nmm,OptB88vdW,129,na,na,na,-3.08739 +410.4433333333333,1150,259.53333333333336,6.2931,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-3.84252,2.903,na,2.993,na,na,JVASP-76637,na,0.299,na,CoTeO4,6,P2/m,OptB88vdW,10,na,na,na,-0.77281 +0.7233333333333333,500,7.3933333333333335,3.5074,na,"{'p': [0.0, 0.0, 0.76], 'n': [0.0, 0.0, 0.76]}",SingleLayer,na,35,0.0,na,na,98.27,na,-4.43646,0.0,"[[87.3, 31.1, 0.0, 0.0, 0.0, 0.0], [31.1, 87.3, 0.0, 0.0, 0.0, 0.0], [0.1, 0.1, -0.2, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 8.3, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.2, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.2]]",0.001,0.125,na,JVASP-655,na,0.0,na,NbSe2,3,P-6m2,OptB88vdW,187,na,na,na,-0.76429 +692.1100000000001,500,193.03,4.8756,na,"{'p': [0.98, 0.98, 75743.32], 'n': [0.56, 0.56, 8616.74]}",SingleLayer,na,30,0.0,na,na,90.98,na,-3.61617,0.0,"[[84.8, 21.5, 0.1, 0.0, 0.0, 0.0], [21.5, 84.8, 0.1, 0.0, 0.0, 0.0], [0.4, 0.4, 0.3, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 9.0, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.0,0.042,na,JVASP-670,na,1.229,na,Te2Mo,3,P-6m2,OptB88vdW,187,na,1.83,na,-0.1497 +90.20333333333333,900,263.6466666666667,na,na,"{'p': [1.15, 1.15, 176.34], 'n': [22.21, 22.21, 362468.93]}",SingleLayer,na,25,0.0,na,na,173.22,na,-3.05008,0.0,na,0.0,0.026,na,JVASP-9011,na,0.783,na,Li2CeAs2,5,P-3m1,OptB88vdW,164,na,na,na,-0.86547 +15.01,600,6.513333333333333,na,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,65,0.0,na,na,na,na,-3.08972,4.247,na,4.394,na,na,JVASP-6892,na,0.0,na,Co3As,4,P-6m2,OptB88vdW,187,na,na,na,0.9616 +190.06000000000003,500,37.29,16.7072,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,40,0.0,na,na,85.11,na,-1.07073,2.244,na,2.409,0.852,na,JVASP-14419,na,0.0,na,CoI2,3,P-3m1,OptB88vdW,164,na,na,na,0.10244 +1986.9633333333334,650,303.5466666666666,2.8088,na,"{'p': [3.19, 3.19, 83761.37], 'n': [0.26, 0.26, 506.52]}",SingleLayer,na,30,0.0,na,na,56.22,na,-1.60904,0.0,"[[86.0, 20.5, 0.1, 0.0, 0.0, 0.0], [20.5, 86.0, 0.1, 0.0, 0.0, 0.0], [0.3, 0.3, -2.4, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 11.9, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.4, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.4]]",0.0,0.001,na,JVASP-5944,na,2.45,na,GaS,4,P-6m2,OptB88vdW,187,na,3.32,na,-0.65025 +0.6866666666666666,700,74.76333333333334,na,na,"{'p': [0.0, 0.0, 0.08], 'n': [0.0, 0.0, 0.08]}",SingleLayer,na,55,0.0,na,na,na,na,-1.22591,0.556,na,0.983,na,na,JVASP-7039,na,0.0,na,Na3S2,5,P-3m1,OptB88vdW,164,na,na,na,-0.78907 +406.66,1300,254.96,1.4975,na,"{'p': [46.49, 251.73, 43065.72], 'n': [0.85, 2.44, 338.67]}",SingleLayer,na,25,0.0,na,na,25.86,na,-6.27344,0.0,na,0.0,0.0,na,JVASP-60545,5.45,4.456,0.0,Al2Si4O,17,P-1,OptB88vdW,2,na,na,na,-2.95244 +147.48666666666665,800,3.0799999999999996,18.9654,na,"{'p': [0.0, 0.0, 0.28], 'n': [0.0, 0.0, 0.28]}",SingleLayer,na,35,0.0,na,na,39.04,na,-4.92459,3.648000000000001,na,4.0,na,na,JVASP-8933,na,0.0,na,VClO,6,Pmmn,OptB88vdW,59,na,na,na,-1.87771 +na,850,na,1.8862,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,60,0.0,na,na,na,na,-3.81025,0.0,na,0.0,na,na,JVASP-9056,na,0.0,na,K2YO2,5,P-3m1,OptB88vdW,164,na,na,na,-2.24529 +na,750,na,2.246,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,75,0.0,na,na,43.57,na,-2.69345,0.0,na,0.0,0.015,na,JVASP-60396,na,0.0,na,Ca2CuBr2O2,7,P4/mmm,OptB88vdW,123,na,na,na,-2.05509 +na,1350,na,39.1762,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,na,na,-3.18264,1.166,"[[85.1, 35.5, -0.0, -0.0, -0.0, -0.0], [35.5, 85.1, -0.0, 0.0, 0.0, 0.0], [-0.0, -0.0, -0.1, -0.0, 0.0, -0.0], [-0.0, 0.0, -0.0, 8.8, -0.0, -0.0], [-0.0, 0.0, 0.0, -0.0, 0.1, -0.0], [-0.0, 0.0, -0.0, -0.0, -0.0, 0.1]]",1.317,na,na,JVASP-76387,0.0,0.0,na,CeSiI,6,P-3m1,OptB88vdW,164,na,na,na,-0.96781 +26.10666666666667,500,-25.973333333333333,na,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,70,0.0,na,na,345.59,na,-2.0539,0.0,na,0.0,0.001,na,JVASP-6874,na,0.0,na,CaSi,4,Pmma,OptB88vdW,51,na,na,na,-0.25898 +0.18333333333333335,500,11.39,14.6727,na,"{'p': [0.0, 0.0, 0.05], 'n': [0.0, 0.0, 0.05]}",SingleLayer,na,40,0.0,na,na,75.92,na,-4.33838,0.616,"[[65.7, 68.2, 0.1, 0.0, 0.0, 0.0], [68.2, 65.7, 0.1, 0.0, 0.0, 0.0], [0.2, 0.2, -0.4, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 6.7, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.2, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.2]]",0.616,na,na,JVASP-5974,na,0.0,na,CrSe,4,P4/nmm,OptB88vdW,129,na,na,na,-0.22516 +1496.6066666666666,650,261.42,na,na,"{'p': [1.88, 1.88, 2152.36], 'n': [0.31, 0.31, 387.45]}",SingleLayer,na,40,0.0,na,na,65.97,na,-0.59185,0.0,na,0.0,0.042,na,JVASP-6838,na,1.483,na,GaTe,4,P-6m2,OptB88vdW,187,na,2.21,na,-0.27752 +86.19333333333333,500,266.9166666666667,8.6261,na,"{'p': [0.5, 0.5, 9.22], 'n': [0.12, 0.12, 3.73]}",SingleLayer,na,65,0.0,na,na,70.53,na,-1.57651,0.0,na,0.0,0.331,na,JVASP-6298,na,0.909,na,Bi2Te2Se,5,P-3m1,OptB88vdW,164,na,na,na,-0.24079 +1120.4599999999998,500,290.62333333333333,5.1789,na,"{'p': [1.48, 1.48, 474.95], 'n': [1.29, 1.29, 2002.41]}",SingleLayer,na,40,0.0,na,na,na,na,-3.8833,0.0,na,0.0,na,na,JVASP-6841,na,0.66,na,TiSe2,3,P-6m2,OptB88vdW,187,na,na,na,-0.95024 +393.75333333333333,600,211.59333333333333,20.6285,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,50,0.0,na,na,na,na,-2.87215,0.0,na,0.0,na,na,JVASP-76528,0.214,0.323,5.84,Pr3OsI3,14,P2_1/m,OptB88vdW,11,na,na,na,-0.9545 +159.6833333333333,500,34.57,5.9565,na,"{'p': [0.0, 0.0, 0.07], 'n': [0.0, 0.0, 0.07]}",SingleLayer,na,25,0.0,na,na,74.28,na,-1.80728,3.795,"[[45.9, 14.1, -1.5, -0.0, 0.0, 0.0], [14.1, 45.9, -1.5, -0.0, -0.0, -0.0], [-3.9, -3.9, -5.9, -0.0, 0.0, 0.0], [-0.0, -0.0, -0.0, 6.0, 0.0, 0.0], [0.0, -0.0, 0.0, 0.0, -0.2, -0.0], [0.0, -0.0, 0.0, 0.0, -0.0, -0.2]]",4.0,0.049,na,JVASP-13576,na,0.0,na,FeBr2,3,P-3m1,OptB88vdW,164,na,na,na,-0.35903 +na,850,na,2.0036,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,na,na,-5.017,0.0,"[[125.9, 43.0, 0.5, -0.0, -0.0, -0.0], [43.0, 125.9, 0.5, -0.0, 0.0, -0.0], [1.2, 1.2, 1.3, -0.0, 0.0, -0.0], [-0.0, -0.0, -0.0, 15.8, 0.0, -0.0], [-0.1, 0.1, 0.0, 0.0, 0.1, -0.0], [-0.0, -0.0, -0.0, -0.0, -0.0, 0.1]]",0.0,na,na,JVASP-76640,na,4.666,na,TmClO,6,P-3m1,OptB88vdW,164,na,na,na,-3.30517 +20.69666666666667,500,2.1966666666666668,19.2875,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,75,0.0,na,na,na,na,-4.22345,0.0,na,0.0,na,na,JVASP-76389,na,0.0,na,TaSe3,16,P2_1/m,OptB88vdW,11,na,na,na,-0.5996 +60.583333333333336,750,-28.590000000000003,14.5644,na,"{'p': [0.0, 0.0, 0.02], 'n': [0.0, 0.0, 0.02]}",SingleLayer,na,40,0.0,na,na,86.28,na,-3.26188,2.7520000000000007,"[[80.2, 27.3, -6.2, 0.0, -0.0, -0.0], [27.3, 80.2, -6.2, 0.0, -0.0, 0.0], [-16.8, -16.8, -11.4, 0.0, -0.0, -0.0], [0.0, 0.0, 0.0, 7.7, 0.0, 0.0], [-0.0, -0.0, -0.0, 0.0, -0.2, -0.0], [-0.0, 0.0, -0.0, 0.0, -0.0, -0.2]]",2.581,0.024,na,JVASP-19517,na,0.0,na,NaMnP,6,P4/nmm,OptB88vdW,129,na,na,na,-0.37492 +114.29,850,10.176666666666668,15.7276,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,30,0.0,na,na,na,na,-4.52091,0.906,na,0.938,na,na,JVASP-76648,na,0.0,na,CoO2,3,C2/m,OptB88vdW,12,na,na,na,-0.92472 +na,800,na,2.0135,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,35.06,na,-5.68911,0.0,"[[116.1, 38.5, 0.5, 0.0, -0.1, 0.0], [38.5, 116.1, 0.5, -0.0, 0.1, 0.0], [1.2, 1.2, 1.5, -0.0, -0.0, 0.0], [0.0, -0.0, -0.0, 14.7, -0.0, -0.1], [-0.1, 0.1, -0.0, -0.0, 0.5, 0.0], [0.0, 0.0, 0.0, -0.1, 0.0, 0.5]]",0.0,0.003,na,JVASP-60402,4.82,4.42,0.0,YClO,6,P-3m1,OptB88vdW,164,na,na,na,-3.28461 +191.30999999999997,500,2.703333333333333,19.6062,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,55,0.0,na,na,na,na,-4.40723,0.0,"[[74.1, 14.4, -0.2, 0.0, 0.0, 0.0], [14.4, 74.1, -0.2, 0.0, -0.0, 0.0], [-0.5, -0.5, -0.5, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 11.2, 0.0, 0.0], [0.0, -0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.0,na,na,JVASP-5899,na,0.0,na,NbSe2,3,P-3m1,OptB88vdW,164,na,na,na,-0.73506 +117.30666666666666,1350,270.72333333333336,1.4736,na,"{'p': [4.59, 4.58, 91828.06], 'n': [11.21, 7.66, 18261282.51]}",SingleLayer,na,20,0.0,na,na,na,na,-6.91288,0.0,na,0.0,na,na,JVASP-76390,2.223,2.469,18.19,UCO5,7,Pmm2,OptB88vdW,25,na,na,na,-2.33922 +701.57,900,137.10666666666665,1.6183,na,"{'p': [0.56, 0.56, 383.32], 'n': [0.67, 0.67, 119.87]}",SingleLayer,na,20,0.0,na,na,na,na,-7.72358,0.0,na,0.0,na,na,JVASP-76649,5.917,4.384,0.0,BN,2,P-6m2,OptB88vdW,187,na,na,na,-1.31309 +376.3933333333334,500,236.06000000000003,3.8932,na,"{'p': [2.03, 2.41, 155.91], 'n': [0.47, 2.06, 230.61]}",SingleLayer,na,35,0.0,na,na,82.06,na,-1.40829,0.0,na,0.0,0.051,na,JVASP-60548,na,1.3,na,HgPSe3,10,P-1,OptB88vdW,2,na,na,na,0.04566 +561.7399999999999,700,162.63,2.0506,na,"{'p': [5.73, 0.42, 988.29], 'n': [1.12, 1.93, 29922.28]}",SingleLayer,na,30,0.0,na,na,na,na,-2.35548,0.0,na,0.0,0.022,na,JVASP-60300,3.206,3.021,2.8,NdBr3,8,Pmmn,OptB88vdW,59,na,na,na,-1.89485 +na,850,na,20.8426,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-4.65756,3.656,na,3.999,na,na,JVASP-76412,na,0.0,na,VBrO,6,Pmmn,OptB88vdW,59,na,na,na,-1.69222 +11.299999999999999,600,2.75,na,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,40,0.0,na,na,168.46,na,-3.26264,3.628,na,3.341,0.059,na,JVASP-6664,na,0.0,na,CaMnSi,6,P4/nmm,OptB88vdW,129,na,na,na,-0.18592 +na,650,na,18.8078,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,75,0.0,na,na,na,na,-4.74839,0.0,na,0.0,na,na,JVASP-76651,0.0,0.0,na,Ta2PdS6,9,C2/m,OptB88vdW,12,na,na,na,-0.84656 +115.60333333333334,800,13.209999999999999,15.7594,na,"{'p': [0.0, 0.0, 0.02], 'n': [0.0, 0.0, 0.02]}",SingleLayer,na,30,0.0,na,na,na,na,-4.52076,0.908,na,0.94,na,na,JVASP-76414,na,0.0,na,CoO2,3,P-3m1,OptB88vdW,164,na,na,na,-0.92456 +90.79,500,-23.47333333333333,13.008,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,50,0.0,na,na,na,na,-4.06836,0.0,na,0.0,na,na,JVASP-76652,na,0.0,na,Ta2PdSe6,9,C2/m,OptB88vdW,12,na,na,na,-0.60095 +na,500,na,4.0623,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-1.16552,0.0,na,0.0,na,na,JVASP-76415,2.02,1.718,22.52,BiTeBr,3,P3m1,OptB88vdW,156,na,na,na,-0.39859 +1388.2266666666667,600,76.60000000000001,7.484,na,"{'p': [0.13, 0.13, 1.09], 'n': [0.12, 0.12, 0.82]}",SingleLayer,na,70,0.0,na,na,na,na,-1.53049,0.0,na,0.001,na,na,JVASP-76659,na,1.106,na,SnSe,4,P4/nmm,OptB88vdW,129,na,na,na,-0.3272 +838.7166666666667,850,358.8733333333333,na,na,"{'p': [1.67, 1.67, 6050.47], 'n': [1.23, 1.23, 508.75]}",SingleLayer,na,25,0.0,na,na,59.97,na,-6.85774,0.0,na,0.0,0.0,na,JVASP-5902,na,2.625,na,TiO2,3,P-3m1,OptB88vdW,164,na,4.04,na,-3.02047 +na,950,na,20.2135,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-6.61619,2.022,"[[159.3, 34.1, 0.1, 0.0, -0.0, 0.0], [34.1, 159.3, 0.1, 0.0, -0.0, 0.0], [0.3, 0.3, 0.2, 0.0, -0.0, 0.0], [0.0, 0.0, 0.0, 24.2, 0.0, 0.0], [-0.0, -0.0, -0.0, 0.0, 0.1, -0.0], [0.0, 0.0, 0.0, 0.0, -0.0, 0.1]]",2.003,na,na,JVASP-76416,na,0.0,na,UTeN,6,P4/nmm,OptB88vdW,129,na,na,na,-1.27471 +1633.2233333333334,500,219.3066666666667,4.5899,na,"{'p': [1.44, 1.97, 661.77], 'n': [0.14, 1.44, 63.23]}",SingleLayer,na,45,0.0,na,na,na,na,-3.42071,0.0,na,0.0,na,na,JVASP-76667,na,1.402,na,SiAs2,12,Pmc2_1,OptB88vdW,26,na,na,na,0.02633 +na,650,na,10.617,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,55,0.0,na,na,na,na,-4.90028,0.003,na,0.007,na,na,JVASP-76417,na,0.0,na,TiNbS4,6,P2/m,OptB88vdW,10,na,na,na,-1.16325 +2483.47,700,256.84666666666664,3.7639,na,"{'p': [1.85, 2.77, 1889.02], 'n': [0.52, 1.11, 27.82]}",SingleLayer,na,35,0.0,na,na,na,na,-4.14805,0.0,na,0.0,0.0,na,JVASP-60301,na,1.988,na,SiP,12,C2/m,OptB88vdW,12,na,na,na,-0.08291 +na,750,na,30.5566,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,65,0.0,na,na,na,na,-4.76361,0.0,na,0.0,na,na,JVASP-60305,na,0.0,na,TcP3,8,Pmn2_1,OptB88vdW,31,na,na,na,0.02384 +260.08666666666664,1300,362.72333333333336,1.6298,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-5.03464,0.0,na,0.0,na,na,JVASP-76418,5.087,4.207,0.0,SbPO4,12,P2_1/m,OptB88vdW,11,na,na,na,-1.87862 +262.77333333333337,750,335.5266666666667,1.5197,na,"{'p': [706.09, 706.09, 11197680.57], 'n': [5.2, 5.2, 148141.71]}",SingleLayer,na,20,0.0,na,na,154.11,na,-4.05534,0.0,na,0.0,0.009,na,JVASP-60241,4.83,3.987,0.0,Ge3Sb2O9,14,P-6,OptB88vdW,174,na,na,na,-1.45837 +1301.39,800,268.28666666666663,na,na,"{'p': [1.71, 1.71, 4084.74], 'n': [0.78, 0.78, 56975.03]}",SingleLayer,na,25,0.0,na,na,64.71,na,-4.75246,0.0,na,0.0,0.016,na,JVASP-6250,na,4.765,na,NdBrO,6,P4/nmm,OptB88vdW,129,na,na,na,-2.99382 +na,500,na,4.0951,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,95,0.0,na,na,1063.37,na,-2.84788,0.0,na,0.0,na,na,JVASP-75094,na,0.0,na,Al3Ir,4,P-6m2,OptB88vdW,187,na,na,na,0.37717 +765.6733333333333,500,129.86333333333334,29.896,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,na,na,-2.89179,5.662999999999999,na,5.998,na,na,JVASP-76420,0.0,0.559,na,CrSiTe3,10,P-31m,OptB88vdW,162,na,na,na,-0.0545 +na,850,na,6.4656,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,na,na,-5.23248,0.002,na,0.002,na,na,JVASP-75097,na,0.0,na,TiClO,6,Pmmn,OptB88vdW,59,na,na,na,-2.42053 +na,950,na,2.1418,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,110.99,na,-2.37511,0.0,na,0.002,na,na,JVASP-75194,na,2.7,na,AgPb4ClO4,20,P4/n,OptB88vdW,85,na,na,na,-0.98241 +860.8133333333332,500,217.91666666666666,3.7279,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,196.43,na,0.62323,0.0,na,0.0,na,na,JVASP-75099,1.357,0.978,33.93,I,4,Pbam,OptB88vdW,55,na,na,na,0.19643 +575.3066666666667,1300,354.84,1.6662,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,57.21,na,-2.6751,0.0,na,0.0,na,na,JVASP-75198,na,3.004,na,CaCl2O4,14,P4/nbm,OptB88vdW,125,na,na,na,-0.88719 +398.91,950,276.16333333333336,1.416,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,45.56,na,-3.4745,0.0,na,0.0,na,na,JVASP-75107,3.307,2.285,2.22,KH2N,8,Pmmn,OptB88vdW,59,na,na,na,-0.35644 +na,750,na,1.8814,na,"{'p': [4.03, 0.71, 177922.81], 'n': [1.17, 1.23, 2114.4]}",SingleLayer,na,30,0.0,na,na,177.25,na,-3.28859,0.0,na,0.0,0.091,na,JVASP-60403,4.752,1.919,0.0,SrBiBrO2,10,Pmma,OptB88vdW,51,na,na,na,-1.93826 +269.3766666666666,850,252.49666666666667,2.2728,na,"{'p': [1.73, 1.81, 351.4], 'n': [1.31, 2.22, 4252.39]}",SingleLayer,na,20,0.0,na,na,124.85,na,-4.53671,0.0,na,0.0,na,na,JVASP-75203,na,2.219,na,VPbClO3,12,P2_1/m,OptB88vdW,11,na,na,na,-1.88883 +na,850,na,7.0173,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,75,0.0,na,na,138.36,na,-3.2161,0.0,na,0.0,na,na,JVASP-75113,0.0,0.0,na,BiPd2O4,14,P4/nmm,OptB88vdW,129,na,na,na,-0.57863 +0.87,1200,-37.026666666666664,19.2434,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,23.59,na,-4.16126,8.149999999999999,na,8.599,na,na,JVASP-75204,na,0.0,na,Sr2FeBrO3,14,P4/nmm,OptB88vdW,129,na,na,na,-2.36415 +na,500,na,2.722,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-0.39688,0.0,"[[15.3, 4.4, -0.1, 0.0, -0.0, 0.0], [4.4, 15.3, -0.1, 0.0, 0.0, 0.0], [-0.2, -0.2, -0.2, 0.0, -0.0, 0.0], [0.0, 0.0, 0.0, 2.3, -0.0, -0.0], [-0.0, 0.0, -0.0, -0.0, -0.1, -0.0], [0.0, 0.0, 0.0, -0.0, -0.0, -0.1]]",0.0,na,na,JVASP-76440,3.007,2.098,4.56,PbI2,3,P-3m1,OptB88vdW,164,na,na,na,-0.57103 +169.63,1250,323.82666666666665,22.7192,na,"{'p': [3.15, 7.83, 33271.81], 'n': [1.72, 2.44, 19498.51]}",SingleLayer,na,20,0.0,na,na,98.1,na,-3.86796,5.432,"[[41.3, 12.3, 1.8, -0.0, -0.2, -0.0], [12.3, 74.5, 2.7, 0.0, -0.1, 0.0], [4.2, 6.3, 2.2, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 4.8, 0.0, -0.0], [-0.4, -0.2, 0.0, 0.0, 0.0, -0.0], [-0.0, -0.0, 0.0, -0.0, -0.0, 0.1]]",5.999,na,na,JVASP-75319,0.0,0.536,na,LiVF3,10,P2_1/m,OptB88vdW,11,na,na,na,-2.64125 +na,950,na,22.357,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,54.02,na,-6.46889,3.688,na,4.0,na,na,JVASP-75119,0.0,0.0,na,UBrN,6,P4/nmm,OptB88vdW,129,na,na,na,-1.56973 +977.1266666666667,850,249.00666666666666,2.2976,na,"{'p': [0.62, 0.62, 1130.92], 'n': [1.81, 1.81, 25033.14]}",SingleLayer,na,30,0.0,na,na,50.76,na,-4.44703,0.0,na,0.0,0.03,na,JVASP-13527,na,3.847,na,NdIO,6,P4/nmm,OptB88vdW,129,na,na,na,-2.79305 +na,950,na,8.9831,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,85,0.0,na,na,540.34,na,-1.01096,0.0,na,0.0,na,na,JVASP-75042,na,0.0,na,LiBe,4,Pmmn,OptB88vdW,59,na,na,na,0.6745 +111.62666666666667,1250,137.60333333333332,8.6011,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,57.94,na,-4.30886,0.909,na,0.938,na,na,JVASP-75320,0.04,0.106,5.84,Co3TeO8,12,P-3m1,OptB88vdW,164,na,na,na,-0.97591 +294.23333333333335,1200,274.75333333333333,na,na,"{'p': [2.69, 3.75, 40621.22], 'n': [1.32, 1.55, 2141.05]}",SingleLayer,na,25,0.0,na,na,54.29,na,-4.37253,0.0,na,0.0,0.003,na,JVASP-6454,na,3.015,na,As2O3,10,Pc,OptB88vdW,7,na,na,na,-1.21346 +na,600,na,7.107,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,na,na,-0.62071,0.0,"[[43.9, 23.9, 0.0, -0.0, 0.0, -0.0], [23.9, 43.9, 0.0, -0.0, 0.0, -0.0], [0.0, 0.0, -0.1, -0.0, 0.0, -0.0], [-0.0, -0.0, -0.0, 4.2, 0.0, -0.0], [0.0, 0.0, 0.0, 0.0, -0.6, 0.0], [-0.0, -0.0, -0.0, -0.0, 0.0, -0.6]]",0.0,na,na,JVASP-75120,0.368,0.295,8.45,CI2,3,P-6m2,OptB88vdW,187,na,na,na,1.77086 +na,900,na,30.6435,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,903.94,na,-6.50306,0.0,na,0.0,na,na,JVASP-75043,0.0,0.0,na,ZrN2,3,P-3m1,OptB88vdW,164,na,na,na,-0.01497 +182.47666666666666,650,-41.48666666666667,5.0215,na,"{'p': [0.0, 0.0, 0.2], 'n': [0.0, 0.0, 0.2]}",SingleLayer,na,55,0.0,na,na,69.43,na,-4.4921,0.7439999999999999,na,0.865,na,na,JVASP-75044,0.428,0.0,11.43,VS2,3,P-6m2,OptB88vdW,187,na,na,na,-0.88971 +na,900,na,2.348,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,128.71,na,-3.90552,1.875,"[[0.0, 0.0, 5e-324, 1e-323, 1e-323, 1.5e-323], [0.0, 1e-323, 5e-324, 0.0, 1e-323, 5e-324], [0.0, 0.0, 0.0, 0.0, 0.0, 0.0], [0.0, 5e-324, 5e-324, 1e-323, 1.5e-323, 1.5e-323], [5e-324, 0.0, 1e-323, 5e-324, 0.0, 1e-323], [0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]",1.999,na,na,JVASP-75327,0.0,0.02,na,LiVF4,6,P2/m,OptB88vdW,10,na,na,na,-2.91616 +526.7199999999999,500,118.97000000000001,3.4744,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,178.97,na,-1.53337,0.0,"[[30.7, 0.0, -0.1, -0.0, -0.0, 0.0], [0.0, 57.6, -0.6, 0.0, -0.0, -0.0], [-0.2, -1.6, 0.1, 0.0, -0.0, 0.0], [-0.0, 0.0, 0.0, 5.1, 0.0, 0.0], [-0.0, -0.0, -0.0, 0.0, 0.1, -0.0], [0.0, -0.0, 0.0, 0.0, -0.0, 0.1]]",0.0,na,na,JVASP-75209,0.754,0.674,25.48,Ca3SiBr2,6,Pmmm,OptB88vdW,47,na,na,na,-1.16574 +338.71333333333337,1250,274.24666666666667,1.4235,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,60.62,na,-4.36118,0.0,na,0.0,na,na,JVASP-75124,na,2.428,na,SrH4O3,16,Pmc2_1,OptB88vdW,26,na,na,na,-1.54136 +936.0033333333332,1250,335.96666666666664,2.303,na,"{'p': [2.26, 1.98, 168.27], 'n': [1.95, 2.64, 95.72]}",SingleLayer,na,45,0.0,na,na,66.31,na,-4.27699,0.0,na,0.0,0.012,na,JVASP-60308,4.347,3.998,0.0,SbAsO3,10,P1,OptB88vdW,1,na,na,na,-1.30635 +na,1000,na,1.6516,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,120,0.0,na,na,84.59,na,-5.77978,0.0,na,0.0,na,na,JVASP-75047,na,0.0,na,C3N,4,Pmmm,OptB88vdW,47,na,na,na,1.95686 +na,650,na,55.604,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,44.47,na,-3.40421,1.911,na,2.115,na,na,JVASP-75214,na,0.0,na,V2NiSe4,7,P-3m1,OptB88vdW,164,na,na,na,-0.49163 +358.41333333333336,500,116.13333333333333,37.3464,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,na,na,-2.25652,5.65,na,5.987,na,na,JVASP-76444,0.0,0.405,na,CrGeTe3,10,P-31m,OptB88vdW,162,na,na,na,-0.03971 +na,500,na,21.9191,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,95,0.0,na,na,na,na,-2.47264,0.0,na,0.0,na,na,JVASP-60315,na,0.0,na,NbTe5Pd,14,Pmma,OptB88vdW,51,na,na,na,-0.24403 +1435.9266666666665,500,256.13,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,52.73,na,-1.27655,0.0,na,0.001,na,na,JVASP-75048,na,0.457,na,In2Se3,5,P-3m1,OptB88vdW,164,na,na,na,-0.42718 +na,650,na,3.9326,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,na,na,-5.13669,0.0,na,0.001,0.005,na,JVASP-60407,1.667,0.0,29.79,NbS2,3,C2,OptB88vdW,5,na,na,na,-1.03011 +1155.4066666666665,750,193.57333333333335,31.0668,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,90,0.0,na,na,27.17,na,-1.44973,0.0,na,0.0,na,na,JVASP-75125,na,0.318,na,Ge5Te8As2,15,P-3m1,OptB88vdW,164,na,na,na,-0.03517 +322.07666666666665,650,234.33333333333334,2.564,na,"{'p': [0.65, 0.65, 82.05], 'n': [0.25, 0.25, 16.68]}",SingleLayer,na,65,0.0,na,na,89.18,na,-0.3205,0.0,na,0.001,na,na,JVASP-75215,na,2.16,na,ZnSe,4,P4/nmm,OptB88vdW,129,na,na,na,-0.44521 +na,500,na,20.8829,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,90,0.0,na,na,91.1,na,-2.85882,0.0,na,0.0,na,na,JVASP-75050,0.0,0.0,na,YSb2,3,C222,OptB88vdW,21,na,na,na,-0.13823 +554.0266666666666,700,249.16666666666666,2.8967,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,93.93,na,-0.60619,0.0,na,0.002,na,na,JVASP-75132,2.37,2.097,15.18,InTeBr,12,P2_1/c,OptB88vdW,14,na,na,na,-0.45699 +210.98333333333332,950,307.87333333333333,1.8214,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,85.87,na,-0.40743,0.0,na,0.0,na,na,JVASP-75218,na,0.892,na,AgAuCl4,12,P2/c,OptB88vdW,13,na,na,na,-0.28463 +200.60333333333332,750,313.71000000000004,25.6577,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,54.87,na,-5.48033,3.7280000000000006,"[[173.6, 59.7, 6.9, -0.0, -0.4, 0.0], [59.7, 173.6, 6.9, 0.0, 0.4, -0.0], [17.5, 17.5, 12.0, 0.0, -0.0, -0.0], [-0.0, 0.0, 0.0, 22.4, 0.0, -0.4], [-0.9, 0.9, -0.0, 0.0, 2.0, -0.0], [0.0, -0.0, -0.0, -0.4, -0.0, 2.0]]",4.0,na,na,JVASP-75331,na,0.679,na,VOF,6,P-3m1,OptB88vdW,164,na,na,na,-2.54316 +na,500,na,22.3009,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,80,0.0,na,na,96.24,na,-2.1717,0.0,na,0.0,na,na,JVASP-75051,na,0.0,na,DySb2,3,C222,OptB88vdW,21,na,na,na,-0.11722 +na,1150,na,4.3786,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,50,0.0,na,na,106.05,na,-1.94209,0.0,na,0.0,na,na,JVASP-75052,na,0.0,na,TbCu2S2,5,P-3m1,OptB88vdW,164,na,na,na,-0.78538 +243.80999999999997,1300,389.0333333333333,2.103,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,152.71,na,-4.7186,0.0,na,0.0,na,na,JVASP-75346,na,2.051,na,AlBiO3,20,P2_1/c,OptB88vdW,14,na,na,na,-2.10452 +40.27,700,272.82,2.6881,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,48.54,na,-2.35991,0.0,na,0.0,na,na,JVASP-75219,2.268,2.922,17.24,BaThBr6,16,Pmma,OptB88vdW,51,na,na,na,-1.92317 +na,750,na,43.1056,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,52.76,na,-6.21078,7.562000000000001,"[[85.2, 15.4, -0.7, 0.0, 0.0, -0.0], [15.4, 85.2, -0.7, 0.0, 0.0, -0.0], [-1.7, -1.7, 0.1, 0.0, 0.0, -0.0], [0.0, 0.0, 0.0, 14.2, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, -0.9, 0.0], [-0.0, -0.0, -0.0, 0.0, 0.0, -0.9]]",8.001,na,na,JVASP-60413,0.0,0.0,na,NpIO,6,P4/nmm,OptB88vdW,129,na,na,na,-2.28984 +na,950,na,2.2558,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,90,0.0,na,na,145.47,na,-4.0031,0.0,na,0.0,na,na,JVASP-75054,na,0.0,na,AuN2,3,P2/m,OptB88vdW,10,na,na,na,0.76136 +12.486666666666666,1000,271.2766666666667,2.3808,na,"{'p': [22.3, 22.3, 3304016.34], 'n': [66.5, 66.5, 62018937.48]}",SingleLayer,na,25,0.0,na,na,124.62,na,-3.15813,4.8020000000000005,"[[5e-324, 2.1219957905e-314, 0.0, 5e-324, 5e-324, 0.0], [0.0, 0.0, 5e-324, 0.0, 0.0, 2.1219957905e-314], [5e-324, nan, 2.1219957905e-314, 2.1219957905e-314, 2.121995791e-314, 2.1219957905e-314], [0.0, 2.1219957905e-314, 5e-324, 0.0, 2.1219957905e-314, 2.1219957905e-314], [5e-324, 0.0, 0.0, 2.1219957905e-314, 0.0, 0.0], [5e-324, 2.1219957905e-314, nan, 5e-324, 5e-324, 2.121995791e-314]]",5.0,na,na,JVASP-75350,0.027,1.729,5.84,LiFeF4,6,P-42m,OptB88vdW,111,na,na,na,-2.37387 +554.0166666666667,850,262.74666666666667,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,98.4,na,-1.42542,0.0,na,0.0,na,na,JVASP-75220,na,5.593,na,MgCl2,6,Cmmm,OptB88vdW,65,na,na,na,-1.7152 +na,500,na,6.3017,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-4.25787,0.0,na,0.0,na,na,JVASP-75057,1.295,1.312,33.33,Te2W,3,P-6m2,OptB88vdW,187,na,na,na,-0.13396 +na,650,na,12.4816,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,50,0.0,na,na,59.73,na,-4.48154,0.31,na,0.344,na,na,JVASP-60416,na,0.0,na,VS2,3,P-3m1,OptB88vdW,164,na,na,na,-0.87915 +na,1000,na,5.9281,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,54.79,na,-4.92846,1.772,na,1.969,na,na,JVASP-75357,0.0,0.46,na,NiC2S2N2,7,C2/m,OptB88vdW,12,na,na,na,0.23814 +na,800,na,2.0121,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,na,na,-5.68911,0.0,"[[116.1, 38.5, 0.5, 0.0, -0.1, 0.0], [38.5, 116.1, 0.5, -0.0, 0.1, 0.0], [1.2, 1.2, 1.5, -0.0, -0.0, 0.0], [0.0, -0.0, -0.0, 14.7, -0.0, -0.1], [-0.1, 0.1, -0.0, -0.0, 0.5, 0.0], [0.0, 0.0, 0.0, -0.1, 0.0, 0.5]]",0.0,na,na,JVASP-76457,4.82,4.42,0.0,YClO,6,P-3m1,OptB88vdW,164,na,na,na,-3.28461 +na,750,na,4.3821,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,234.05,na,-1.8316,1.5699999999999994,"[[14.3, 6.4, 0.4, 0.0, -0.0, -0.0], [6.4, 14.3, 0.4, 0.0, -0.0, 0.0], [1.3, 1.3, 0.3, 0.0, -0.0, 0.0], [0.0, 0.0, 0.0, 1.3, -0.0, 0.0], [-0.0, 0.0, -0.0, -0.0, 0.2, 0.0], [-0.0, 0.0, 0.0, 0.0, 0.0, 0.2]]",1.887,na,na,JVASP-75134,0.0,0.36,na,Rb3Nb2Br9,14,P-6m2,OptB88vdW,187,na,na,na,-1.12593 +581.4866666666667,650,166.27,3.044,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,230.9,na,-0.6431,0.0,na,0.001,na,na,JVASP-75221,0.937,0.472,31.25,CdBiSe2I,10,P2/m,OptB88vdW,10,na,na,na,-0.25377 +565.66,1350,336.92,1.5616,na,"{'p': [14.93, 3.79, 444772.09], 'n': [0.82, 0.72, 5170.04]}",SingleLayer,na,20,0.0,na,na,22.81,na,-5.16972,0.0,"[[0.0, 0.0, 5e-324, 5e-324, 1e-323, 1e-323], [0.0, 1e-323, 0.0, 1e-323, 0.0, 1e-323], [0.0, 0.0, 0.0, 0.0, 0.0, 0.0], [0.0, 0.0, 5e-324, 5e-324, 1e-323, 1e-323], [5e-324, 1.5e-323, 5e-324, 1.5e-323, 5e-324, 1.5e-323], [0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]",0.0,na,na,JVASP-75058,8.774,7.314,0.0,B2S2O9,13,C2,OptB88vdW,5,na,na,na,-1.64707 +na,700,na,12.5854,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,66.61,na,-3.75285,8.988,na,9.892,na,na,JVASP-75361,0.0,0.248,na,MnPS3,10,P-31m,OptB88vdW,162,na,na,na,-0.33071 +715.0833333333334,850,308.7033333333333,2.4529,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,98.57,na,-0.33047,0.0,na,0.0,na,na,JVASP-75135,1.149,0.891,33.83,LiAuI4,6,P-1,OptB88vdW,2,na,na,na,-0.36595 +803.43,850,255.9,10.8733,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,60,0.0,na,na,79.09,na,-0.80688,0.0,na,0.0,na,na,JVASP-75222,na,0.451,na,TePdI2,8,P-1,OptB88vdW,2,na,na,na,-0.16276 +na,3800,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,45,0.0,na,na,948.93,na,0.60333,0.0,na,0.0,na,na,JVASP-75061,na,0.053,na,CdS,2,P3m1,OptB88vdW,156,na,na,na,0.5904 +25.98,650,44.03666666666667,12.8273,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,73.91,na,-3.16096,8.798,na,9.657,na,na,JVASP-75366,na,0.036,na,MnPSe3,10,P-31m,OptB88vdW,162,na,na,na,-0.1298 +789.8966666666666,750,192.99333333333334,3.5732,na,"{'p': [1.6, 1.6, 144.47], 'n': [0.22, 0.22, 6296.95]}",SingleLayer,na,35,0.0,na,na,27.56,na,-2.36481,0.0,na,0.0,na,na,JVASP-75137,na,1.465,na,Mg2Al2Se5,9,P-3m1,OptB88vdW,164,na,na,na,-1.08852 +na,700,na,14.0119,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,68.48,na,-3.41865,7.238,na,7.792,na,na,JVASP-75223,0.0,0.0,na,FePS3,10,P-31m,OptB88vdW,162,na,na,na,-0.2105 +na,600,na,20.2488,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,45,0.0,na,na,45.81,na,-3.9574,0.0,na,0.025,na,na,JVASP-75063,na,0.0,na,Nb2CuS4,7,P-3m1,OptB88vdW,164,na,na,na,-0.51788 +na,800,na,12.7076,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,60,0.0,na,na,na,na,0.71389,0.0,na,0.0,na,na,JVASP-75224,0.0,0.0,na,F,1,P4/mmm,OptB88vdW,123,na,na,na,0.51658 +368.8966666666667,1250,253.0633333333333,1.6606,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,91.38,na,-4.65515,0.0,na,0.0,na,na,JVASP-75372,na,4.261,na,LuH2ClO2,12,P2_1/m,OptB88vdW,11,na,na,na,-2.12648 +158.08,1350,338.47333333333336,2.7761,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,46.45,na,-3.74035,0.0,na,0.0,na,na,JVASP-75138,3.681,1.169,0.62,Bi2SeO5,32,Aem2,OptB88vdW,39,na,na,na,-1.20421 +na,500,na,36.1974,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,80,0.0,na,na,115.5,na,-4.0204,0.0,na,0.0,na,na,JVASP-75225,0.0,0.0,na,TaTe2,9,C2/m,OptB88vdW,12,na,na,na,-0.23061 +318.82666666666665,800,194.5333333333333,2.4853,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,81.03,na,-1.84554,0.0,na,0.0,na,na,JVASP-75375,2.996,2.748,4.65,SnClF,6,P4/nmm,OptB88vdW,129,na,na,na,-1.68232 +41.980000000000004,650,-8.309999999999999,3.9326,na,"{'p': [0.0, 0.0, 0.06], 'n': [0.0, 0.0, 0.06]}",SingleLayer,na,35,0.0,na,na,na,na,-5.13669,0.0,na,0.001,na,na,JVASP-76462,1.667,0.0,29.79,NbS2,3,C2,OptB88vdW,5,na,na,na,-1.03011 +na,650,na,15.045,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,60,0.0,na,na,77.46,na,-1.21168,0.224,"[[83.49816949780241, 12.282577513716106, 25.53821008662603, 12.283373201341078, 34.691853029041496, 81.83275202138249], [54.9749352377175, 0.7008195554610808, 35.40428493383281, 18.27054200728748, 28.78722894456307, 28.788311971150222], [35.402886657065935, 83.50291474492089, 0.7015525257003503, 43.75333938665507, 81.83169440510908, 0.00027583779953488374], [29.4780125412222, 29.479098506055422, 25.537854102152195, 58.84464912531392, 34.69250284039407, 19.09527574107092], [83.50178484006416, 0.7012776621708809, 43.75351692565404, 81.82831031905862, 11.60649397584622, 26.451821512920937], [35.403539184766956, 18.27097120494242, 54.97673809679621, 54.11872437564301, 0.000735568337788095, 34.693245484911074]]",0.354,na,na,JVASP-75231,0.0,0.0,na,CdInGaS4,7,P3m1,OptB88vdW,156,na,na,na,-0.31966 +482.70000000000005,800,71.97333333333333,25.1829,na,"{'p': [3.28, 0.37, 981.54], 'n': [1.7, 0.79, 3339.1]}",SingleLayer,na,60,0.0,na,na,38.93,na,-4.86972,5.675999999999999,"[[5e-324, nan, 0.0, 2.1219957905e-314, 2.121995791e-314, 0.0], [0.0, 0.0, nan, 0.0, 0.0, 2.1219957915e-314], [5e-324, 2.121995791e-314, 0.0, 2.1219957905e-314, nan, 0.0], [0.0, 5e-324, 2.121995791e-314, 0.0, 2.1219957905e-314, nan], [nan, 0.0, 0.0, 4.2439915814e-314, 0.0, 0.0], [0.0, 2.1219957905e-314, nan, 0.0, 5e-324, 2.121995791e-314]]",6.0,0.002,na,JVASP-27906,na,0.584,na,CrClO,6,Pmmn,OptB88vdW,59,na,na,na,-1.63153 +473.3233333333333,1250,356.1366666666667,1.7057,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,58.19,na,-3.68126,0.0,na,0.0,na,na,JVASP-75140,4.798,4.105,0.0,KAsO2,16,Pbcm,OptB88vdW,57,na,na,na,-1.61397 +na,700,na,1.2683,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,60,0.0,na,na,199.88,na,-0.39674,0.0,"[[14.5, 4.1, 0.6, -0.0, -0.0, 0.0], [4.1, 14.5, 0.6, -0.0, 0.0, 0.0], [1.4, 1.4, 1.3, -0.0, 0.0, 0.0], [-0.0, -0.0, -0.0, 2.2, 0.0, -0.0], [-0.1, 0.1, 0.0, 0.0, 0.2, -0.0], [0.0, 0.0, 0.0, -0.0, -0.0, 0.2]]",0.0,na,na,JVASP-75378,na,0.0,na,Na2Cl,3,P-3m1,OptB88vdW,164,na,na,na,-0.9799 +na,850,na,18.4921,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,34.5,na,-4.27234,8.024,na,8.458,na,na,JVASP-75253,0.0,0.0,na,Sr2FeClO3,14,P4/nmm,OptB88vdW,129,na,na,na,-2.44028 +na,650,na,2.7061,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,185,0.0,na,na,na,na,-1.93648,0.0,na,0.0,na,na,JVASP-75379,na,0.0,na,S,1,P4/mmm,OptB88vdW,123,na,na,na,0.56657 +6.216666666666668,850,342.8066666666667,3.5096,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,45,0.0,na,na,163.74,na,-1.44856,1.522,"[[247.7, 26.3, 0.0, -0.0, 0.0, 0.0], [26.3, 93.6, 0.0, -0.0, -0.0, -0.0], [0.0, 0.0, -0.1, 0.0, 0.0, 0.0], [0.0, -0.0, 0.0, -66.8, -0.0, -0.0], [0.0, -0.0, 0.0, -0.0, -18.3, -0.0], [0.0, -0.0, 0.0, -0.0, -0.0, 0.1]]",1.984,na,na,JVASP-75065,na,0.649,na,YbCl3,8,C2/m,OptB88vdW,12,na,na,na,-1.61059 +534.9666666666667,650,265.59666666666664,2.9849,na,"{'p': [1.31, 1.09, 351.44], 'n': [1.07, 1.04, 381.92]}",SingleLayer,na,40,0.0,na,na,113.2,na,-1.01129,0.0,na,0.0,na,na,JVASP-75254,2.068,1.082,21.49,TlInS2,4,P1,OptB88vdW,1,na,na,na,-0.13671 +na,850,na,3.9772,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,70,0.0,na,na,111.61,na,-1.51965,0.0,na,0.0,na,na,JVASP-75066,na,0.0,na,YbCl3,8,Pmmn,OptB88vdW,59,na,na,na,-1.68169 +43.25333333333334,500,-22.72,na,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,60,0.0,na,na,90.77,na,-1.40687,0.0,na,0.0,0.079,na,JVASP-6805,na,0.0,na,TmI2,3,P-3m1,OptB88vdW,164,na,na,na,-1.09275 +646.4366666666666,850,332.9266666666667,7.5122,na,"{'p': [4.19, 4.19, 4864.26], 'n': [2.05, 2.05, 1467.87]}",SingleLayer,na,30,0.0,na,na,na,na,-1.5288,1.951,"[[1.65515671734e-312, 1.65515671734e-312, 1.65515671734e-312, 1.65515671734e-312, 1.65515671734e-312, 1.65515671734e-312], [1.65515671734e-312, 1.65515671734e-312, 1.65515671734e-312, 1.65515671734e-312, 1.65515671734e-312, 1.65515671734e-312], [1.65515671734e-312, 1.65515671734e-312, 1.65515671734e-312, 1.65515671734e-312, 1.65515671734e-312, 1.65515671734e-312], [1.65515671734e-312, 1.65515671734e-312, 1.65515671734e-312, 1.65515671734e-312, 1.65515671734e-312, 1.65515671734e-312], [1.65515671734e-312, 1.65515671734e-312, 1.65515671734e-312, 1.65515671734e-312, 1.65515671734e-312, 1.65515671734e-312], [1.65515671734e-312, 1.65515671734e-312, 1.65515671734e-312, 1.65515671734e-312, 1.65515671734e-312, 1.65515671734e-312]]",2.999,na,na,JVASP-75069,0.0,3.14,na,N,1,P4/mmm,OptB88vdW,123,na,na,na,5.33291 +na,900,na,28.7833,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,55,0.0,na,na,72.84,na,-6.2381,3.8320000000000007,"[[123.4, 23.3, 0.5, 0.0, -0.0, -0.0], [23.3, 123.4, 0.5, 0.0, -0.0, -0.0], [1.3, 1.3, 1.4, 0.0, -0.0, -0.0], [0.0, 0.0, 0.0, 16.4, 0.0, 0.0], [-0.0, -0.0, -0.0, 0.0, 0.1, -0.0], [-0.0, -0.0, -0.0, 0.0, -0.0, 0.1]]",3.999,na,na,JVASP-75141,0.0,0.0,na,UTeO,6,P4/nmm,OptB88vdW,129,na,na,na,-2.11461 +na,1250,na,1.5432,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,45,0.0,na,na,78.32,na,-4.11729,0.0,na,0.0,na,na,JVASP-75257,na,3.059,na,BaH2O3,12,Pmc2_1,OptB88vdW,26,na,na,na,-1.42709 +na,500,na,12.982,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,85,0.0,na,na,226.22,na,-0.72323,0.0,na,0.0,na,na,JVASP-75071,na,0.0,na,LuPb2,3,P4/mmm,OptB88vdW,123,na,na,na,0.09146 +1400.46,650,349.84666666666664,2.4612,na,"{'p': [2.68, 2.68, 238.22], 'n': [0.57, 0.57, 136.56]}",SingleLayer,na,35,0.0,na,na,259.82,na,-0.92495,0.0,"[[26.0, -4.5, -0.0, 0.0, 0.0, 0.0], [-4.5, 26.0, -0.0, 0.0, 0.0, 0.0], [-0.0, -0.0, -0.2, 0.0, 0.0, -0.0], [0.0, 0.0, 0.0, 0.8, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, -0.4, -0.0], [0.0, 0.0, -0.0, 0.0, -0.0, -0.4]]",0.0,na,na,JVASP-75380,3.742,2.713,0.43,PbBrCl,6,P4/nmm,OptB88vdW,129,na,na,na,-0.80824 +na,750,na,27.2306,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,55,0.0,na,na,na,na,-1.29739,0.0,na,0.0,na,na,JVASP-75072,0.0,0.0,na,NiTe,4,P-3m1,OptB88vdW,164,na,na,na,-0.00024 +na,1150,na,43.2176,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-6.21125,7.56,na,8.0,na,na,JVASP-76468,0.0,0.0,na,NpIO,6,P4/nmm,OptB88vdW,129,na,na,na,-2.2903 +na,700,na,2.0518,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,70.4,na,-1.22279,0.0,na,0.0,na,na,JVASP-75146,3.027,2.04,4.31,AlBiBr6,16,P-1,OptB88vdW,2,na,na,na,-0.87651 +903.7633333333333,850,284.68666666666667,2.6107,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,103.69,na,-2.90093,0.0,na,0.001,na,na,JVASP-75381,na,0.837,na,CuHO2,4,P2/m,OptB88vdW,10,na,na,na,-0.58241 +na,700,na,2.9806,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,66.08,na,-2.26681,0.0,na,0.001,na,na,JVASP-75148,2.858,2.182,6.32,ZnPS3,10,P-31m,OptB88vdW,162,na,na,na,-0.39291 +516.1033333333334,1200,394.5,na,na,"{'p': [20.91, 2.68, 18204.39], 'n': [1.31, 1.19, 93108.52]}",SingleLayer,na,55,0.0,na,na,78.33,na,-4.08397,0.0,na,0.0,na,na,JVASP-75258,na,3.096,na,SrH2O3,12,Pmc2_1,OptB88vdW,26,na,4.76,na,-1.4647 +748.8166666666666,500,231.03666666666666,14.4949,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,75,0.0,na,na,55.88,na,-1.32137,0.0,na,0.0,na,na,JVASP-75151,0.938,0.828,31.28,SnBi2Te4,7,P-3m1,OptB88vdW,164,na,na,na,-0.20557 +224.14666666666668,500,131.36,3.9182,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,42.33,na,-0.2657,0.0,"[[32.2, 9.2, -0.1, 0.0, -0.2, 0.0], [9.2, 15.5, 0.3, -0.1, 0.1, -0.0], [-0.2, 0.9, -0.6, 0.1, -0.8, 0.2], [0.0, -0.2, 0.1, 0.2, 0.0, -0.0], [-0.6, 0.4, -0.8, 0.0, -0.0, 0.0], [0.1, -0.0, 0.2, -0.0, 0.0, -0.0]]",0.0,na,na,JVASP-75265,0.827,0.492,26.8,Ag3SI,10,P1,OptB88vdW,1,na,na,na,-0.06665 +na,500,na,10.5777,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,85,0.0,na,na,77.46,na,-5.3548,0.0,"[[205.2, 42.5, -0.2, -0.0, 0.0, 0.0], [42.5, 205.2, -0.2, 0.0, 0.0, 0.0], [-0.4, -0.4, -0.4, 0.0, 0.0, 0.0], [-0.0, 0.0, 0.0, 29.9, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, -0.2, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, -0.2]]",0.0,na,na,JVASP-75076,na,0.0,na,HfSiSe,6,P4/nmm,OptB88vdW,129,na,na,na,-0.91514 +574.2,1250,354.53999999999996,1.3618,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,200.51,na,-3.3199,0.0,na,0.001,na,na,JVASP-75153,na,3.516,na,Hg3B2O6,11,P-62m,OptB88vdW,189,na,na,na,-1.09918 +797.6566666666666,850,202.70666666666668,2.0101,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,87.59,na,-2.93681,0.0,"[[92.9, 10.3, 0.5, 0.0, -0.1, -0.0], [10.3, 31.0, 0.5, -0.0, -0.0, 0.0], [1.0, 1.1, 0.2, -0.0, -0.1, 0.0], [0.0, -0.0, -0.0, 5.1, -0.0, 0.0], [-0.2, -0.0, -0.1, -0.0, -0.0, 0.0], [-0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.0,na,na,JVASP-75382,na,1.456,na,HAuO2,4,P2/m,OptB88vdW,10,na,na,na,-0.33509 +na,650,na,9.3194,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,80,0.0,na,na,na,na,-4.21994,0.0,na,0.0,na,na,JVASP-75077,na,0.0,na,B,1,P4/mmm,OptB88vdW,123,na,na,na,1.73934 +204.31000000000003,1300,277.4166666666667,22.2257,na,"{'p': [5.67, 6.18, 8306.56], 'n': [2.08, 1.7, 9040.5]}",SingleLayer,na,30,0.0,na,na,91.04,na,-5.76235,5.685999999999999,na,6.0,na,na,JVASP-75269,na,1.301,na,CrPO4,12,C2/m,OptB88vdW,12,na,na,na,-1.90114 +575.36,1300,338.75333333333333,1.4542,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,170.78,na,-6.2702,0.0,na,0.0,na,na,JVASP-75154,na,3.373,na,NbPO5,14,P4/nmm,OptB88vdW,129,na,na,na,-2.36826 +na,650,na,12.4816,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,50,0.0,na,na,na,na,-4.48154,0.31,na,0.344,na,na,JVASP-76471,na,0.0,na,VS2,3,P-3m1,OptB88vdW,164,na,na,na,-0.87915 +171.01999999999998,500,258.1766666666667,2.7037,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,127.44,na,-1.67666,0.0,na,0.001,na,na,JVASP-75078,na,2.236,na,Tl2SiSe3,12,P-1,OptB88vdW,2,na,na,na,-0.3408 +580.97,850,275.65333333333336,2.0096,na,"{'p': [1.71, 1.71, 4309.1], 'n': [2.42, 2.42, 145825.92]}",SingleLayer,na,25,0.0,na,na,87.98,na,-4.04063,0.0,na,0.0,na,na,JVASP-75282,2.802,2.276,7.13,Li2WS4,7,P-42m,OptB88vdW,111,na,na,na,-0.92572 +9.116666666666667,900,25.703333333333333,18.2649,na,"{'p': [0.0, 0.0, 0.14], 'n': [0.0, 0.0, 0.14]}",SingleLayer,na,25,0.0,na,na,73.32,na,-2.76959,3.581,"[[12.1, -10.7, -2.7, 0.0, 0.0, -0.4], [-10.7, 12.1, -2.7, 0.0, 0.0, 0.4], [-6.9, -6.9, -6.2, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 4.4, 0.4, 0.0], [0.0, 0.0, 0.0, 0.4, 0.1, 0.0], [-1.1, 1.1, 0.0, 0.0, 0.0, 0.1]]",4.0,0.973,na,JVASP-6097,na,0.0,na,VCl3,8,P-31m,OptB88vdW,162,na,na,na,-1.22047 +1417.7566666666664,500,209.23000000000002,4.1888,na,"{'p': [3.83, 2.47, 138.03], 'n': [0.66, 2.17, 18.01]}",SingleLayer,na,40,0.0,na,na,71.43,na,-3.6131,0.0,na,0.0,0.009,na,JVASP-60242,na,1.808,na,SiAs,12,C2/m,OptB88vdW,12,na,na,na,0.01444 +428.77666666666664,1350,205.81000000000003,1.852,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,108.63,na,-3.84059,0.0,na,0.0,na,na,JVASP-75155,4.3,3.438,0.0,Te2SO7,20,Pmn2_1,OptB88vdW,31,na,na,na,-1.10203 +na,700,na,16.8849,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,43.26,na,-3.20517,1.823,na,1.999,na,na,JVASP-75284,na,0.0,na,FeP2S6,9,P312,OptB88vdW,149,na,na,na,-0.14838 +358.53666666666663,1300,186.16333333333333,1.8174,na,"{'p': [1.74, 1.74, 4178.78], 'n': [3.16, 3.16, 144951.51]}",SingleLayer,na,30,0.0,na,na,71.15,na,-5.93655,0.0,na,0.002,na,na,JVASP-75083,na,1.581,na,VPO5,14,P4/nmm,OptB88vdW,129,na,na,na,-2.25069 +na,700,na,3.0623,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,105,0.0,na,na,35.81,na,-3.93671,0.916,na,1.0,na,na,JVASP-75159,na,0.0,na,VCl2O,4,Pmmm,OptB88vdW,47,na,na,na,-1.61861 +368.50333333333333,850,229.42,2.142,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,33.87,na,-3.56706,0.0,na,0.0,na,na,JVASP-75285,na,2.822,na,SbOF,12,P2_1/c,OptB88vdW,14,na,na,na,-1.84895 +na,650,na,3.9381,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,na,na,-5.13666,0.0,"[[102.3, 39.2, -0.0, 0.0, -0.0, -0.0], [39.2, 102.3, -0.0, -0.0, 0.0, 0.0], [-0.0, -0.0, -0.1, 0.0, 0.0, -0.0], [0.0, -0.0, 0.0, 13.6, -0.0, 0.0], [-0.0, 0.0, 0.0, -0.0, 0.1, -0.0], [-0.0, 0.0, -0.0, 0.0, -0.0, 0.1]]",0.0,na,na,JVASP-60243,0.693,0.0,23.89,NbS2,3,P-6m2,OptB88vdW,187,na,na,na,-1.03008 +241.12333333333333,700,269.5366666666667,3.312,na,"{'p': [0.89, 13.52, 2429.0], 'n': [0.38, 0.52, 310.37]}",SingleLayer,na,30,0.0,na,na,48.47,na,-1.88368,0.0,na,0.0,na,na,JVASP-75084,2.312,1.953,16.36,InGaS3,10,Pmn2_1,OptB88vdW,31,na,na,na,-0.62969 +na,650,na,28.6941,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,70,0.0,na,na,80.47,na,-3.7976,0.282,na,0.29,0.236,na,JVASP-60483,na,0.0,na,NbCoTe2,16,P2_1/c,OptB88vdW,14,na,na,na,-0.26885 +27.38,650,-0.08000000000000007,10.322,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,75,0.0,na,na,67.95,na,-4.434,0.0,na,0.0,na,na,JVASP-75085,0.0,0.0,na,ZrSiTe,6,P4/nmm,OptB88vdW,129,na,na,na,-0.72599 +384.1466666666667,850,41.17333333333334,3.5627,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,235.69,na,-2.45869,0.0,"[[103.7, 20.2, -0.2, 0.0, 0.2, -0.0], [20.2, 103.5, -0.2, 0.0, 0.2, -0.0], [-0.5, -0.6, -1.5, 0.0, 0.5, -0.0], [0.0, 0.0, 0.0, 18.9, -0.0, -0.0], [0.6, 0.6, 0.5, -0.0, 0.1, 0.0], [-0.0, -0.0, -0.0, -0.0, 0.0, 0.1]]",0.0,na,na,JVASP-75385,0.375,0.023,9.01,AgBiO2,8,P4/mmm,OptB88vdW,123,na,na,na,-0.64504 +46.876666666666665,900,223.67333333333332,22.2323,na,"{'p': [4.11, 4.11, 2553.21], 'n': [62.25, 62.25, 11419.3]}",SingleLayer,na,25,0.0,na,na,na,na,-2.77599,5.601999999999999,na,6.0,na,na,JVASP-76498,na,1.704,na,CrCl3,8,P-31m,OptB88vdW,162,na,na,na,-1.08339 +10.503333333333332,850,20.526666666666667,16.6991,na,"{'p': [0.0, 0.0, 0.06], 'n': [0.0, 0.0, 0.06]}",SingleLayer,na,40,0.0,na,na,162.14,na,-3.69027,0.0,na,0.0,na,na,JVASP-75086,na,0.0,na,LiFeP,6,P4/nmm,OptB88vdW,129,na,na,na,-0.53828 +551.4933333333333,850,302.28999999999996,1.8923,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,169.13,na,-2.17766,0.0,"[[50.6, 18.9, -0.0, 0.0, 0.0, -0.0], [18.9, 43.4, -0.0, 0.0, -0.0, -0.0], [-0.1, -0.1, 0.1, 0.0, -0.1, -0.0], [0.0, 0.0, 0.0, 7.8, 0.0, -0.0], [0.0, -0.1, -0.1, 0.0, 0.0, -0.0], [-0.0, -0.0, -0.0, -0.0, -0.0, 0.1]]",0.0,na,na,JVASP-75164,3.967,3.155,0.03,CdBiClO2,10,P2_1/m,OptB88vdW,11,na,na,na,-1.13409 +na,700,na,6.1239,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,33.88,na,-2.46666,3.59,na,3.844,na,na,JVASP-75088,na,0.014,na,Ga2FeS4,7,P-3m1,OptB88vdW,164,na,na,na,-0.55071 +185.32666666666663,500,204.00666666666666,3.8329,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,na,na,-1.92646,0.0,na,0.0,na,na,JVASP-75089,1.267,0.862,33.24,InAgP2Se6,10,P312,OptB88vdW,149,na,na,na,-0.12477 +1090.8633333333335,600,244.30333333333337,2.4129,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,152.64,na,-2.78516,0.0,"[[100.2, 15.6, -6.9, 0.0, -0.0, -0.0], [15.6, 66.5, -8.2, 0.0, 0.1, -0.0], [-11.8, -14.1, -10.3, 0.0, 0.0, -0.0], [0.0, 0.0, 0.0, 9.8, 0.0, 0.0], [-0.0, 0.1, 0.0, 0.0, 0.3, -0.0], [-0.0, -0.0, -0.0, 0.0, -0.0, 0.2]]",0.0,na,na,JVASP-75387,0.392,0.547,9.76,LiCuO2,4,P2/m,OptB88vdW,10,na,na,na,-1.09092 +647.6866666666666,900,268.41,2.0645,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,181.24,na,-2.87861,0.0,"[[0.0, 0.0, 5e-324, 1e-323, 1e-323, 1.5e-323], [0.0, 1e-323, 5e-324, 0.0, 1e-323, 5e-324], [0.0, 0.0, 0.0, 0.0, 0.0, 0.0], [0.0, 5e-324, 5e-324, 1e-323, 1.5e-323, 1.5e-323], [5e-324, 0.0, 1e-323, 5e-324, 0.0, 1e-323], [0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]",0.0,na,na,JVASP-75389,na,0.814,na,HAuO2,8,P-1,OptB88vdW,2,na,na,na,-0.27689 +618.2933333333333,1200,280.16,2.6793,na,"{'p': [2.15, 3.98, 4590.9], 'n': [0.54, 1.84, 2535.96]}",SingleLayer,na,25,0.0,na,na,112.17,na,-2.68811,0.0,na,0.0,na,na,JVASP-75391,na,1.55,na,CuBiO2,8,P2_1/m,OptB88vdW,11,na,na,na,-0.9251 +1223.6299999999999,600,165.10666666666665,5.2143,na,"{'p': [0.44, 0.44, 8.97], 'n': [1.36, 1.36, 52.41]}",SingleLayer,na,40,0.0,na,na,na,na,-1.53409,0.0,na,0.0,na,na,JVASP-76505,1.014,0.892,31.99,InSiTe3,10,P-31m,OptB88vdW,162,na,na,na,-0.10255 +885.98,850,129.44333333333336,4.3458,na,"{'p': [0.43, 0.43, 201.62], 'n': [1.7, 1.7, 1797.62]}",SingleLayer,na,35,0.0,na,na,126.09,na,-3.62175,0.0,"[[175.9, 44.6, -14.2, 0.0, 0.0, -0.0], [44.6, 175.9, -14.2, 0.0, -0.0, -0.0], [-40.5, -40.5, -25.4, 0.0, -0.0, -0.0], [0.0, 0.0, 0.0, 23.1, 0.0, 0.0], [0.0, -0.0, -0.0, 0.0, 0.1, 0.0], [-0.0, -0.0, -0.0, 0.0, 0.0, 0.1]]",0.0,na,na,JVASP-75165,1.989,1.474,23.23,SmZnPO,8,P-3m1,OptB88vdW,164,na,na,na,-1.84605 +49.65666666666666,750,234.9433333333333,2.1686,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,78.36,na,-2.78704,0.0,"[[32.4, 9.3, 0.1, 0.1, -0.1, 0.1], [9.3, 32.4, 0.0, 0.1, -0.0, 0.1], [0.3, 0.0, 0.1, -0.1, 0.1, -0.1], [0.2, 0.2, -0.1, 4.9, 0.0, 0.0], [-0.1, -0.1, 0.1, 0.0, 0.0, 0.0], [0.2, 0.2, -0.1, 0.0, 0.0, 0.0]]",0.0,na,na,JVASP-75287,2.66,1.939,9.65,Y3I7O,11,P3m1,OptB88vdW,156,na,na,na,-1.71049 +300.7866666666667,500,270.02333333333337,2.5068,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,65.32,na,-3.0341,0.0,na,0.0,na,na,JVASP-75393,na,2.138,na,AlP,8,P4/mbm,OptB88vdW,127,na,na,na,0.07034 +476.6366666666666,850,345.4166666666667,1.9303,na,"{'p': [4.46, 4.46, 87572.4], 'n': [0.81, 0.81, 665.02]}",SingleLayer,na,25,0.0,na,na,110.57,na,-1.25374,0.0,na,0.0,na,na,JVASP-75167,na,1.348,na,AgClO2,8,Cmme,OptB88vdW,67,na,na,na,0.293 +983.2566666666668,950,235.59,1.7281,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,155.31,na,-1.60539,0.0,na,0.0,na,na,JVASP-75397,4.092,3.543,0.0,CaTlCl3,10,Pmma,OptB88vdW,51,na,na,na,-1.81297 +832.7600000000002,800,187.4666666666667,2.5343,na,"{'p': [0.93, 0.93, 643.96], 'n': [0.86, 0.86, 10804.51]}",SingleLayer,na,30,0.0,na,na,40.95,na,-5.0273,0.0,na,0.0,na,na,JVASP-75290,2.622,2.191,10.26,YIO,6,P-3m1,OptB88vdW,164,na,na,na,-2.809 +na,1250,na,1.6266,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,58.28,na,-2.65339,0.0,na,0.0,na,na,JVASP-75174,3.811,2.97,0.23,SrCl2O4,14,P4/nbm,OptB88vdW,125,na,na,na,-0.88996 +na,1000,na,30.6426,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,55,0.0,na,na,32.97,na,-6.15507,5.384,na,5.998,na,na,JVASP-75400,0.0,0.0,na,BaV4O8,13,P-31m,OptB88vdW,162,na,na,na,-2.42111 +na,1350,na,12.127,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,50,0.0,na,na,65.02,na,-4.93786,1.7880000000000005,na,2.0,na,na,JVASP-75292,na,0.0,na,CeBrO,6,P4/nmm,OptB88vdW,129,na,na,na,-2.93881 +na,750,na,14.3415,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,95,0.0,na,na,85.56,na,-3.40867,0.0,na,0.0,1.001,na,JVASP-60244,na,0.0,na,FeSe,4,P4/nmm,OptB88vdW,129,na,na,na,-0.19775 +na,850,na,2.0335,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,37.02,na,-5.41376,0.0,"[[115.1, 37.7, -0.3, 0.0, 0.0, -0.0], [37.7, 115.1, -0.3, -0.0, -0.0, 0.0], [-0.9, -0.9, -0.1, 0.0, -0.0, -0.0], [0.0, -0.0, 0.0, 12.8, -0.0, 0.0], [0.0, -0.0, -0.0, -0.0, 0.2, -0.0], [-0.0, 0.0, -0.0, 0.0, -0.0, 0.2]]",0.0,0.006,na,JVASP-14443,na,3.379,na,YBrO,6,P-3m1,OptB88vdW,164,na,na,na,-3.0908 +1226.1266666666668,900,213.21333333333334,2.4736,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,241.14,na,-1.14813,0.0,na,0.0,na,na,JVASP-75175,1.141,0.642,33.83,AgBiSCl2,10,Pmma,OptB88vdW,51,na,na,na,-0.42698 +704.96,500,276.99333333333334,3.5269,na,"{'p': [2.35, 2.35, 5491.72], 'n': [0.19, 0.19, 72.24]}",SingleLayer,na,30,0.0,na,na,na,na,-1.15611,0.0,na,0.0,na,na,JVASP-76507,na,1.866,na,GaSe,4,P-6m2,OptB88vdW,187,na,na,na,-0.52313 +754.1666666666666,1200,295.4066666666667,1.7072,na,"{'p': [4.46, 4.46, 22404.68], 'n': [1.59, 1.59, 398.73]}",SingleLayer,na,20,0.0,na,na,290.1,na,-4.81374,0.0,na,0.0,na,na,JVASP-75293,3.936,3.258,0.06,HoBiO3,10,P-3,OptB88vdW,147,na,na,na,-2.27626 +1170.0466666666666,850,117.27333333333333,2.3783,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,194.23,na,-1.41219,0.0,na,0.0,na,na,JVASP-75178,na,1.33,na,CdSbS2Cl,10,Pmc2_1,OptB88vdW,26,na,na,na,-0.46161 +na,1250,na,2.3188,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,86.61,na,-4.12308,0.0,"[[129.2648715588494, 129.28110625183777, 55.37487452408468, 42.43704526187769, 22.568655854433032, 13.248577473521756], [117.02122470687962, 75.49777275814094, 56.155251997282214, 35.25082555056293, 25.207967813969766, 5.901121809488345], [111.92010540094063, 68.03867099074617, 58.50107356305082, 29.477311921585546, 29.479199038296194, 0.0009395805521350553], [110.39044054072093, 62.435487705885684, 62.438154805950866, 25.206666529414257, 35.2532542070607, 3.941186421186572], [111.92245029795109, 58.49931424591366, 68.04231193180357, 22.567989205769237, 42.43999529870241, 5.344715381552135], [117.02680376048087, 56.15437587960678, 75.50254601164539, 21.67375144487579, 21.723251746553203, 3.9406705181423973]]",0.0,na,na,JVASP-75403,2.234,1.924,17.93,CaSb4O8,13,Pm,OptB88vdW,6,na,na,na,-1.53397 +na,850,na,14.2064,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,82.26,na,-5.81036,0.0,na,0.0,na,na,JVASP-68932,0.0,0.04,na,WS2,6,P-1,OptB88vdW,2,na,na,na,-0.82718 +22.826666666666664,950,9.34666666666667,18.6382,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,75,0.0,na,na,49.51,na,-2.85799,0.0,na,0.0,na,na,JVASP-75413,na,0.0,na,MgSn2N2,5,P-4m2,OptB88vdW,115,na,na,na,-0.11783 +1017.0033333333334,850,113.55,2.4354,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,253.8,na,-1.22327,0.0,na,0.0,na,na,JVASP-75185,1.515,1.168,32.18,CdBiS2Cl,10,Pmc2_1,OptB88vdW,26,na,na,na,-0.46158 +536.12,1250,293.48,2.1864,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,55,0.0,na,na,157.58,na,-4.7714,0.0,na,0.0,na,na,JVASP-75296,na,1.884,na,TiBi2O5,16,Pmmn,OptB88vdW,59,na,na,na,-1.82965 +na,1300,na,1.7204,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,75.35,na,-5.39789,0.0,na,0.0,na,na,JVASP-75300,na,3.259,na,BSbO3,10,C2,OptB88vdW,5,na,na,na,-1.8526 +815.89,1250,236.38,2.4845,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,na,na,-7.08986,0.0,na,0.0,na,na,JVASP-75420,na,0.705,na,W3O8,11,P2/m,OptB88vdW,10,na,na,na,-2.0451 +218.62666666666667,1200,317.62666666666667,1.6798,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,105.41,na,-4.65297,0.0,na,0.0,na,na,JVASP-75303,na,1.561,na,SmH2ClO2,12,P2_1/m,OptB88vdW,11,na,na,na,-2.08216 +1003.0266666666666,850,-44.88666666666666,16.7573,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,52.75,na,-4.66075,5.890000000000001,na,6.083,na,na,JVASP-75426,na,0.0,na,Sr2MnSO3,14,P4/nmm,OptB88vdW,129,na,na,na,-2.3371 +207.04,600,282.0066666666667,2.5801,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,471.75,na,-3.02345,0.0,"[[58.9, 10.3, 0.4, 0.0, -0.0, 0.0], [10.3, 36.5, 0.2, 0.0, -0.0, 0.0], [0.9, 0.5, -0.2, 0.0, -0.0, 0.0], [0.0, 0.0, 0.0, 4.5, 0.0, 0.0], [-0.0, -0.0, -0.0, 0.0, 0.1, -0.0], [0.0, 0.0, 0.0, 0.0, -0.0, 0.5]]",0.0,na,na,JVASP-75188,na,1.516,na,LuSBr,6,Pmmn,OptB88vdW,59,na,na,na,-1.63277 +273.0233333333333,900,62.419999999999995,2.8353,na,"{'p': [0.37, 0.55, 697.21], 'n': [0.41, 0.31, 747.59]}",SingleLayer,na,30,0.0,na,na,na,na,-6.45598,0.0,na,0.0,na,na,JVASP-76508,na,2.226,na,HfBrN,6,Pmmn,OptB88vdW,59,na,na,na,-1.77352 +na,1250,na,18.0637,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,70,0.0,na,na,50.3,na,-4.34058,6.646,na,6.97,na,na,JVASP-75427,na,0.0,na,Sr2FeSO3,14,P4/nmm,OptB88vdW,129,na,na,na,-2.16977 +na,1100,na,2.5551,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,117.39,na,-0.03296,0.0,na,0.0,na,na,JVASP-75189,1.986,1.192,23.3,AgHgSBr,16,Pmma,OptB88vdW,51,na,na,na,-0.08692 +228.25666666666666,500,297.6166666666667,1.9659,na,"{'p': [2.16, 2.16, 110.22], 'n': [0.95, 0.95, 325.58]}",SingleLayer,na,25,0.0,na,na,na,na,0.10888,0.0,na,0.0,na,na,JVASP-76511,na,1.961,na,CdBr2,3,P-3m1,OptB88vdW,164,na,na,na,-0.8093 +360.13000000000005,500,297.2766666666667,1.9623,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,na,na,0.10891,0.0,na,0.0,na,na,JVASP-76512,3.845,3.248,0.17,CdBr2,3,P-3m1,OptB88vdW,164,na,na,na,-0.80927 +723.38,700,276.3066666666667,na,na,"{'p': [2.67, 2.67, 14651.14], 'n': [0.17, 0.17, 45.39]}",SingleLayer,na,35,0.0,na,na,na,na,-1.15618,0.0,na,0.0,0.007,na,JVASP-6877,na,1.868,na,GaSe,4,P-6m2,OptB88vdW,187,na,na,na,-0.5232 +2.0900000000000003,500,17.496666666666666,na,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,50,0.0,na,na,na,na,-3.26985,0.0,na,0.0,na,na,JVASP-6637,na,0.0,na,CoAs2,3,P-3m1,OptB88vdW,164,na,na,na,0.2452 +879.4333333333334,800,256.29333333333335,2.2861,na,"{'p': [2.54, 2.54, 85489.52], 'n': [1.56, 1.56, 30332.76]}",SingleLayer,na,20,0.0,na,na,84.51,na,-3.80373,0.0,"[[142.6, 35.5, -0.3, 0.0, 0.0, 0.0], [35.5, 142.6, -0.3, 0.0, -0.0, 0.0], [-1.0, -1.0, -1.0, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 17.4, 0.0, 0.0], [0.1, -0.1, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.0,0.095,na,JVASP-738,na,1.788,na,PtO2,3,P-3m1,OptB88vdW,164,na,na,na,-0.50061 +24.153333333333332,650,-1.2133333333333336,3.0317,na,"{'p': [0.0, 0.0, 4.99], 'n': [0.0, 0.0, 4.99]}",SingleLayer,na,40,0.0,na,na,92.93,na,-5.13649,0.0,"[[102.5, 39.3, 0.1, 0.0, 0.0, 0.0], [39.3, 102.5, 0.1, 0.0, 0.0, 0.0], [0.4, 0.4, 0.9, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 9.5, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.2, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.2]]",0.0,0.252,na,JVASP-646,na,0.0,na,NbS2,3,P-6m2,OptB88vdW,187,na,na,na,-1.0299 +na,750,na,2.3341,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,81.01,na,-0.88238,0.0,na,0.0,0.238,na,JVASP-60549,3.405,2.998,1.69,BiBr3,16,P2_1/c,OptB88vdW,14,na,na,na,-0.66713 +na,750,na,2.3029,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,81.52,na,0.5823,0.0,"[[6e-323, 6e-323, 6e-323, 6e-323, 6e-323, 6e-323], [6e-323, 6e-323, 6e-323, 6e-323, 6e-323, 6e-323], [6e-323, 6e-323, 6e-323, 6e-323, 6e-323, 6e-323], [6e-323, 6e-323, 6e-323, 6e-323, 6e-323, 6e-323], [6e-323, 6e-323, 6e-323, 6e-323, 6e-323, 6e-323], [6e-323, 6e-323, 6e-323, 6e-323, 6e-323, 6e-323]]",0.0,0.059,na,JVASP-60484,na,1.999,na,HgBr2,3,P-3m1,OptB88vdW,164,na,na,na,-0.24149 +102.36333333333334,500,274.9033333333333,24.8245,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-1.59625,5.612,"[[0.0, 4.414672296659816e-05, 0.5000672747992381, 0.0, 4.414672296659816e-05, 0.5000672747992381], [0.0, 0.4999327252007618, 0.4999768719237283, 0.4999768719237284, -2.220446049250313e-16, 0.49993272520076193], [0.0, 6.77535183449081e-21, -6.77657702191614e-21, -6.77657702191614e-21, 0.0, 6.77535183449081e-21], [7.428101480311256e-05, 3.0134291836514393e-05, 0.500007006215565, 7.428101480311256e-05, 3.0134291836514393e-05, 0.500007006215565], [0.9999397314163267, 0.5000070062155649, 0.49996285949259844, 0.49996285949259833, 0.999939731416327, 0.5000070062155648], [-8.1679161688652765e-25, -6.776168626107696e-21, 6.775760230299253e-21, 6.775760230299253e-21, -8.1679161688652765e-25, -6.776168626107696e-21]]",6.0,0.072,na,JVASP-76195,0.0,1.184,na,CrI3,8,P-31m,OptB88vdW,162,na,na,na,-0.32259 +209.5,500,5.276666666666666,23.1684,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,55,0.0,na,na,101.18,na,-4.40724,0.0,na,0.0,2.397,na,JVASP-19510,na,0.0,na,NbSe2,3,P-3m1,OptB88vdW,164,na,na,na,-0.73508 +27.180000000000003,650,-3.4066666666666676,na,na,"{'p': [0.0, 0.0, 2.64], 'n': [0.0, 0.0, 2.64]}",SingleLayer,na,40,0.0,na,na,na,na,-5.13651,0.0,na,0.0,na,na,JVASP-5989,na,0.0,na,NbS2,3,P-6m2,OptB88vdW,187,na,na,na,-1.02992 +na,1350,na,54.413,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,85,0.0,na,na,na,na,-2.5836,1.206,na,1.272,na,na,JVASP-60485,na,0.0,na,CeTe3,8,P4/nmm,OptB88vdW,129,na,na,na,-0.94745 +2.4333333333333336,1000,-4.323333333333333,na,na,"{'p': [0.0, 0.0, 0.02], 'n': [0.0, 0.0, 0.02]}",SingleLayer,na,70,0.0,na,na,96.4,na,-4.07226,0.0,na,0.0,0.999,na,JVASP-6445,na,0.0,na,SN,4,P2_1,OptB88vdW,4,na,na,na,0.61012 +na,750,na,2.1592,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,90.86,na,-3.56777,0.0,"[[0.13229, 0.86771, 0.436675, 0.167333, 0.332667, 0.063325], [0.521072, 0.478928, 0.690004, 0.64634, 0.14634, 0.190004], [0.059869, 0.940131, 0.083621, 0.98434, 0.015038, 0.916379], [0.63229, 0.36771, 0.936675, 0.832667, 0.667333, 0.563325], [0.978928, 0.021072, 0.809996, 0.35366, 0.85366, 0.309996], [0.059869, 0.940131, 0.083621, 0.015038, 0.984962, 0.916379]]",0.0,0.032,na,JVASP-60249,3.32,1.701,2.16,TeO2,12,P2_1/c,OptB88vdW,14,na,na,na,-1.02456 +363.45,850,271.0266666666667,na,na,"{'p': [2.44, 2.44, 13889.22], 'n': [0.5, 0.5, 705.39]}",SingleLayer,na,20,0.0,na,na,626.82,na,-5.57735,0.0,na,0.0,0.0,na,JVASP-7012,na,2.988,na,AlN,2,P-6m2,OptB88vdW,187,na,na,na,-1.02266 +1951.6033333333332,700,47.49,na,na,"{'p': [0.0, 0.0, 0.05], 'n': [0.0, 0.0, 0.05]}",SingleLayer,na,65,0.0,na,na,na,na,-1.8448,0.0,na,0.0,na,na,JVASP-7015,na,0.096,na,NiSe2,3,P-3m1,OptB88vdW,164,na,na,na,-0.15045 +364.8433333333333,950,102.77,na,na,"{'p': [1.55, 0.78, 3006.78], 'n': [0.71, 0.88, 23394.97]}",SingleLayer,na,20,0.0,na,na,75.88,na,-4.02089,0.0,na,0.0,0.0,na,JVASP-6895,na,1.691,na,CS2,3,C2/m,OptB88vdW,12,na,3.9,na,0.3239 +475.20666666666665,500,351.29,1.5592,na,"{'p': [5.41, 5.41, 6580.8], 'n': [1.17, 1.17, 24448.22]}",SingleLayer,na,25,0.0,na,na,755.66,na,-1.65771,0.0,na,0.0,0.023,na,JVASP-6844,na,1.907,na,YbSe,2,P-6m2,OptB88vdW,187,na,na,na,-1.25377 +1255.1466666666665,850,332.70000000000005,2.0369,na,"{'p': [6.11, 0.82, 47102.48], 'n': [0.54, 0.86, 1927.28]}",SingleLayer,na,30,0.0,na,na,41.64,na,-4.66966,0.0,na,0.0,0.033,na,JVASP-60550,na,4.618,na,HoBrO,6,Pmmn,OptB88vdW,59,na,na,na,-3.01645 +287.4033333333333,500,155.26666666666668,3.0904,na,"{'p': [6.37, 1.98, 258.28], 'n': [2.69, 3.16, 17.75]}",SingleLayer,na,30,0.0,na,na,151.92,na,-0.94178,0.0,na,0.0,0.01,na,JVASP-60251,2.454,1.715,13.54,InSe,4,P-1,OptB88vdW,2,na,na,na,-0.34293 +329.5366666666667,800,251.0233333333333,6.0043,na,"{'p': [0.01, 0.01, 26.6], 'n': [0.01, 0.01, 27.05]}",SingleLayer,na,45,0.0,na,na,66.86,na,-4.8448,4.692000000000001,"[[28.1, 11.7, -2.3, 0.0, -0.0, 0.0], [11.7, 28.1, -2.3, 0.0, 0.0, 0.0], [-5.5, -5.5, -5.0, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 3.4, -0.0, -0.0], [-0.0, 0.0, 0.0, -0.0, 1.1, -0.0], [0.0, 0.0, 0.0, -0.0, -0.0, 1.1]]",4.998,0.001,na,JVASP-27913,na,0.238,na,MnH2O2,5,P-3m1,OptB88vdW,164,na,na,na,-1.06505 +0.7433333333333333,600,-11.763333333333334,na,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,50,0.0,na,na,na,na,-1.1346,0.0,na,0.0,na,na,JVASP-6601,na,0.0,na,AuSe2,3,P-3m1,OptB88vdW,164,na,na,na,0.28967 +47.083333333333336,500,1.2566666666666677,na,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,40,0.0,na,na,na,na,-2.28097,1.4900000000000002,na,1.498,na,na,JVASP-6847,na,0.0,na,FeTe2,3,P-3m1,OptB88vdW,164,na,na,na,0.05192 +na,700,na,17.5872,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,95,0.0,na,na,79.08,na,-2.23435,5.619999999999999,na,6.0,0.012,na,JVASP-6088,na,1.47,na,CrBr3,8,P-31m,OptB88vdW,162,na,na,na,-0.72521 +302.59999999999997,600,239.47333333333336,2.2998,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,85.58,na,-0.77602,0.0,na,0.0,0.077,na,JVASP-60552,3.43,2.855,1.56,CaPbI4,6,P-1,OptB88vdW,2,na,na,na,-1.10189 +na,500,na,26.4048,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,na,na,-2.28035,0.945,"[[18.7, 9.5, 0.2, 0.0, 0.0, 0.0], [9.5, 18.7, 0.2, 0.0, -0.0, 0.0], [0.5, 0.5, 0.2, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 1.6, 0.0, 0.0], [0.1, -0.1, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",2.934,na,na,JVASP-9020,na,0.0,na,RbNd2Se2,5,P-3m1,OptB88vdW,164,na,na,na,-0.91623 +241.24,850,347.9066666666667,2.7728,na,"{'p': [1.16, 1.16, 4526.97], 'n': [0.29, 0.29, 836.29]}",SingleLayer,na,30,0.0,na,na,56.42,na,-2.63275,0.0,na,0.0,0.095,na,JVASP-6217,na,2.54,na,BiBrO,6,P4/nmm,OptB88vdW,129,na,na,na,-1.20128 +na,600,na,70.8892,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,45,0.0,na,na,59.61,na,-3.37835,4.5840000000000005,na,4.89,3.323,na,JVASP-60253,0.0,0.0,na,UTe3,8,Pmn2_1,OptB88vdW,31,na,na,na,-0.48061 +931.5066666666667,750,294.71333333333337,2.4736,na,"{'p': [0.54, 0.54, 4617.69], 'n': [1.95, 1.95, 4076.55]}",SingleLayer,na,35,0.0,na,na,47.64,na,-5.09289,0.0,na,0.0,0.021,na,JVASP-60553,4.02,3.637,0.01,YIO,6,P4/nmm,OptB88vdW,129,na,na,na,-2.87459 +56.60333333333333,650,-21.48,15.9257,na,"{'p': [0.0, 0.0, 0.07], 'n': [0.0, 0.0, 0.07]}",SingleLayer,na,60,0.0,na,na,98.21,na,-2.45666,5.463,na,6.0,2.823,na,JVASP-19524,na,0.073,na,UI3,8,Pmmn,OptB88vdW,59,na,na,na,-0.7896 +510.3533333333333,700,250.90666666666667,4.8628,na,"{'p': [4.02, 3.02, 162.7], 'n': [1.95, 1.23, 82.88]}",SingleLayer,na,40,0.0,na,na,na,na,-5.30735,0.0,"[[0.560047, 0.988216, 0.667941, 0.292747, 0.173472, 0.201746], [0.187882, 0.213947, 0.44344, 0.091737, 0.952806, 0.41281], [0.002287, 0.000555, 0.941877, 0.067191, 0.925121, 0.949102], [0.011784, 0.439953, 0.332059, 0.798254, 0.707253, 0.826528], [0.786053, 0.812118, 0.55656, 0.58719, 0.908263, 0.047194], [0.999445, 0.997713, 0.058123, 0.050898, 0.932809, 0.074879]]",0.0,0.163,na,JVASP-60488,na,1.423,na,ReS2,12,P-1,OptB88vdW,2,na,na,na,-0.55901 +1.74,650,172.77,3.7882,na,"{'p': [0.74, 0.74, 1009.34], 'n': [612.59, 612.59, 9274792.69]}",SingleLayer,na,25,0.0,na,na,76.27,na,-5.80172,0.0,"[[146.5, 33.2, 0.2, 0.0, 0.0, 0.0], [33.2, 146.5, 0.2, 0.0, 0.0, 0.0], [0.5, 0.5, 0.8, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 18.8, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.0,0.019,na,JVASP-658,na,1.337,na,WS2,3,P-6m2,OptB88vdW,187,na,2.29,na,-0.81854 +na,650,na,23.6564,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,65,0.0,na,na,76.49,na,-4.15614,0.0,na,0.0,0.547,na,JVASP-60317,na,0.0,na,TaCoTe2,16,P2_1/c,OptB88vdW,14,na,na,na,-0.22052 +na,500,na,2.7226,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-0.39714,0.0,"[[15.1, 4.4, -0.1, 0.0, -0.0, 0.0], [4.4, 15.1, -0.1, -0.0, 0.0, -0.0], [-0.2, -0.2, -0.1, -0.0, 0.0, -0.0], [0.0, -0.0, -0.0, 2.3, 0.0, -0.0], [-0.0, 0.0, 0.0, 0.0, -0.1, 0.0], [0.0, -0.0, -0.0, -0.0, 0.0, -0.1]]",0.0,0.065,na,JVASP-60491,3.01,1.767,4.47,PbI2,3,P-3m1,OptB88vdW,164,na,na,na,-0.57129 +676.82,1050,26.02333333333333,16.2384,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,95,0.0,na,na,309.61,na,0.78249,0.0,na,0.0,0.239,na,JVASP-13556,na,0.0,na,Mg3Au,4,P-6m2,OptB88vdW,187,na,na,na,0.07527 +182.51666666666665,850,272.42,1.8531,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,40.04,na,-4.94053,0.0,"[[110.1, 24.5, 0.4, 0.0, 0.0, -0.0], [24.5, 92.0, 0.2, 0.0, 0.0, -0.0], [1.0, 0.5, 0.9, 0.0, 0.0, -0.0], [0.0, 0.0, 0.0, 15.9, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.4, 0.0], [-0.0, -0.0, -0.0, 0.0, 0.0, -0.1]]",0.0,0.034,na,JVASP-60554,5.778,1.365,0.0,TmClO,6,Pmmn,OptB88vdW,59,na,6.88,na,-3.2287 +1236.3266666666666,500,226.01999999999998,3.2138,na,"{'p': [0.85, 0.85, 58.53], 'n': [0.36, 0.36, 3754.39]}",SingleLayer,na,35,0.0,na,na,93.47,na,-1.66013,0.0,"[[61.0, 15.4, 0.1, 0.0, -0.0, 0.0], [15.4, 61.0, 0.1, 0.0, 0.0, 0.0], [0.3, 0.3, 0.2, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 7.4, 0.0, -0.0], [-0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, -0.0, 0.0, 0.1]]",0.0,0.027,na,JVASP-762,na,0.731,na,SnSe2,3,P-3m1,OptB88vdW,164,na,na,na,-0.24079 +na,500,na,2.7247,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-0.39712,0.0,"[[15.3, 4.4, -0.0, 0.0, 0.0, -0.0], [4.4, 15.3, -0.0, -0.0, -0.0, 0.0], [-0.1, -0.1, -0.1, 0.0, 0.0, -0.0], [0.0, -0.0, 0.0, 2.3, -0.0, 0.0], [0.0, -0.0, 0.0, -0.0, -0.1, 0.0], [-0.0, 0.0, -0.0, 0.0, 0.0, -0.1]]",0.0,0.065,na,JVASP-60493,3.003,2.652,4.56,PbI2,3,P-3m1,OptB88vdW,164,na,na,na,-0.57127 +1884.07,800,271.28333333333336,1.8997,na,"{'p': [2.43, 2.43, 8386.47], 'n': [0.57, 0.57, 1002.75]}",SingleLayer,na,25,0.0,na,na,87.05,na,-3.28293,0.0,"[[90.4, 29.1, 2.5, -0.0, -0.0, -0.0], [29.1, 90.4, 2.5, 0.0, 0.0, -0.0], [7.7, 7.7, 2.8, -0.0, -0.0, -0.0], [-0.0, 0.0, -0.0, 10.1, 0.0, -0.0], [-0.0, 0.0, -0.0, 0.0, 0.6, 0.0], [-0.0, -0.0, -0.0, -0.0, 0.0, 0.6]]",0.001,0.102,na,JVASP-14445,na,3.437,na,BiOF,6,P-3m1,OptB88vdW,164,na,na,na,-1.87963 +503.2766666666667,650,271.46999999999997,4.5275,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,79.03,na,-1.88773,0.0,na,0.0,0.051,na,JVASP-60254,0.835,0.559,27.03,InCuP2Se6,10,P312,OptB88vdW,149,na,na,na,-0.10629 +1027.4833333333333,650,201.28333333333333,4.5306,na,"{'p': [0.63, 0.75, 24.67], 'n': [0.98, 0.91, 1007.14]}",SingleLayer,na,45,0.0,na,na,128.9,na,-1.94281,0.0,na,0.0,na,na,JVASP-19586,na,1.573,na,SnS,4,Aem2,OptB88vdW,39,na,na,na,-0.4137 +na,500,na,20.1561,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,70,0.0,na,na,na,na,-0.52911,0.0,na,0.0,na,na,JVASP-13647,na,0.0,na,Ge2Te,3,P3m1,OptB88vdW,156,na,na,na,0.58671 +na,500,na,22.8328,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,115,0.0,na,na,na,na,-2.35839,0.0,na,0.0,na,na,JVASP-20060,na,0.0,na,SmTe3,8,P4/nmm,OptB88vdW,129,na,na,na,-0.93913 +643.3000000000001,750,318.68666666666667,1.372,na,"{'p': [2.03, 2.03, 18353.93], 'n': [1.03, 1.03, 23557.73]}",SingleLayer,na,20,0.0,na,na,274.29,na,-3.84182,0.0,"[[69.8, 31.3, -0.1, 0.0, 0.0, 0.0], [31.3, 69.8, -0.1, 0.0, 0.0, 0.0], [-0.2, -0.2, 0.0, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 9.6, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.001,0.005,na,JVASP-8861,na,2.922,na,BaO2,3,P4/mmm,OptB88vdW,123,na,na,na,-1.81164 +389.7966666666667,1450,289.09999999999997,2.0734,na,"{'p': [2.1, 2.1, 1027.64], 'n': [0.46, 0.46, 1547.68]}",SingleLayer,na,35,0.0,na,na,75.37,na,0.15812,0.0,na,0.004,0.008,na,JVASP-60257,na,1.664,na,CuBr,4,P4/nmm,OptB88vdW,129,na,na,na,-0.17974 +na,750,na,16.9317,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,60,0.0,na,na,na,na,-4.76674,0.0,na,0.0,na,na,JVASP-60258,0.0,0.0,na,YCI,6,C2/m,OptB88vdW,12,na,na,na,-0.9416 +218.16333333333333,750,208.3133333333333,3.2233,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,65,0.0,na,na,93.65,na,-2.38347,0.8680000000000001,na,1.904,na,na,JVASP-60259,0.0,0.302,na,Pr2Br5,14,P2_1/m,OptB88vdW,11,na,na,na,-1.82049 +378.64000000000004,650,161.25,1.7864,na,"{'p': [1.13, 1.08, 1510397.59], 'n': [1.15, 0.74, 15741.05]}",SingleLayer,na,20,0.0,na,na,85.99,na,-3.64305,0.0,na,0.0,0.0,na,JVASP-6016,na,2.702,na,SiS2,6,Pccm,OptB88vdW,49,na,4.2,na,-0.58466 +760.2199999999999,850,245.16666666666666,2.0476,na,"{'p': [1.66, 1.66, 4866.73], 'n': [0.87, 0.87, 178174.19]}",SingleLayer,na,25,0.0,na,na,37.43,na,-4.73553,0.0,"[[120.0, 41.1, 0.4, -0.0, 0.0, 0.0], [41.1, 120.0, 0.4, 0.0, -0.0, -0.0], [1.1, 1.1, 1.1, 0.0, -0.0, 0.0], [-0.0, 0.0, 0.0, 13.1, 0.0, 0.0], [0.1, -0.1, -0.0, 0.0, 0.6, -0.0], [0.0, -0.0, 0.0, 0.0, -0.0, 0.6]]",0.0,0.032,na,JVASP-13528,na,3.819,na,HoBrO,6,P-3m1,OptB88vdW,164,na,na,na,-3.08233 +288.56333333333333,750,145.30666666666667,1.9548,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,60,0.0,na,na,181.19,na,0.27833,0.0,na,0.0,0.003,na,JVASP-60261,na,1.169,na,CuBr,2,P-6m2,OptB88vdW,187,na,na,na,-0.05953 +541.9966666666667,1200,362.0233333333333,1.6784,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,70.61,na,-5.82678,0.001,"[[1.9180524691993242, 40.73079632911717, 43.66497669105824, 40.7324245839235, 31.4996523188057, 49.386186513577584], [31.496116929720927, 60.47499038824401, 65.95902270556238, 65.95965104865714, 60.47687494108047, 74.25139196723003], [49.38295716638602, 74.24934495805327, 82.78805146701131, 85.72833540183544, 82.78911810361758, 94.9904839499354], [60.47385965519565, 82.78711816581999, 94.98915308860931, 101.70812723839977, 101.70860930603908, 113.23661506437108], [65.95701200999856, 85.72670330185325, 101.70732379954006, 113.23583126646605, 117.73091702228399, 128.7720631393382], [8.920502823305128, 8.922002752808964, 1.9118202744053292, 117.73026600847484, 128.77175808280197, 136.65849869014593]]",0.0,0.049,na,JVASP-60555,na,1.1,na,MgRe2O8,11,P-3,OptB88vdW,147,na,na,na,-1.91706 +1316.24,650,141.99,3.8961,na,"{'p': [0.62, 0.62, 23864.38], 'n': [1.45, 1.45, 42979.8]}",SingleLayer,na,25,0.0,na,na,69.38,na,-3.69409,0.0,"[[84.8, 14.2, 0.2, 0.0, 0.0, 0.0], [14.2, 84.8, 0.2, 0.0, 0.0, 0.0], [0.5, 0.5, 0.4, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 13.7, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.2, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.2]]",0.0,0.002,na,JVASP-6037,na,1.197,na,ZrCl2,3,P-6m2,OptB88vdW,187,na,na,na,-1.69261 +na,1250,na,2.7287,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,45.28,na,-3.89453,0.0,"[[107.2, 7.9, 0.1, 0.0, -0.0, -0.0], [7.9, 29.4, 0.2, 0.0, 0.0, -0.0], [0.3, 0.5, 0.2, 0.0, 0.0, -0.0], [0.0, 0.0, 0.0, 10.3, 0.0, 0.0], [-0.0, 0.1, 0.0, 0.0, -0.1, 0.0], [-0.0, -0.0, -0.0, 0.0, 0.0, -0.1]]",0.0,0.191,na,JVASP-60320,3.54,2.06,1.12,SrBi2O4,14,P2_1/m,OptB88vdW,11,na,na,na,-1.82605 +1283.4966666666667,850,339.83,2.0281,na,"{'p': [5.37, 0.8, 53794.85], 'n': [0.44, 0.94, 1725.15]}",SingleLayer,na,30,0.0,na,na,41.32,na,-4.67969,0.0,na,0.0,0.037,na,JVASP-60556,5.177,4.689,0.0,TmBrO,6,Pmmn,OptB88vdW,59,na,na,na,-3.04939 +527.7299999999999,750,282.49,1.9559,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,221.35,na,-3.54692,0.0,na,0.0,0.175,na,JVASP-60262,3.717,3.164,0.51,Bi2O3,10,P-1,OptB88vdW,2,na,na,na,-1.14248 +na,850,na,9.8757,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,73.29,na,-2.96265,1.704,"[[-0.0, 0.0, 0.9999979999999977, -0.0, 0.9999979999999977, -2.220446049250313e-16], [-0.0, 2.0000000020559128e-06, -0.0, -0.0, -5.551104020895525e-17, 2.0000000020559128e-06], [-0.0, 0.0, -0.0, 0.12328677086017747, 0.12328677086017747, 0.12328677086017747], [0.9999986666666651, 0.9999986666666651, 6.666666673149635e-07, 0.9999986666666651, 6.666666672039412e-07, 0.9999986666666653], [1.333333334629927e-06, 0.9999993333333326, 1.333333334629927e-06, 1.333333334629927e-06, 1.333333334629927e-06, 0.9999993333333327], [0.12328677086017747, 0.12328677086017747, 0.12328677086017747, -0.0, 0.0, 0.0]]",2.0,na,na,JVASP-60263,na,0.0,na,TiCl3,8,P-31m,OptB88vdW,162,na,na,na,-1.58973 +2574.43,500,326.09999999999997,4.4362,na,"{'p': [2.94, 2.94, 932.24], 'n': [0.32, 0.32, 114.45]}",SingleLayer,na,55,0.0,na,na,107.58,na,-2.67092,0.0,na,0.0,0.066,na,JVASP-744,na,1.362,na,PtSe2,3,P-3m1,OptB88vdW,164,na,1.87,na,-0.27202 +2525.17,750,66.2,4.4729,na,"{'p': [0.45, 0.45, 24.72], 'n': [0.21, 0.21, 977.57]}",SingleLayer,na,40,0.0,na,na,25.96,na,-3.9192,0.0,na,0.0,0.0,na,JVASP-14451,na,0.986,na,Si3H,8,P-3m1,OptB88vdW,164,na,na,na,0.06295 +na,600,na,26.29,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,65,0.0,na,na,na,na,-1.00061,0.0,na,0.0,na,na,JVASP-14455,na,0.0,na,TlS2,3,P-3m1,OptB88vdW,164,na,na,na,0.38339 +549.9766666666667,850,184.53333333333333,1.8243,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,82.25,na,-2.86873,0.0,na,0.0,0.026,na,JVASP-60264,4.054,3.909,0.0,TbCl3,8,Pmmn,OptB88vdW,59,na,na,na,-2.29407 +na,700,na,5.0239,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,65,0.0,na,na,na,na,-3.23507,0.0,na,0.0,na,na,JVASP-60267,na,0.0,na,ErHCl,6,P-3m1,OptB88vdW,164,na,na,na,-1.44618 +na,700,na,7.1533,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,60,0.0,na,na,na,na,-3.75351,0.0,na,0.0,na,na,JVASP-60268,na,0.0,na,ScHCl,6,P-3m1,OptB88vdW,164,na,na,na,-1.41348 +na,900,na,33.0657,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,45,0.0,na,na,40.12,na,-4.24773,7.156,na,7.459,na,na,JVASP-60272,na,0.0,na,Sr3Fe2Cl2O5,12,P4/mmm,OptB88vdW,123,na,na,na,-2.3151 +54.54666666666666,500,-31.49,13.4135,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,55,0.0,na,na,96.41,na,-4.92294,0.0,na,0.0,2.023,na,JVASP-5956,na,0.0,na,TaSe2,3,P-3m1,OptB88vdW,164,na,na,na,-0.70829 +805.59,750,313.0233333333333,1.7987,na,"{'p': [4.87, 17.22, 530.39], 'n': [1.35, 6.66, 227.79]}",SingleLayer,na,25,0.0,na,na,na,na,-2.77079,0.0,na,0.0,0.013,na,JVASP-60558,4.173,4.067,0.0,YBr3,8,C2/m,OptB88vdW,12,na,na,na,-1.88692 +na,650,na,3.9383,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,1.92,na,-5.13667,0.0,"[[102.3, 39.2, -0.1, -0.0, 0.0, 0.0], [39.2, 102.3, -0.1, 0.0, 0.0, 0.0], [-0.3, -0.3, -1.7, -0.0, 0.0, 0.0], [-0.0, 0.0, -0.0, 13.6, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.1, -0.0], [0.0, 0.0, 0.0, 0.0, -0.0, 0.1]]",0.0,0.007,na,JVASP-60279,0.692,0.0,23.81,NbS2,3,P-6m2,OptB88vdW,187,na,na,na,-1.03008 +3.7733333333333334,700,43.57666666666666,11.7419,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,70.27,na,-2.77996,3.874,na,3.999,na,na,JVASP-60280,na,0.19,na,UBr4,10,C2/m,OptB88vdW,12,na,na,na,-1.28049 +122.08666666666666,750,-1.2533333333333332,13.2295,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,80,0.0,na,na,na,na,-5.02336,0.0,na,0.0,na,na,JVASP-60285,na,0.0,na,ReBiO4,12,Pmma,OptB88vdW,51,na,na,na,-1.14512 +360.7533333333334,700,314.58666666666664,2.8793,na,"{'p': [3.16, 3.16, 235.79], 'n': [3.8, 3.8, 851.85]}",SingleLayer,na,50,0.0,na,na,69.56,na,-3.2532,0.0,na,0.0,0.003,na,JVASP-6370,na,2.012,na,ScAgP2S6,10,P312,OptB88vdW,149,na,na,na,-0.64849 +na,600,na,6.3097,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,na,na,-3.74662,0.0,na,0.0,0.116,na,JVASP-60322,0.49,0.524,14.73,Nb2SiTe4,14,P2_1/c,OptB88vdW,14,na,na,na,-0.36763 +na,750,na,2.5156,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,90,0.0,na,na,na,na,-3.13043,0.0,na,0.0,na,na,JVASP-60324,na,0.0,na,RuCl2O,4,Pmmm,OptB88vdW,47,na,na,na,-0.76479 +806.1433333333334,800,310.36,2.2214,na,"{'p': [3.39, 3.39, 3381.89], 'n': [0.71, 0.71, 34861.18]}",SingleLayer,na,25,0.0,na,na,38.42,na,-4.71841,0.0,na,0.0,0.014,na,JVASP-60564,4.04,3.646,0.01,PrBrO,6,P-3m1,OptB88vdW,164,na,na,na,-2.93595 +64.61333333333333,850,-45.95333333333334,2.9013,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,70,0.0,na,na,49.87,na,-3.38217,0.0,"[[27.0, 13.9, -1.0, -0.0, 0.0, -0.0], [13.9, 27.0, -1.0, 0.0, 0.0, -0.0], [-2.6, -2.6, -2.7, 0.0, 0.0, -0.0], [0.0, -0.0, 0.0, 2.6, -0.0, -0.0], [0.0, 0.0, 0.0, 0.0, 0.2, 0.0], [-0.0, -0.0, -0.0, 0.0, 0.0, 0.2]]",0.0,0.03,na,JVASP-14456,na,0.0,na,CoO2,3,P6/mmm,OptB88vdW,191,na,na,na,0.21403 +535.2133333333333,500,164.28333333333333,5.5816,na,"{'p': [0.64, 0.64, 144.14], 'n': [1.14, 1.14, 120.12]}",SingleLayer,na,25,0.0,na,na,79.55,na,-4.48271,0.0,"[[111.7, 26.8, 0.2, -0.0, 0.0, -0.0], [26.8, 111.7, 0.2, -0.0, -0.0, 0.0], [0.4, 0.4, 0.5, -0.0, -0.0, -0.0], [-0.0, -0.0, -0.0, 18.2, 0.0, -0.0], [-0.0, -0.0, -0.0, 0.0, 0.2, -0.0], [-0.0, 0.0, -0.0, -0.0, -0.0, 0.2]]",0.0,0.01,na,JVASP-60566,na,1.249,na,MoSe2,3,P-6m2,OptB88vdW,187,na,na,na,-0.59137 +2.853333333333333,500,4.0633333333333335,4.6316,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,94.06,na,-4.43649,0.0,"[[87.4, 31.2, 0.2, -0.0, 0.0, 0.0], [31.2, 87.4, 0.2, -0.0, -0.0, 0.0], [0.5, 0.5, 0.5, -0.0, 0.0, 0.0], [-0.0, -0.0, -0.0, 12.0, 0.0, 0.0], [0.0, -0.0, 0.0, 0.0, 0.2, -0.0], [0.0, 0.0, 0.0, 0.0, -0.0, 0.2]]",0.0,0.025,na,JVASP-60567,na,0.0,na,NbSe2,3,P-6m2,OptB88vdW,187,na,na,na,-0.76432 +8.503333333333332,750,31.473333333333333,16.877,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,80,0.0,na,na,49.72,na,-1.9104,0.0,na,0.0,1.135,na,JVASP-60286,na,0.0,na,AlPd5I2,8,P4/mmm,OptB88vdW,123,na,na,na,-0.35118 +na,650,na,17.1969,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,66.03,na,-1.10618,1.877,na,1.999,na,na,JVASP-60287,na,0.939,na,NiCl2,3,P-3m1,OptB88vdW,164,na,na,na,-0.55825 +317.5,750,246.03,4.987,na,"{'p': [4.7, 10.01, 614.88], 'n': [2.15, 9.71, 704.15]}",SingleLayer,na,40,0.0,na,na,68.02,na,-4.79732,0.0,na,0.0,0.256,na,JVASP-60494,na,1.24,na,Re3Se4Cl,16,P-1,OptB88vdW,2,na,na,na,-0.39054 +na,750,na,1.6354,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-5.73809,0.0,na,0.0,0.014,na,JVASP-60573,na,2.628,na,WO2F2,5,Amm2,OptB88vdW,38,na,na,na,-2.54522 +na,700,na,10.4576,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,57.61,na,-3.41804,1.965,na,1.999,na,na,JVASP-60578,0.015,0.007,5.84,CrP2S7,10,C2,OptB88vdW,5,na,na,na,-0.23617 +na,850,na,11.7028,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,58.83,na,-6.36024,0.936,"[[110.5, 2.2, -2.7, 0.0, -0.0, -0.0], [2.2, 110.5, -2.7, 0.0, 0.0, -0.0], [-7.2, -7.2, -4.2, 0.0, 0.0, -0.0], [0.0, 0.0, 0.0, 20.5, 0.0, -0.0], [-0.1, 0.1, 0.0, 0.0, 0.4, -0.0], [-0.0, -0.0, -0.0, -0.0, -0.0, 0.4]]",1.0,na,na,JVASP-14457,na,0.0,na,VO2,3,P-3m1,OptB88vdW,164,na,na,na,-2.28804 +na,650,na,1.6624,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,75.82,na,-3.09683,0.0,"[[81.3, 12.4, -0.4, 0.0, -0.0, 0.0], [12.4, 81.3, -0.4, 0.0, -0.0, 0.0], [-1.1, -1.1, -0.8, 0.0, -0.0, 0.0], [0.0, 0.0, 0.0, 9.7, 0.0, 0.0], [-0.0, -0.0, -0.0, 0.0, -19.7, -0.0], [0.0, 0.0, 0.0, 0.0, -0.0, -19.7]]",0.0,0.0,na,JVASP-60289,6.227,2.276,0.0,CaClF,6,P4/nmm,OptB88vdW,129,na,7.74,na,-3.31174 +na,650,na,22.6123,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,73.59,na,-0.68401,1.845,na,1.998,na,na,JVASP-60290,na,0.61,na,NiBr2,3,P3m1,OptB88vdW,156,na,na,na,-0.29916 +1571.743333333333,850,246.3133333333333,2.1386,na,"{'p': [1.96, 1.96, 635.15], 'n': [0.78, 0.78, 7704.88]}",SingleLayer,na,30,0.0,na,na,50.17,na,-5.41019,0.0,na,0.0,0.006,na,JVASP-60579,5.495,4.805,0.0,YBrO,6,P4/nmm,OptB88vdW,129,na,na,na,-3.08723 +405.5133333333333,750,258.9866666666667,6.2952,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-3.84219,2.903,na,2.992,na,na,JVASP-60582,0.042,0.296,5.84,CoTeO4,6,P2/m,OptB88vdW,10,na,na,na,-0.77249 +867.9333333333334,1300,248.60666666666665,2.0871,na,"{'p': [4.71, 2.43, 19752.43], 'n': [0.57, 3.67, 94972.41]}",SingleLayer,na,25,0.0,na,na,na,na,-3.76,0.0,"[[0.0, 0.0, 5e-324, 1e-323, 1e-323, 1.5e-323], [0.0, 1e-323, 5e-324, 0.0, 1e-323, 5e-324], [0.0, 0.0, 0.0, 0.0, 0.0, 0.0], [0.0, 5e-324, 5e-324, 1e-323, 1.5e-323, 1.5e-323], [5e-324, 0.0, 1e-323, 5e-324, 0.0, 1e-323], [0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]",0.0,0.004,na,JVASP-60331,na,3.781,na,ZnAs2O4,14,P2_1,OptB88vdW,4,na,na,na,-1.3454 +na,750,na,39.1862,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,43.28,na,-3.18433,1.166,na,1.317,na,na,JVASP-60332,0.0,0.0,na,CeSiI,6,P-3m1,OptB88vdW,164,na,na,na,-0.9695 +978.8633333333333,900,149.50666666666666,3.7577,na,"{'p': [0.74, 0.74, 74.1], 'n': [0.59, 0.59, 1392.05]}",SingleLayer,na,30,0.0,na,na,39.88,na,-5.54972,0.0,"[[160.3, 57.9, 0.2, -0.0, 0.0, 0.0], [57.9, 160.3, 0.2, 0.0, -0.0, -0.0], [0.6, 0.6, 0.7, -0.0, -0.0, 0.0], [-0.0, 0.0, -0.0, 19.0, 0.0, 0.0], [0.0, -0.0, -0.0, 0.0, 0.2, -0.0], [0.0, -0.0, 0.0, 0.0, -0.0, 0.2]]",0.0,0.028,na,JVASP-60495,0.959,0.813,31.59,ZrIN,6,P-3m1,OptB88vdW,164,na,na,na,-1.49113 +21.593333333333334,600,29.036666666666665,17.8712,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,35,0.0,na,na,88.04,na,-4.20459,0.0,na,0.0,0.628,na,JVASP-28125,na,0.0,na,Nb3IrSe8,12,P1,OptB88vdW,1,na,na,na,-0.6288 +na,750,na,10.5925,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,55,0.0,na,na,36.45,na,-1.85431,1.931,na,2.0,na,na,JVASP-60497,na,0.005,na,FeCl3,8,P-31m,OptB88vdW,162,na,na,na,-0.61286 +na,1300,na,50.5363,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,85,0.0,na,na,na,na,-2.0141,0.883,na,1.055,na,na,JVASP-60499,na,0.0,na,CeSi2Au4,7,P4/mmm,OptB88vdW,123,na,na,na,-0.08266 +na,1050,na,14.4312,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,na,na,-5.05198,5.561999999999999,na,6.0,na,na,JVASP-60500,na,0.0,na,PaCl2O,24,Pmc2_1,OptB88vdW,26,na,na,na,-2.59182 +na,750,na,2.0048,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,33.76,na,-5.01695,0.0,"[[125.4, 42.5, -0.0, -0.0, -0.1, 0.0], [42.5, 125.4, -0.0, 0.0, 0.1, -0.0], [-0.1, -0.1, 0.3, -0.0, -0.0, -0.0], [-0.0, 0.0, -0.0, 15.8, 0.0, -0.1], [-0.3, 0.3, -0.0, 0.0, -0.1, 0.0], [0.0, -0.0, -0.0, -0.1, 0.0, -0.1]]",0.0,0.034,na,JVASP-60585,5.278,4.666,0.0,TmClO,6,P-3m1,OptB88vdW,164,na,na,na,-3.30512 +363.8433333333333,750,270.25,10.3175,na,"{'p': [0.1, 0.54, 98.61], 'n': [0.09, 0.44, 79.64]}",SingleLayer,na,55,0.0,na,na,68.95,na,-3.32295,1.927,na,2.0,na,na,JVASP-60589,0.0,0.352,na,NiTeO4,6,P2/m,OptB88vdW,10,na,na,na,-0.75207 +na,750,na,15.7179,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,63.56,na,-4.52074,0.907,na,0.939,na,na,JVASP-60593,na,0.0,na,CoO2,3,C2/m,OptB88vdW,12,na,na,na,-0.92454 +701.57,900,137.10666666666665,1.6183,na,"{'p': [0.56, 0.56, 383.32], 'n': [0.67, 0.67, 119.87]}",SingleLayer,na,20,0.0,na,na,58.9,na,-7.72358,0.0,na,0.0,0.0,na,JVASP-60594,5.917,4.384,0.0,BN,2,P-6m2,OptB88vdW,187,na,na,na,-1.31309 +na,1150,na,1.7078,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,88.1,na,-5.999,0.0,"[[0.0, 0.0, 5e-324, 1e-323, 1e-323, 1.5e-323], [0.0, 1e-323, 5e-324, 0.0, 1e-323, 5e-324], [0.0, 0.0, 0.0, 0.0, 0.0, 0.0], [0.0, 5e-324, 5e-324, 1e-323, 1.5e-323, 1.5e-323], [5e-324, 0.0, 1e-323, 5e-324, 0.0, 1e-323], [0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]",0.0,0.0,na,JVASP-60504,4.457,3.944,0.0,ScHO2,8,Pmn2_1,OptB88vdW,31,na,na,na,-2.67305 +558.4633333333334,500,232.05999999999997,6.8017,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,75,0.0,na,na,309.41,na,-2.2209,0.0,na,0.0,0.016,na,JVASP-60337,0.441,0.317,12.11,Ag3SnP7,11,P1,OptB88vdW,1,na,na,na,0.25206 +614.5566666666667,1250,291.56666666666666,1.3141,na,"{'p': [14.94, 1247.83, 219037.99], 'n': [1.23, 2.89, 349.12]}",SingleLayer,na,20,0.0,na,na,77.6,na,-4.91983,0.0,na,0.001,0.0,na,JVASP-60505,5.843,4.688,0.0,AlH3O3,14,P-1,OptB88vdW,2,na,na,na,-1.75764 +na,700,na,2.0432,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,78.64,na,-3.57113,0.0,na,0.0,0.005,na,JVASP-60426,1.74,1.359,28.55,NbP2S8,22,Cm,OptB88vdW,8,na,na,na,-0.36564 +608.4066666666666,650,272.12666666666667,na,na,"{'p': [2.33, 2.33, 25190.23], 'n': [0.18, 0.18, 40.02]}",SingleLayer,na,30,0.0,na,na,59.1,na,-1.15612,0.0,na,0.0,0.007,na,JVASP-6853,na,1.872,na,GaSe,4,P-6m2,OptB88vdW,187,na,na,na,-0.52314 +193.28666666666666,800,268.07,7.7061,na,"{'p': [1.49, 1.49, 413.85], 'n': [0.37, 0.37, 0.91]}",SingleLayer,na,45,0.0,na,na,45.93,na,-0.752,0.0,na,0.0,0.056,na,JVASP-60595,1.424,0.654,33.37,GaGeTe,6,P-3m1,OptB88vdW,164,na,na,na,-0.1869 +337.5933333333333,900,276.02666666666664,1.6941,na,"{'p': [4.09, 4.09, 811364.15], 'n': [1.09, 1.09, 629386.31]}",SingleLayer,na,20,0.0,na,na,49.34,na,-2.80203,0.0,"[[45.6, 65.4, 0.0, 0.0, -0.0, 0.0], [65.4, 45.6, 0.0, -0.0, 0.0, -0.0], [0.2, 0.2, -0.5, -0.0, -0.0, 0.0], [0.0, -0.0, -0.0, -3.1, 0.0, 0.0], [-0.0, 0.0, -0.0, 0.0, 0.1, 0.0], [0.0, -0.0, 0.0, 0.0, 0.0, 0.1]]",0.0,0.008,na,JVASP-14458,na,0.947,na,TeO3,4,P-6m2,OptB88vdW,187,na,na,na,-0.09269 +na,900,na,1.661,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,140.22,na,-5.35368,0.0,"[[41.2, 30.9, -1.0, 0.2, -0.0, -0.1], [30.9, 42.0, -0.8, 0.2, -0.0, -0.1], [-2.1, -1.8, -1.5, 0.3, -0.0, -0.2], [0.4, 0.5, 0.3, 13.5, 0.0, 0.1], [-0.0, -0.0, -0.0, 0.0, -0.2, -0.0], [-0.3, -0.3, -0.2, 0.1, -0.0, -0.0]]",0.0,0.013,na,JVASP-60433,na,1.781,na,ZnWO4,6,P2,OptB88vdW,3,na,na,na,-1.90808 +433.67333333333335,850,208.61,1.9964,na,"{'p': [1.12, 1.12, 615.7], 'n': [0.68, 0.68, 1347.68]}",SingleLayer,na,25,0.0,na,na,94.14,na,-2.00053,0.0,na,0.0,0.002,na,JVASP-9059,na,0.968,na,RbLiS,6,P4/nmm,OptB88vdW,129,na,1.89,na,-1.27279 +103.51333333333334,800,103.85666666666667,1.942,na,"{'p': [0.07, 0.07, 978.55], 'n': [0.08, 0.08, 1079.06]}",SingleLayer,na,20,0.0,na,na,161.3,na,-3.02296,0.821,"[[35.4, 27.9, 0.6, -0.0, 0.0, 0.0], [27.9, 35.4, 0.6, -0.0, 0.0, 0.0], [1.6, 1.6, 0.5, -0.0, 0.0, 0.0], [-0.0, -0.0, -0.0, 1.5, -0.0, -0.0], [0.0, 0.0, 0.0, -0.0, 0.5, 0.0], [0.0, 0.0, 0.0, -0.0, 0.0, 0.5]]",1.0,na,na,JVASP-14459,na,0.334,na,BiO2,3,P-6m2,OptB88vdW,187,na,na,na,-0.48464 +na,1300,na,1.6412,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,51.6,na,-3.86749,0.0,"[[0.0, 0.0, 5e-324, 5e-324, 1e-323, 1e-323], [0.0, 1e-323, 0.0, 1e-323, 0.0, 1e-323], [0.0, 0.0, 0.0, 0.0, 0.0, 0.0], [0.0, 0.0, 5e-324, 5e-324, 1e-323, 1e-323], [5e-324, 1.5e-323, 5e-324, 1.5e-323, 5e-324, 1.5e-323], [0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]",0.0,0.008,na,JVASP-60507,2.312,2.045,16.36,TeH2O4,14,Pc,OptB88vdW,7,na,na,na,-0.88348 +641.5233333333333,800,251.6933333333333,1.7543,na,"{'p': [5.45, 0.85, 15830.7], 'n': [0.47, 1.17, 8368.18]}",SingleLayer,na,25,0.0,na,na,40.42,na,-4.92634,0.0,"[[106.6, 24.2, -0.1, 0.0, -0.0, -0.0], [24.2, 89.0, -0.2, 0.0, -0.0, 0.0], [-0.4, -0.5, -0.5, 0.0, -0.0, 0.0], [0.0, 0.0, 0.0, 13.5, 0.0, 0.0], [-0.0, -0.0, -0.0, 0.0, -0.3, -0.0], [-0.0, 0.0, 0.0, 0.0, -0.0, -0.1]]",0.0,0.031,na,JVASP-13529,na,5.347,na,ErClO,6,Pmmn,OptB88vdW,59,na,na,na,-3.20869 +na,800,na,18.76,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,75,0.0,na,na,85.53,na,-4.74847,0.0,na,0.0,0.078,na,JVASP-60596,0.0,0.0,na,Ta2PdS6,9,C2/m,OptB88vdW,12,na,na,na,-0.84664 +391.80333333333334,1150,251.78999999999996,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,69.91,na,-3.84244,2.903,na,2.993,na,na,JVASP-13535,na,0.297,na,CoTeO4,6,P2/m,OptB88vdW,10,na,na,na,-0.77274 +101.22000000000001,800,173.97666666666666,na,na,"{'p': [0.01, 0.01, 0.44], 'n': [0.01, 0.01, 0.41]}",SingleLayer,na,70,0.0,na,na,250.04,na,-0.3066,0.0,na,0.001,0.022,na,JVASP-6856,na,0.249,na,Na3As,4,P-6m2,OptB88vdW,187,na,na,na,-0.24057 +179.91,600,151.69,3.9369,na,"{'p': [0.72, 0.72, 221.41], 'n': [0.29, 0.29, 155.56]}",SingleLayer,na,35,0.0,na,na,101.49,na,-0.70933,0.0,"[[42.6, 5.6, 1.2, 0.0, 0.0, 0.0], [5.6, 42.6, 1.2, 0.0, 0.0, 0.0], [3.2, 3.2, 1.9, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 5.3, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.2, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.2]]",0.0,0.018,na,JVASP-8867,na,0.505,na,KAgSe,6,P4/nmm,OptB88vdW,129,na,1.34,na,-0.62309 +na,500,na,13.0098,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,50,0.0,na,na,88.3,na,-4.06834,0.0,na,0.0,0.114,na,JVASP-60597,na,0.0,na,Ta2PdSe6,9,C2/m,OptB88vdW,12,na,na,na,-0.60092 +15.083333333333334,1000,5.6433333333333335,34.5959,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,35,0.0,na,na,57.02,na,-5.47285,2.043,"[[64.0, 17.8, -0.1, -0.0, 0.0, 0.0], [17.8, 64.0, -0.1, 0.0, -0.0, 0.0], [-0.1, -0.1, 0.0, -0.0, -0.0, 0.0], [-0.0, -0.0, -0.0, 23.7, 0.0, 0.0], [0.0, -0.0, -0.0, 0.0, 0.4, -0.0], [0.0, 0.0, 0.0, 0.0, -0.0, 0.4]]",1.996,na,na,JVASP-14460,na,0.0,na,Cr3O8,11,P-3m1,OptB88vdW,164,na,na,na,-1.4013 +na,750,na,15.7539,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,62.87,na,-4.52092,0.907,na,0.94,na,na,JVASP-60599,na,0.0,na,CoO2,3,P-1,OptB88vdW,2,na,na,na,-0.92472 +na,500,na,42.5998,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,75,0.0,na,na,na,na,-3.57711,3.664,na,3.59,na,na,JVASP-60603,0.0,0.0,na,TaFeTe3,10,P2_1/m,OptB88vdW,11,na,na,na,-0.14633 +1388.2266666666667,600,76.60000000000001,7.484,na,"{'p': [0.13, 0.13, 1.09], 'n': [0.12, 0.12, 0.82]}",SingleLayer,na,70,0.0,na,na,na,na,-1.53049,0.0,na,0.001,0.028,na,JVASP-60604,1.249,1.106,33.35,SnSe,4,P4/nmm,OptB88vdW,129,na,na,na,-0.3272 +na,500,na,5.4413,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,98.02,na,-1.76762,0.0,na,0.0,0.089,na,JVASP-60607,1.659,1.37,29.97,Al2Te5,7,C2/m,OptB88vdW,12,na,na,na,-0.25819 +837.69,750,301.81333333333333,2.5019,na,"{'p': [0.51, 0.51, 6928.17], 'n': [1.02, 1.02, 774.77]}",SingleLayer,na,35,0.0,na,na,47.0,na,-4.38076,0.0,"[[134.2, 25.6, -0.1, 0.0, 0.0, -0.0], [25.6, 134.2, -0.1, 0.0, 0.0, -0.0], [-0.3, -0.3, -0.3, 0.0, 0.0, -0.0], [0.0, 0.0, 0.0, 16.4, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [-0.0, -0.0, -0.0, 0.0, 0.0, 0.1]]",0.0,0.057,na,JVASP-60609,3.915,3.42,0.08,LuIO,6,P4/nmm,OptB88vdW,129,na,na,na,-2.85983 +592.6366666666667,850,268.9266666666667,2.1456,na,"{'p': [1.77, 1.77, 521.62], 'n': [0.41, 0.41, 10326.87]}",SingleLayer,na,30,0.0,na,na,46.78,na,-4.71163,0.0,na,0.001,0.044,na,JVASP-60610,na,4.592,na,LuBrO,6,P4/nmm,OptB88vdW,129,na,na,na,-3.08604 +821.3733333333333,500,128.46666666666667,4.0103,na,"{'p': [0.64, 0.64, 1611.23], 'n': [0.58, 0.58, 5041.7]}",SingleLayer,na,25,0.0,na,na,80.24,na,-4.48259,0.0,"[[111.8, 26.8, 0.5, 0.0, 0.0, 0.0], [26.8, 111.8, 0.5, 0.0, 0.0, 0.0], [1.8, 1.8, 2.5, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 12.0, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.2, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.2]]",0.0,0.01,na,JVASP-649,na,1.446,na,MoSe2,3,P-6m2,OptB88vdW,187,na,2.24,na,-0.59126 +1245.1833333333332,650,69.49666666666667,6.8748,na,"{'p': [0.12, 0.12, 1.42], 'n': [0.11, 0.11, 1.05]}",SingleLayer,na,70,0.0,na,na,na,na,-1.53069,0.0,"[[47.5, 25.7, 0.4, 0.0, 0.0, 0.0], [25.7, 47.5, 0.4, 0.0, 0.0, 0.0], [0.9, 0.9, 0.8, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 13.4, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.0,0.028,na,JVASP-6025,na,1.106,na,SnSe,4,P4/nmm,OptB88vdW,129,na,na,na,-0.32739 +1571.1133333333335,500,219.29,4.5899,na,"{'p': [1.44, 1.96, 658.64], 'n': [0.16, 1.42, 61.73]}",SingleLayer,na,45,0.0,na,na,na,na,-3.42071,0.0,na,0.0,0.013,na,JVASP-60612,na,1.402,na,SiAs2,12,Pmc2_1,OptB88vdW,26,na,na,na,0.02633 +52.53999999999999,500,46.70666666666667,na,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,50,0.0,na,na,na,na,-3.11235,0.0,na,0.001,0.751,na,JVASP-6880,na,0.0,na,CrSb2,3,P-3m1,OptB88vdW,164,na,na,na,0.44193 +135.0,500,331.33666666666664,8.8693,na,"{'p': [1.1, 1.1, 58.1], 'n': [0.13, 0.13, 10.74]}",SingleLayer,na,65,0.0,na,na,48.72,na,-1.85677,0.0,na,0.0,0.289,na,JVASP-28127,1.139,1.005,33.83,Bi2PbSe4,7,P-3m1,OptB88vdW,164,na,na,na,-0.4088 +1215.8233333333335,600,28.99666666666667,na,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,65,0.0,na,na,na,na,-2.7572,0.0,na,0.0,na,na,JVASP-6640,na,0.027,na,MgAl2S3,6,P3m1,OptB88vdW,156,na,na,na,-0.94527 +167.09333333333333,750,229.08,1.552,na,"{'p': [2.71, 27.97, 667.82], 'n': [1.42, 16.95, 407.86]}",SingleLayer,na,25,0.0,na,na,na,na,-2.34077,0.0,na,0.0,0.01,na,JVASP-60340,6.215,1.417,0.0,BaAl2Cl8,22,P2/c,OptB88vdW,13,na,na,na,-1.86579 +na,500,na,16.551,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,120,0.0,na,na,na,na,-2.77116,0.0,na,0.0,na,na,JVASP-60341,na,0.0,na,PrTe2Se,8,P4/nmm,OptB88vdW,129,na,na,na,-1.13812 +492.25333333333333,750,253.66666666666666,2.4223,na,"{'p': [0.96, 0.96, 441.03], 'n': [0.56, 0.56, 9185.0]}",SingleLayer,na,30,0.0,na,na,na,na,-4.69298,0.0,"[[93.3, 17.7, 0.7, 0.0, 0.0, -0.0], [17.7, 93.3, 0.7, 0.0, 0.0, -0.0], [1.8, 1.8, 1.2, 0.0, 0.0, -0.0], [0.0, 0.0, 0.0, 14.0, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.5, 0.0], [-0.0, -0.0, -0.0, 0.0, 0.0, 0.5]]",0.0,0.028,na,JVASP-60346,3.438,3.74,1.54,LaIO,6,P4/nmm,OptB88vdW,129,na,na,na,-2.92883 +na,1250,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,na,na,-7.08993,0.0,na,0.0,na,na,JVASP-60348,na,2.527,na,UB2O6,9,C2,OptB88vdW,5,na,na,na,-2.74397 +342.9566666666667,750,223.26333333333332,1.5384,na,"{'p': [2.21, 6.34, 735.79], 'n': [1.46, 4.15, 511.78]}",SingleLayer,na,25,0.0,na,na,54.99,na,-2.28322,0.0,na,0.0,0.004,na,JVASP-60510,6.54,1.805,0.0,SrAl2Cl8,22,P2/c,OptB88vdW,13,na,na,na,-1.84693 +na,750,na,3.3495,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,88.81,na,-1.6338,0.0,na,0.0,0.072,na,JVASP-60439,na,1.368,na,PdSe8Cl2,22,P2_1/c,OptB88vdW,14,na,na,na,-0.0619 +452.9866666666667,650,227.10666666666668,3.1068,na,"{'p': [2.44, 5.65, 334.51], 'n': [1.84, 1.53, 177.63]}",SingleLayer,na,25,0.0,na,na,127.53,na,-2.75138,0.0,na,0.0,0.006,na,JVASP-60512,na,1.718,na,As2S3,10,P1,OptB88vdW,1,na,na,na,-0.01514 +na,950,na,12.3197,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,75,0.0,na,na,na,na,-3.8656,0.0,na,0.0,na,na,JVASP-60514,na,0.0,na,Zr2HBr2,10,P2_1/m,OptB88vdW,11,na,na,na,-0.93009 +248.01666666666665,600,182.83666666666667,na,na,"{'p': [3.23, 3.35, 53.94], 'n': [1.18, 5.33, 92.83]}",SingleLayer,na,30,0.0,na,na,na,na,-1.72949,0.0,na,0.0,0.346,na,JVASP-60291,na,1.72,na,ThI4,20,P2_1/c,OptB88vdW,14,na,na,na,-1.17178 +183.21666666666667,650,202.90333333333334,na,na,"{'p': [1.03, 1.03, 1957.89], 'n': [1.28, 1.28, 966225.89]}",SingleLayer,na,25,0.0,na,na,70.53,na,-2.47897,0.0,na,0.0,0.004,na,JVASP-6385,na,1.029,na,InAgP2S6,10,P312,OptB88vdW,149,na,na,na,-0.2863 +na,750,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,80,0.0,na,na,39.44,na,-5.10958,0.0,na,0.0,0.015,na,JVASP-60515,na,0.0,na,YCBr,6,P-1,OptB88vdW,2,na,na,na,-1.17978 +na,750,na,49.6166,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-6.79766,9.723,na,10.0,na,na,JVASP-60521,0.0,0.0,na,PuIO,6,P4/nmm,OptB88vdW,129,na,na,na,-2.53373 +na,600,na,25.1679,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,65,0.0,na,na,na,na,-2.57922,3.839,na,3.989,na,na,JVASP-60522,na,0.0,na,UTe5,12,P2_1,OptB88vdW,4,na,na,na,-0.24267 +na,500,na,14.6229,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,74.7,na,-2.61071,1.773,na,1.999,na,na,JVASP-60525,na,0.009,na,VAgP2Se6,10,C2,OptB88vdW,5,na,na,na,-0.16354 +na,600,na,3.3582,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,87.8,na,-3.48612,0.0,"[[0.0, 0.0, 5e-324, 5e-324, 1e-323, 1e-323], [0.0, 1e-323, 0.0, 1e-323, 0.0, 1e-323], [0.0, 0.0, 0.0, 0.0, 0.0, 0.0], [0.0, 0.0, 5e-324, 5e-324, 1e-323, 1e-323], [5e-324, 1.5e-323, 5e-324, 1.5e-323, 5e-324, 1.5e-323], [0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]",0.0,0.114,na,JVASP-60349,0.976,0.881,31.73,Ta3SBr7,11,Cm,OptB88vdW,8,na,na,na,-0.89188 +na,750,na,3.0607,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,na,na,-2.67165,2.914,na,3.002,na,na,JVASP-60353,0.075,0.461,5.84,CoCl2O8,11,P-3,OptB88vdW,147,na,na,na,0.08277 +na,500,na,2.721,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,87.95,na,-0.39716,0.0,na,0.0,0.065,na,JVASP-60526,3.014,2.157,4.47,PbI2,3,P-3m1,OptB88vdW,164,na,na,na,-0.57131 +na,750,na,19.5032,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,45,0.0,na,na,na,na,-4.85685,0.0,na,0.0,na,na,JVASP-60528,0.0,0.0,na,Nb3IrS8,12,P1,OptB88vdW,1,na,na,na,-0.84664 +na,750,na,2.5054,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,na,na,-2.43417,1.946,"[[-0.0, 2.220446049250313e-16, 9.999999903698154e-07, 2.220446049250313e-16, 9.999999903698154e-07, 0.0], [-0.0, 0.9999990000000099, 2.220446049250313e-16, 2.220446049250313e-16, 5.551115069667519e-23, 0.9999990000000099], [-0.0, 0.0, 0.0, 0.13465200000000266, 0.13465200000000266, 0.13465200000000266], [0.3333339999999937, 0.3333339999999936, 0.3333330000000032, 0.3333339999999936, 0.3333330000000033, 0.3333339999999936], [0.6666660000000066, 0.6666669999999968, 0.6666660000000064, 0.6666660000000064, 0.6666660000000066, 0.6666669999999968], [0.13465200000000266, 0.13465200000000266, 0.13465200000000266, -0.0, 0.0, 0.0]]",2.0,na,na,JVASP-60529,-0.0,0.002,0.0,Li2UBr6,9,P-31m,OptB88vdW,162,na,na,na,-1.42078 +na,500,na,8.9223,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,45,0.0,na,na,na,na,-2.86008,0.0,na,0.0,0.024,na,JVASP-60530,0.271,0.24,5.84,Y2GeI2,5,P-3m1,OptB88vdW,164,na,na,na,-1.26788 +739.9633333333333,500,101.08666666666666,8.1894,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,65,0.0,na,na,278.16,na,-2.54761,0.0,na,0.0,0.137,na,JVASP-60356,0.17,0.107,5.84,SnP7Au3,11,P1,OptB88vdW,1,na,na,na,0.17907 +623.73,500,297.56333333333333,12.6085,na,"{'p': [0.91, 0.91, 25.5], 'n': [0.15, 0.15, 80.67]}",SingleLayer,na,70,0.0,na,na,55.67,na,-1.31582,0.0,"[[-0.0, -0.0, 0.9999990000000096, 0.6666660000000064, 0.6666669999999968, 0.6666660000000064], [-0.0, 9.999999903698154e-07, 0.0, 0.3333339999999936, 0.3333339999999936, 0.3333330000000032], [-0.0, -0.0, 0.0, -2.2204460492503136e-16, -2.2204460492503136e-16, -2.2204460492503136e-16], [0.6666660000000064, 0.6666660000000064, 0.6666669999999968, 0.0, 0.9999990000000096, -0.0], [0.3333339999999936, 0.3333330000000032, 0.3333339999999936, 0.0, 0.0, 9.999999903698154e-07], [-2.2204460492503136e-16, -2.2204460492503136e-16, -2.2204460492503136e-16, 0.0, -0.0, -0.0]]",0.0,0.43,na,JVASP-28130,1.268,1.077,33.24,Bi2Te4Pb,7,P-3m1,OptB88vdW,164,na,na,na,-0.23203 +na,750,na,25.1181,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-2.87025,5.366,"[[0.0, 4.6113808104264464e-06, 0.5000071481740551, 0.5000071481740551, -1.6653317205314657e-16, 4.611380810537469e-06], [0.0, 0.4999928518259448, 0.4999974632067554, 0.4999928518259449, 0.4999974632067553, 0.0], [0.0, 0.0, 0.0, 0.12173998290876176, 0.12173998290876176, 0.12173998290876176], [7.839703243694984e-06, 3.228322433268538e-06, 0.5000006915291886, 0.5000006915291885, 7.839703243917029e-06, 3.2283224331575155e-06], [0.9999935433551335, 0.5000006915291887, 0.49999608014837804, 0.5000006915291887, 0.49999608014837804, 0.9999935433551335], [0.12173998290876176, 0.12173998290876176, 0.12173998290876176, 0.0, 0.0, 0.0]]",5.999,0.013,na,JVASP-60536,na,0.923,na,MoCl3,8,P-31m,OptB88vdW,162,na,na,na,-0.77862 +na,850,na,20.8426,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,41.34,na,-4.65756,3.656,"[[110.2, 33.6, -0.5, 0.0, -0.0, -0.0], [33.6, 55.7, -1.1, 0.0, -0.0, -0.0], [-1.3, -2.7, -1.1, 0.0, -0.0, -0.0], [0.0, 0.0, 0.0, 9.5, 0.0, 0.0], [-0.0, -0.0, -0.0, 0.0, -0.2, 0.0], [-0.0, -0.0, -0.0, 0.0, 0.0, -0.2]]",3.999,0.03,na,JVASP-60357,na,0.0,na,VBrO,6,Pmmn,OptB88vdW,59,na,na,na,-1.69222 +na,750,na,15.7622,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,67.15,na,-4.52076,0.908,na,0.94,na,na,JVASP-60359,na,0.0,na,CoO2,3,P-3m1,OptB88vdW,164,na,na,na,-0.92456 +na,500,na,4.0623,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,105.23,na,-1.16552,0.0,na,0.0,0.154,na,JVASP-60360,2.02,1.718,22.52,BiTeBr,3,P3m1,OptB88vdW,156,na,na,na,-0.39859 +na,950,na,20.2096,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,75.84,na,-6.61569,2.022,na,2.003,na,na,JVASP-60361,0.0,0.0,na,UTeN,6,P4/nmm,OptB88vdW,129,na,na,na,-1.27421 +na,900,na,3.8876,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,131.73,na,-0.5429,0.0,na,0.0,0.154,na,JVASP-60293,1.259,1.152,33.27,PdI2,12,P2_1/c,OptB88vdW,14,na,na,na,-0.08879 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,55,0.0,na,na,83.68,na,-4.94472,-0.004,na,0.008,1.049,na,JVASP-5926,na,0.0,na,TaSe2,3,P-6m2,OptB88vdW,187,na,na,na,-0.73006 +na,650,na,2.2354,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,45,0.0,na,na,132.27,na,1.01153,0.0,na,0.0,0.227,na,JVASP-60440,2.164,1.797,19.41,HgI2,12,P-4m2,OptB88vdW,115,na,na,na,-0.02157 +na,650,na,10.6175,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,55,0.0,na,na,92.57,na,-4.90027,0.0,na,0.0,0.822,na,JVASP-60362,na,0.0,na,TiNbS4,6,P2/m,OptB88vdW,10,na,na,na,-1.16324 +222.89666666666665,500,279.9533333333333,2.7222,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,88.74,na,-0.39692,0.0,na,0.0,0.065,na,JVASP-60442,2.93,2.639,5.53,PbI2,3,P-3m1,OptB88vdW,164,na,na,na,-0.57107 +46.876666666666665,900,223.67333333333332,22.2323,na,"{'p': [4.11, 4.11, 2553.21], 'n': [62.25, 62.25, 11419.3]}",SingleLayer,na,25,0.0,na,na,na,na,-2.77599,5.601999999999999,"[[0.0, 0.0, 0.9999979999999979, 0.0, 0.9999979999999979, 0.0], [0.0, 2.0000000020559128e-06, 0.0, 0.0, 0.0, 2.0000000020559128e-06], [0.0, 0.0, 0.0, 0.11752692751561589, 0.11752692751561589, 0.11752692751561589], [0.9999986666666653, 0.9999986666666654, 6.666666673149635e-07, 0.9999986666666654, 6.666666673149635e-07, 0.9999986666666653], [1.333333334629927e-06, 0.9999993333333327, 1.333333334629927e-06, 1.333333334629927e-06, 1.333333334629927e-06, 0.9999993333333327], [0.11752692751561589, 0.11752692751561589, 0.11752692751561589, 0.0, 0.0, 0.0]]",6.0,na,na,JVASP-60443,na,1.704,na,CrCl3,8,P-31m,OptB88vdW,162,na,na,na,-1.08339 +na,950,na,21.3342,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,51.43,na,-6.18381,3.666,na,4.0,1.201,na,JVASP-60294,0.0,0.0,na,UIN,6,P4/nmm,OptB88vdW,129,na,na,na,-1.38931 +na,750,na,3.7931,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,85.96,na,-2.80253,0.253,na,0.307,na,na,JVASP-60295,0.918,0.039,30.66,Nb3Br8,11,P3m1,OptB88vdW,156,na,na,na,-0.88994 +3792.98,650,151.14333333333335,5.5521,na,"{'p': [1.98, 0.22, 45.31], 'n': [0.64, 2.39, 31.74]}",SingleLayer,na,65,0.0,na,na,58.41,na,-3.86907,0.0,na,0.0,0.051,na,JVASP-6019,na,0.526,na,ZrSe3,8,P2_1/m,OptB88vdW,11,na,na,na,-1.04529 +288.04333333333335,1300,362.82,1.6323,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,105.46,na,-5.03379,0.0,"[[0.265105, 0.301594, 0.238421, 0.854728, 0.145272, 0.764716], [0.75, 0.25, 0.433281, 0.75, 0.25, 0.933281], [0.06787, 0.026456, 0.060325, 0.036889, 0.963111, 0.939675], [0.734895, 0.698406, 0.235284, 0.381052, 0.618948, 0.764716], [0.25, 0.75, 0.066719, 0.75, 0.25, 0.566719], [0.93213, 0.973544, 0.060325, 0.986295, 0.013705, 0.939675]]",0.0,0.008,na,JVASP-60363,5.108,4.168,0.0,SbPO4,12,P2_1/m,OptB88vdW,11,na,na,na,-1.87777 +742.0999999999999,500,129.80999999999997,29.9236,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,na,na,-2.89179,5.662999999999999,na,5.998,na,na,JVASP-60365,0.0,0.559,na,CrSiTe3,10,P-31m,OptB88vdW,162,na,na,na,-0.0545 +117.32333333333334,600,291.16333333333336,3.2833,na,"{'p': [3.45, 3.45, 47561.01], 'n': [0.2, 0.2, 91.28]}",SingleLayer,na,35,0.0,na,na,68.03,na,-1.03705,0.0,na,0.0,0.012,na,JVASP-6079,na,1.469,na,InSe,4,P-6m2,OptB88vdW,187,na,na,na,-0.4382 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,150,0.0,na,na,na,na,-2.7406,0.0,na,0.0,na,na,JVASP-60367,na,0.0,na,NdTe2Se,8,P4/nmm,OptB88vdW,129,na,na,na,-1.12543 +na,750,na,3.6824,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,65,0.0,na,na,na,na,-7.95634,0.0,na,0.0,0.185,na,JVASP-60368,na,0.0,na,C,2,P6/mmm,OptB88vdW,191,na,na,na,0.07195 +na,600,na,4.6568,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,97.28,na,-2.30021,0.0,"[[0.0, 0.0, 5e-324, 5e-324, 1e-323, 1e-323], [0.0, 1e-323, 0.0, 1e-323, 0.0, 1e-323], [0.0, 0.0, 0.0, 0.0, 0.0, 0.0], [0.0, 0.0, 5e-324, 5e-324, 1e-323, 1e-323], [5e-324, 1.5e-323, 5e-324, 1.5e-323, 5e-324, 1.5e-323], [0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]",0.0,0.11,na,JVASP-60447,0.651,0.605,21.72,Nb3TeI7,11,P3m1,OptB88vdW,156,na,na,na,-0.4668 +641.0866666666667,700,125.75333333333333,20.043,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,70,0.0,na,na,464.34,na,-3.00918,0.0,na,0.0,0.021,na,JVASP-60369,na,0.135,na,NiP2,6,P2_1/c,OptB88vdW,14,na,na,na,0.09169 +4.3100000000000005,650,-41.32666666666667,5.7596,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,60,0.0,na,na,91.88,na,-5.68765,0.0,na,0.0,0.416,na,JVASP-5872,na,0.0,na,TaS2,3,P-3m1,OptB88vdW,164,na,na,na,-1.03858 +704.96,500,276.99333333333334,3.5269,na,"{'p': [2.35, 2.35, 5491.72], 'n': [0.19, 0.19, 72.24]}",SingleLayer,na,30,0.0,na,na,58.76,na,-1.15611,0.0,"[[73.1, 17.2, 0.1, 0.0, -0.0, 0.0], [17.2, 73.1, 0.1, -0.0, 0.0, -0.0], [0.3, 0.3, 0.9, 0.0, 0.0, 0.0], [0.0, -0.0, 0.0, 11.3, 0.0, -0.0], [-0.1, 0.1, 0.0, 0.0, -0.3, -0.0], [0.0, -0.0, 0.0, -0.0, -0.0, -0.3]]",0.0,0.007,na,JVASP-60452,2.3,1.866,16.63,GaSe,4,P-6m2,OptB88vdW,187,na,na,na,-0.52313 +274.24333333333334,900,62.25,2.8353,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,42.3,na,-6.45598,0.0,na,0.0,0.049,na,JVASP-60453,2.412,2.226,14.4,HfBrN,6,Pmmn,OptB88vdW,59,na,na,na,-1.77352 +135.79666666666665,750,242.62666666666667,7.036,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,na,na,-2.94604,1.778,na,1.985,na,na,JVASP-60454,na,0.571,na,MoCl3,8,C2/m,OptB88vdW,12,na,na,na,-0.85441 +203.11333333333332,500,3.253333333333334,9.8961,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,80,0.0,na,na,84.9,na,-4.11229,0.0,na,0.001,0.453,na,JVASP-661,na,0.0,na,Te2W,6,P2_1/m,OptB88vdW,11,na,na,na,0.01161 +228.25666666666666,500,297.6166666666667,1.9659,na,"{'p': [2.16, 2.16, 110.22], 'n': [0.95, 0.95, 325.58]}",SingleLayer,na,25,0.0,na,na,75.23,na,0.10888,0.0,na,0.0,0.006,na,JVASP-60456,na,1.961,na,CdBr2,3,P-3m1,OptB88vdW,164,na,na,na,-0.8093 +259.48,500,246.11666666666665,na,na,"{'p': [1.15, 3.2, 302.63], 'n': [0.11, 0.88, 4.8]}",SingleLayer,na,65,0.0,na,na,124.95,na,-1.84479,0.0,na,0.0,0.382,na,JVASP-6736,na,1.228,na,Bi2Se3,10,P2_1/m,OptB88vdW,11,na,na,na,-0.25415 +353.7166666666667,500,296.81333333333333,1.9637,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,75.79,na,0.10891,0.0,na,0.0,0.006,na,JVASP-60457,3.845,3.248,0.17,CdBr2,3,P-3m1,OptB88vdW,164,na,na,na,-0.80927 +727.9833333333332,500,62.93333333333334,37.7739,na,"{'p': [0.0, 0.0, 0.17], 'n': [0.0, 0.0, 0.18]}",SingleLayer,na,65,0.0,na,na,33.7,na,-1.75214,0.0,"[[125.8, 31.9, -1.6, -0.0, 0.3, -0.0], [31.9, 125.8, -1.6, 0.0, -0.3, 0.0], [-6.9, -6.9, -2.8, -0.0, -0.0, -0.0], [-0.0, 0.0, -0.0, 10.5, -0.0, 0.3], [1.3, -1.3, -0.0, -0.0, 0.5, -0.0], [-0.0, 0.0, -0.0, 0.3, -0.0, 0.5]]",0.0,1.427,na,JVASP-13536,na,0.034,na,SbTe,12,P-3m1,OptB88vdW,164,na,na,na,-0.07312 +29.166666666666668,500,-0.4300000000000003,1.9433,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,100,0.0,na,na,571.66,na,-1.26856,0.0,na,0.0,0.402,na,JVASP-13539,na,0.0,na,Sb,1,P6/mmm,OptB88vdW,191,na,na,na,0.87535 +na,600,na,21.4679,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,105,0.0,na,na,75.2,na,-3.37471,3.435,na,3.409,1.707,na,JVASP-60459,na,0.0,na,UTe3,8,P2_1/m,OptB88vdW,11,na,na,na,-0.47696 +599.9733333333334,850,34.28333333333333,16.5896,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,45,0.0,na,na,60.98,na,-1.27713,0.0,na,0.0,1.34,na,JVASP-28136,na,0.031,na,PtCl2,6,P-1,OptB88vdW,2,na,na,na,-0.02464 +78.38333333333334,700,9.716666666666667,19.6968,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,35,0.0,na,na,123.01,na,-0.96096,0.918,na,1.239,na,na,JVASP-28139,0.0,0.0,na,YbBr3,8,P-3,OptB88vdW,147,na,na,na,-1.30646 +176.26,500,304.57,2.9968,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,92.65,na,-0.34456,0.0,na,0.0,0.23,na,JVASP-60460,2.862,2.548,6.32,BiI3,8,P-31m,OptB88vdW,162,na,na,na,-0.36479 +0.15666666666666668,500,3.0199999999999996,12.9999,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,55,0.0,na,na,na,na,-1.92191,0.0,na,0.0,na,na,JVASP-60461,0.0,0.0,na,Bi2Pt,3,P-3m1,OptB88vdW,164,na,na,na,0.04235 +686.33,750,277.98333333333335,5.0528,na,"{'p': [3.37, 3.37, 776.65], 'n': [0.18, 0.18, 2.71]}",SingleLayer,na,40,0.0,na,na,78.66,na,-2.03258,0.0,na,0.0,0.164,na,JVASP-60464,1.244,0.872,33.39,CuBiP2Se6,10,P312,OptB88vdW,149,na,na,na,-0.06583 +14.556666666666667,850,-22.483333333333334,28.5538,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,70,0.0,na,na,369.78,na,-3.89443,0.0,na,0.0,0.488,na,JVASP-28143,na,0.0,na,Tb2C,3,P-3m1,OptB88vdW,164,na,na,na,0.05049 +293.1333333333334,700,345.8666666666666,1.9965,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,77.39,na,-0.50434,0.0,na,0.0,0.023,na,JVASP-60467,3.424,2.883,1.6,InBr3,8,C2/m,OptB88vdW,12,na,na,na,-0.75238 +2085.9666666666667,500,173.69333333333336,1.9574,na,"{'p': [1.04, 1.04, 408.3], 'n': [0.53, 0.53, 47.24]}",SingleLayer,na,25,0.0,na,na,84.17,na,-0.99711,0.0,na,0.0,0.038,na,JVASP-60469,4.81,4.054,0.0,YbI2,3,P-3m1,OptB88vdW,164,na,na,na,-1.62949 +1073.7,650,259.71,9.3363,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,65,0.0,na,na,78.03,na,-2.47803,0.0,na,0.0,0.055,na,JVASP-60470,0.357,0.443,7.93,ZrI2,6,P2_1/m,OptB88vdW,11,na,na,na,-0.84894 +na,650,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,65,0.0,na,na,94.3,na,-3.69561,0.0,na,0.0,1.151,na,JVASP-60375,na,0.0,na,Nb3SiTe6,20,Pmc2_1,OptB88vdW,26,na,na,na,-0.35612 +43.089999999999996,500,-9.28,na,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,50,0.0,na,na,200.25,na,-2.26069,0.0,na,0.0,0.47,na,JVASP-5938,na,0.0,na,Te2Rh,3,P-3m1,OptB88vdW,164,na,na,na,-0.16703 +na,500,na,2.722,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,88.56,na,-0.39688,0.0,"[[15.3, 4.4, -0.1, 0.0, -0.0, 0.0], [4.4, 15.3, -0.1, 0.0, 0.0, 0.0], [-0.2, -0.2, -0.2, 0.0, -0.0, 0.0], [0.0, 0.0, 0.0, 2.3, -0.0, -0.0], [-0.0, 0.0, -0.0, -0.0, -0.1, -0.0], [0.0, 0.0, 0.0, -0.0, -0.0, -0.1]]",0.0,0.065,na,JVASP-60385,3.007,2.098,4.56,PbI2,3,P-3m1,OptB88vdW,164,na,na,na,-0.57103 +150.57,700,290.2966666666667,2.0913,na,"{'p': [2.53, 13.62, 6829.91], 'n': [1.51, 1.17, 19828.37]}",SingleLayer,na,30,0.0,na,na,104.64,na,-3.38008,0.0,na,0.0,0.001,na,JVASP-19513,na,2.101,na,P4S3,14,Pmc2_1,OptB88vdW,26,na,na,na,-0.0438 +1667.72,500,54.24666666666667,5.1099,na,"{'p': [0.2, 0.14, 2.66], 'n': [0.79, 0.7, 30.71]}",SingleLayer,na,35,0.0,na,na,na,na,-1.58616,0.0,"[[46.8, 20.9, -0.1, 0.0, 0.0, -0.0], [20.9, 16.8, 1.2, 0.0, 0.0, 0.0], [-0.2, 2.7, -1.5, 0.0, 0.0, -0.0], [0.0, 0.0, 0.0, 9.7, -0.0, 0.0], [0.0, 0.0, 0.0, -0.0, -0.4, -0.0], [-0.0, 0.0, -0.0, 0.0, -0.0, -0.3]]",0.0,0.01,na,JVASP-28152,na,1.406,na,GeSe,4,Pmn2_1,OptB88vdW,31,na,na,na,-0.12712 +745.5,500,-46.080000000000005,50.1586,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,75,0.0,na,na,60.31,na,-6.96305,0.0,"[[219.3, 92.8, 0.1, 0.0, -0.0, 0.0], [92.8, 219.3, 0.1, 0.0, -0.0, 0.0], [0.2, 0.2, 0.4, 0.0, -0.0, 0.0], [0.0, 0.0, 0.0, 32.7, 0.0, 0.0], [-0.0, -0.0, -0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.0,1.411,na,JVASP-13541,na,0.0,na,Ta2Se,6,P4/nmm,OptB88vdW,129,na,na,na,-0.38516 +394.15333333333336,600,211.64999999999998,20.598,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,50,0.0,na,na,71.99,na,-2.87213,0.0,na,0.0,0.305,na,JVASP-60473,0.218,0.322,5.84,Pr3OsI3,14,P2_1/m,OptB88vdW,11,na,na,na,-0.95449 +na,750,na,2.9288,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,na,na,-1.77587,1.978,"[[-0.0, 0.0, 2.0000000020559128e-06, -0.0, 2.0000000020559128e-06, 0.0], [-0.0, 0.9999979999999979, 0.0, -0.0, 5.551104020895525e-17, 0.9999979999999979], [-0.0, 0.0, 0.0, 0.14791200000000515, 0.14791200000000515, 0.14791200000000515], [0.6666680000000014, 0.6666680000000014, 0.6666659999999993, 0.6666680000000014, 0.6666659999999993, 0.6666680000000014], [0.33333199999999874, 0.3333340000000007, 0.33333199999999863, 0.33333199999999863, 0.33333199999999863, 0.3333340000000008], [0.14791200000000515, 0.14791200000000515, 0.14791200000000515, -0.0, 0.0, 0.0]]",2.0,na,na,JVASP-60474,0.004,0.006,5.84,Li2UI6,9,P-31m,OptB88vdW,162,na,na,na,-0.9718 +na,750,na,4.038,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-2.51914,0.0,na,0.0,0.055,na,JVASP-60475,0.0,0.261,na,BaB2Se6,9,Cm,OptB88vdW,8,na,na,na,0.00332 +526.4066666666666,950,349.42,1.7397,na,"{'p': [14.13, 14.13, 21047.69], 'n': [0.82, 0.82, 216.34]}",SingleLayer,na,25,0.0,na,na,na,na,-6.92705,0.0,na,0.0,0.07,na,JVASP-60537,na,3.514,na,HfMo2O8,33,P-3,OptB88vdW,147,na,na,na,-2.48134 +na,2050,na,2.0997,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,na,na,-3.06164,0.0,na,0.0,0.008,na,JVASP-60542,3.725,4.085,0.48,LaHBr2,4,P-6m2,OptB88vdW,187,na,na,na,-1.63481 +1153.9133333333332,900,418.33666666666664,1.5552,na,"{'p': [10.58, 10.58, 57323.4], 'n': [0.29, 0.29, 306.08]}",SingleLayer,na,30,0.0,na,na,585.96,na,0.69112,0.0,"[[2.6, -0.6, 0.1, 0.0, -0.0, -0.0], [-0.6, 2.6, 0.1, 0.0, -0.0, -0.0], [0.2, 0.2, -3.1, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, -0.1, 0.0, 0.0], [-0.0, -0.0, 0.0, 0.0, -1.4, 0.0], [-0.0, -0.0, 0.0, 0.0, -0.0, -1.4]]",0.0,0.039,na,JVASP-28153,na,2.651,na,HgF,4,P4/mmm,OptB88vdW,123,na,na,na,-0.5304 +1009.4766666666668,850,297.11,2.492,na,"{'p': [0.53, 0.53, 5816.49], 'n': [2.64, 2.64, 11348.2]}",SingleLayer,na,35,0.0,na,na,47.64,na,-4.41002,0.0,"[[123.4, 23.1, -0.0, 0.0, 0.0, 0.0], [23.1, 123.4, -0.0, 0.0, 0.0, 0.0], [-0.1, -0.1, -0.4, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 15.8, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, -0.1, -0.0], [0.0, 0.0, 0.0, 0.0, -0.0, -0.1]]",0.0,0.047,na,JVASP-28173,4.14,3.66,0.0,HoIO,6,P4/nmm,OptB88vdW,129,na,na,na,-2.86147 +90.46999999999998,600,286.65,4.1222,na,"{'p': [10.14, 10.14, 6329.35], 'n': [4.7, 4.7, 3911.11]}",SingleLayer,na,35,0.0,na,na,97.53,na,-2.30035,0.0,na,0.0,0.11,na,JVASP-6379,na,0.606,na,Nb3TeI7,11,P3m1,OptB88vdW,156,na,na,na,-0.46694 +1657.58,2300,-82.26,4.4728,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,45,0.0,na,na,na,na,-4.4593,0.0,na,0.0,na,na,JVASP-28176,na,0.0,na,LaBi2O4,7,P-3m1,OptB88vdW,164,na,na,na,-1.92481 +3173.3333333333335,650,88.68,na,na,"{'p': [0.49, 0.49, 33.41], 'n': [0.27, 0.27, 86.11]}",SingleLayer,na,35,0.0,na,na,46.42,na,-3.70091,0.0,na,0.0,0.0,na,JVASP-6808,na,2.249,na,SiH,4,P-3m1,OptB88vdW,164,na,na,na,0.09435 +5.16,850,-61.22,20.6825,na,"{'p': [0.0, 0.0, 0.07], 'n': [0.0, 0.0, 0.07]}",SingleLayer,na,35,0.0,na,na,423.69,na,-5.06772,0.0,"[[90.0, 13.0, -0.1, 0.0, -0.0, 0.0], [13.0, 90.0, -0.1, 0.0, 0.0, 0.0], [-0.2, -0.2, -0.0, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 13.4, 0.0, -0.0], [-0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, -0.0, 0.0, 0.1]]",0.0,na,na,JVASP-5950,na,0.0,na,Sc2C,3,P-3m1,OptB88vdW,164,na,na,na,-0.08039 +0.016666666666666666,900,-10.706666666666669,na,na,"{'p': [0.0, 0.0, 0.53], 'n': [0.0, 0.0, 0.53]}",SingleLayer,na,30,0.0,na,na,72.97,na,-3.35997,0.251,na,0.303,na,na,JVASP-6373,na,0.0,na,Nb3Cl8,11,P3m1,OptB88vdW,156,na,na,na,-1.26948 +170.40666666666667,500,162.17,1.7848,na,"{'p': [1.08, 1.08, 1250.37], 'n': [0.98, 0.98, 1719.71]}",SingleLayer,na,25,0.0,na,na,82.42,na,-1.15626,0.0,na,0.0,0.017,na,JVASP-6052,na,1.237,na,CaI2,3,P-3m1,OptB88vdW,164,na,5.04,na,-1.63386 +29.883333333333336,500,100.33666666666666,14.1437,na,"{'p': [0.0, 0.0, 0.32], 'n': [0.0, 0.0, 0.32]}",SingleLayer,na,35,0.0,na,na,75.46,na,-1.59182,2.8140000000000005,na,2.976,na,na,JVASP-6034,na,0.0,na,CoBr2,3,P-3m1,OptB88vdW,164,na,na,na,-0.20933 +356.84,600,176.57666666666668,1.6906,na,"{'p': [1.45, 15.2, 6415.82], 'n': [1.5, 0.87, 3996.65]}",SingleLayer,na,25,0.0,na,na,354.17,na,-1.10103,0.0,na,0.0,0.058,na,JVASP-6340,na,1.324,na,RbAuS,6,Pmma,OptB88vdW,51,na,na,na,-0.49143 +239.27666666666667,700,226.5666666666667,1.6219,na,"{'p': [2.36, 2.36, 692.86], 'n': [1.13, 1.13, 5989.22]}",SingleLayer,na,25,0.0,na,na,71.93,na,-1.07079,0.0,na,0.0,0.003,na,JVASP-6040,na,3.164,na,MgBr2,3,P-3m1,OptB88vdW,164,na,6.07,na,-1.52365 +353.11999999999995,1250,201.14000000000001,1.8908,na,"{'p': [1.14, 1.14, 13615.23], 'n': [0.66, 0.66, 1975.62]}",SingleLayer,na,20,0.0,na,na,42.2,na,-3.49539,0.0,"[[93.1, 40.2, 0.2, 0.0, 0.0, -0.0], [40.2, 93.1, 0.2, 0.0, 0.0, 0.0], [0.6, 0.6, 0.7, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 10.1, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [-0.1, 0.1, 0.0, 0.0, 0.0, 0.1]]",0.0,na,na,JVASP-6304,na,2.916,na,TlSbO3,10,P-31m,OptB88vdW,162,na,na,na,-1.31277 +355.3533333333333,850,188.12666666666667,2.078,na,"{'p': [1.03, 1.03, 397.2], 'n': [0.61, 0.61, 816.8]}",SingleLayer,na,30,0.0,na,na,100.08,na,-1.72115,0.0,na,0.0,0.007,na,JVASP-9065,na,1.119,na,RbLiSe,6,P4/nmm,OptB88vdW,129,na,1.98,na,-1.21061 +144.93666666666664,500,293.02666666666664,2.7344,na,"{'p': [3.7, 3.7, 3792.77], 'n': [0.78, 0.78, 192.34]}",SingleLayer,na,25,0.0,na,na,96.21,na,-0.34451,0.0,na,0.0,0.23,na,JVASP-6094,na,2.548,na,BiI3,8,P-31m,OptB88vdW,162,na,na,na,-0.36474 +522.8766666666667,500,32.339999999999996,na,na,"{'p': [0.0, 0.0, 0.02], 'n': [0.0, 0.0, 0.02]}",SingleLayer,na,45,0.0,na,na,211.1,na,-2.89635,0.0,na,0.0,0.722,na,JVASP-5953,na,0.0,na,Te2Ir,3,P-3m1,OptB88vdW,164,na,na,na,-0.03454 +263.4433333333333,500,236.50333333333333,2.8042,na,"{'p': [1.26, 1.97, 422.3], 'n': [1.06, 5.08, 15791.9]}",SingleLayer,na,35,0.0,na,na,132.96,na,-2.31846,0.0,na,0.0,0.027,na,JVASP-13544,na,1.421,na,As2Se3,10,Pmn2_1,OptB88vdW,31,na,na,na,0.0268 +818.6133333333333,900,233.20000000000002,na,na,"{'p': [3.47, 3.47, 42431.19], 'n': [0.69, 0.69, 10555.48]}",SingleLayer,na,20,0.0,na,na,37.03,na,-6.47769,0.0,na,0.0,0.048,na,JVASP-6814,na,2.146,na,HfBrN,6,P-3m1,OptB88vdW,164,na,na,na,-1.79524 +130.70666666666668,700,165.68333333333334,na,na,"{'p': [0.37, 2.8, 397.6], 'n': [1.02, 1.04, 176.63]}",SingleLayer,na,55,0.0,na,na,na,na,-2.77513,0.0,na,0.0,0.02,na,JVASP-9044,na,1.109,na,BaS,4,P-1,OptB88vdW,2,na,na,na,-1.68608 +2698.13,500,43.35666666666666,25.3063,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,100,0.0,na,na,88.25,na,-2.56172,0.0,na,0.0,0.619,na,JVASP-19987,na,0.0,na,HfTe5,12,Pmmn,OptB88vdW,59,na,na,na,-0.33353 +804.9366666666666,500,-564.2933333333333,2.7567,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,na,na,-2.59416,3.653,na,4.0,na,na,JVASP-77586,na,0.401,na,CrBr2,3,C2/m,OptB88vdW,12,na,na,na,-0.54437 +na,800,na,2.763,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,65,0.0,na,na,1131.05,na,-6.93053,0.0,na,0.0,0.219,na,JVASP-13560,na,0.0,na,ZrN,2,P3m1,OptB88vdW,156,na,na,na,-0.62925 +na,500,na,18.208,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,45,0.0,na,na,na,na,-2.29257,0.0,na,0.0,na,na,JVASP-77587,na,0.0,na,CoTe2,3,P-3m1,OptB88vdW,164,na,na,na,-0.02546 +na,500,na,26.2078,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,na,na,-3.46336,9.274,na,9.936,na,na,JVASP-77592,na,0.0,na,Cr3Te4,7,P-3m1,OptB88vdW,164,na,na,na,-0.03742 +na,650,na,2.1266,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,na,na,-0.5758,0.0,na,0.0,na,na,JVASP-77594,na,3.507,na,TlCl,4,P4/nmm,OptB88vdW,129,na,na,na,-0.93694 +na,500,na,54.1292,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,90,0.0,na,na,na,na,-1.51216,0.0,na,0.0,na,na,JVASP-78001,na,0.0,na,BiSe,4,C2/m,OptB88vdW,12,na,na,na,0.01329 +na,650,na,9.937,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,85,0.0,na,na,na,na,-1.29564,0.0,na,0.0,na,na,JVASP-77596,na,0.0,na,NdGe2,3,P4/mmm,OptB88vdW,123,na,na,na,0.14245 +na,500,na,4.5556,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,na,na,-0.8193,0.0,na,0.0,na,na,JVASP-77598,na,1.586,na,TePb,2,P3m1,OptB88vdW,156,na,na,na,-0.04667 +488.38000000000005,850,232.62666666666667,1.5034,na,"{'p': [1.45, 1.45, 2016.09], 'n': [0.59, 0.59, 18613.16]}",SingleLayer,na,25,0.0,na,na,499.21,na,-5.5781,0.0,na,0.0,0.0,na,JVASP-19988,na,2.88,na,AlN,2,P-6m2,OptB88vdW,187,na,na,na,-1.02341 +na,500,na,5.9501,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,50,0.0,na,na,na,na,-3.98795,-0.0839999999999999,na,0.202,na,na,JVASP-77602,na,0.0,na,Al2Os,3,P4/mmm,OptB88vdW,123,na,na,na,0.15935 +207.72333333333333,1000,-147.31,35.0397,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-6.36396,1.9400000000000004,na,2.0,na,na,JVASP-78002,na,0.081,na,UBrO2,8,Pmma,OptB88vdW,51,na,na,na,-2.80113 +na,700,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,55,0.0,na,na,na,na,-2.24964,0.0,na,0.0,na,na,JVASP-77603,na,0.0,na,NiS,4,P-3m1,OptB88vdW,164,na,na,na,-0.30802 +552.1633333333333,1000,133.98,1.6541,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,na,na,-3.89179,0.0,na,0.0,na,na,JVASP-78008,na,1.333,na,AgCNO,4,Pmm2,OptB88vdW,25,na,na,na,0.54256 +1845.7766666666666,600,84.16,na,na,"{'p': [0.24, 0.16, 6.62], 'n': [0.24, 0.26, 12.32]}",SingleLayer,na,35,0.0,na,na,152.65,na,-1.533,0.0,na,0.0,0.026,na,JVASP-5929,na,1.289,na,SnSe,4,Pmn2_1,OptB88vdW,31,na,na,na,-0.3297 +955.4166666666666,750,139.4466666666667,3.0566,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,na,na,-0.2257,0.0,na,0.0,na,na,JVASP-77606,na,0.934,na,Ag2Se,6,Pmma,OptB88vdW,51,na,na,na,0.15121 +na,500,na,30.3219,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,75,0.0,na,na,na,na,-2.12832,0.0,na,0.0,na,na,JVASP-78009,na,0.0,na,LuSb2,3,C222,OptB88vdW,21,na,na,na,-0.10511 +na,600,na,26.6745,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,50,0.0,na,na,na,na,-4.29908,0.0,na,0.0,na,na,JVASP-77610,na,0.0,na,VSe,4,P4/nmm,OptB88vdW,129,na,na,na,-0.47283 +1391.7733333333333,900,330.96000000000004,5.2278,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,na,na,-2.25899,0.0,na,0.0,na,na,JVASP-78010,na,1.468,na,TlPt2Se3,12,P-3m1,OptB88vdW,164,na,na,na,-0.311 +1621.9333333333332,850,273.40000000000003,3.0439,na,"{'p': [1.22, 3.11, 858.64], 'n': [0.84, 0.67, 1028.49]}",SingleLayer,na,30,0.0,na,na,na,na,-2.92732,0.0,na,0.001,na,na,JVASP-77611,na,2.729,na,PbO,8,Pbcm,OptB88vdW,57,na,na,na,-1.15787 +na,650,na,12.0401,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,85,0.0,na,na,na,na,-4.92728,0.0,na,0.0,na,na,JVASP-78011,na,0.0,na,ZrSiSe,6,P4/nmm,OptB88vdW,129,na,na,na,-1.00683 +na,500,na,125.2324,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,75,0.0,na,na,na,na,-1.47032,0.0,na,0.0,na,na,JVASP-77612,na,0.0,na,BaSi2,3,P-3m1,OptB88vdW,164,na,na,na,1.20074 +na,800,na,24.3273,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,60,0.0,na,na,na,na,0.47554,0.0,na,0.0,na,na,JVASP-77613,na,0.0,na,BaCu,4,P6/mmm,OptB88vdW,191,na,na,na,0.03162 +328.2133333333333,750,249.6,na,na,"{'p': [1.02, 1.02, 187.55], 'n': [0.37, 0.37, 288.35]}",SingleLayer,na,40,0.0,na,na,na,na,0.4427,0.0,na,0.001,na,na,JVASP-78013,na,2.114,na,CuI,4,P4/nmm,OptB88vdW,129,na,na,na,-0.05215 +na,600,na,2.3158,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,na,na,-0.4971,0.0,na,0.0,na,na,JVASP-77643,na,1.762,na,Ag2S,6,P4/nmm,OptB88vdW,129,na,na,na,0.09703 +na,1250,na,22.9786,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,na,na,-4.62229,4.694000000000001,na,4.825,na,na,JVASP-78014,na,0.0,na,FeCo3O8,12,P-3m1,OptB88vdW,164,na,na,na,-1.00965 +138.0233333333333,900,-47.343333333333334,1.7182,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,na,na,-0.82161,0.0,na,0.0,na,na,JVASP-77650,na,0.173,na,AgF2,6,P2_1/c,OptB88vdW,14,na,na,na,-1.07326 +na,1550,na,3.5503,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,na,na,-2.59208,0.0,na,0.0,na,na,JVASP-77653,na,0.407,na,ZrBr3,8,Cm,OptB88vdW,8,na,na,na,-1.24148 +na,500,na,30.3213,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,100,0.0,na,na,na,na,-2.93079,0.0,na,0.0,na,na,JVASP-78015,na,0.0,na,TiAu,4,P4/nmm,OptB88vdW,129,na,na,na,-0.09766 +323.35999999999996,650,222.34333333333333,2.2511,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-0.20607,0.0,na,0.0,na,na,JVASP-77658,na,0.922,na,AgCl,4,Pmma,OptB88vdW,51,na,na,na,-0.32034 +0.8666666666666667,500,14.35,14.9342,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,85,0.0,na,na,na,na,0.71044,0.0,na,0.0,na,na,JVASP-78019,na,0.0,na,I,1,P4/mmm,OptB88vdW,123,na,na,na,0.28365 +na,500,na,8.3554,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,70,0.0,na,na,na,na,-1.25353,0.0,na,0.0,na,na,JVASP-77660,na,0.0,na,SmGe2,3,P4/mmm,OptB88vdW,123,na,na,na,0.13579 +na,700,na,8.4256,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,60,0.0,na,na,na,na,-3.77339,3.994,na,4.439,na,na,JVASP-78021,na,0.0,na,MnAl2S4,7,P3m1,OptB88vdW,156,na,na,na,-0.89513 +433.4166666666667,850,294.50333333333333,na,na,"{'p': [2.62, 2.62, 16551.9], 'n': [0.97, 0.97, 54580.37]}",SingleLayer,na,25,0.0,na,na,1027.61,na,-6.1859,0.0,na,0.0,0.002,na,JVASP-5871,na,0.775,na,YN,2,P-6m2,OptB88vdW,187,na,na,na,-0.81808 +471.27333333333337,900,360.8166666666666,1.3867,na,"{'p': [2.72, 2.78, 10364.11], 'n': [0.78, 0.78, 5030.61]}",SingleLayer,na,25,0.0,na,na,na,na,-3.27452,0.0,na,0.0,na,na,JVASP-77663,na,2.569,na,NaHO,6,P4/nmm,OptB88vdW,129,na,na,na,-1.37834 +574.0766666666667,850,252.6833333333333,1.6616,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,na,na,-2.27959,0.0,na,0.0,na,na,JVASP-78024,na,1.585,na,Ag2SeO4,7,C222,OptB88vdW,21,na,na,na,-0.28506 +na,500,na,23.5985,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,60,0.0,na,na,na,na,-3.48398,0.0,na,0.0,na,na,JVASP-77665,na,0.0,na,Nb2SiTe4,7,Pm,OptB88vdW,6,na,na,na,-0.105 +36.376666666666665,500,38.36,10.019,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,100,0.0,na,na,83.78,na,-3.79445,0.5349999999999999,na,0.585,na,na,JVASP-680,na,0.0,na,VSe2,3,P-3m1,OptB88vdW,164,na,na,na,-0.62648 +904.5566666666668,850,330.16333333333336,2.618,na,"{'p': [1.45, 1.45, 1499.77], 'n': [1.34, 1.34, 264.96]}",SingleLayer,na,20,0.0,na,na,na,na,-6.8577,0.0,na,0.0,na,na,JVASP-77671,na,2.646,na,TiO2,3,P-3m1,OptB88vdW,164,na,na,na,-3.02042 +496.68666666666667,1250,136.42666666666668,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,na,na,-3.53185,0.0,na,0.0,na,na,JVASP-78027,na,2.047,na,Ba2InBrO3,14,P4/nmm,OptB88vdW,129,na,na,na,-2.35944 +934.7966666666666,900,254.96,2.0522,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,na,na,-1.22237,0.0,na,0.0,na,na,JVASP-77673,na,0.955,na,PdCl2,6,P2_1/c,OptB88vdW,14,na,na,na,-0.39586 +na,500,na,14.9753,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,50,0.0,na,na,na,na,-2.00484,0.0,na,0.0,na,na,JVASP-78030,na,0.771,na,Sb2TeSe2,5,P3m1,OptB88vdW,156,na,na,na,-0.16388 +na,800,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,na,na,-2.29106,0.0,na,0.0,na,na,JVASP-78033,na,3.961,na,SnF4,5,P4/mmm,OptB88vdW,123,na,na,na,-2.33787 +602.2099999999999,750,203.25333333333333,3.6876,na,"{'p': [0.82, 0.82, 6832.79], 'n': [0.35, 0.35, 558.84]}",SingleLayer,na,25,0.0,na,na,na,na,-3.02726,0.0,na,0.001,na,na,JVASP-77675,na,2.189,na,SbClO,6,P4/nmm,OptB88vdW,129,na,na,na,-1.19944 +380.1433333333334,850,350.74666666666667,1.5661,na,"{'p': [2.19, 2.19, 599.04], 'n': [0.48, 0.48, 289.72]}",SingleLayer,na,25,0.0,na,na,na,na,-3.14814,0.0,na,0.0,na,na,JVASP-78034,na,2.262,na,CdH2O2,5,P-3m1,OptB88vdW,164,na,na,na,-1.00223 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,125,0.0,na,na,na,na,-3.19697,0.0,na,0.0,na,na,JVASP-77684,na,0.0,na,Si,8,Cmmm,OptB88vdW,65,na,na,na,0.97209 +91.23333333333333,950,311.38666666666666,100.0039,na,"{'p': [0.31, 4.21, 128.93], 'n': [0.37, 5.06, 155.45]}",SingleLayer,na,30,0.0,na,na,na,na,-2.64546,0.0,na,0.0,na,na,JVASP-78035,na,0.476,na,CeTe2,3,Cm,OptB88vdW,8,na,na,na,-0.86863 +307.40333333333336,800,322.59999999999997,4.2554,na,"{'p': [1.01, 1.01, 1578.49], 'n': [0.26, 0.26, 1550.37]}",SingleLayer,na,60,0.0,na,na,na,na,-2.81801,0.0,na,0.0,na,na,JVASP-77690,na,1.918,na,SbBrO,6,P4/nmm,OptB88vdW,129,na,na,na,-1.07173 +na,800,na,25.8632,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,60,0.0,na,na,na,na,-5.03195,0.59,na,0.629,na,na,JVASP-78036,na,0.0,na,MoO2,3,P6/mmm,OptB88vdW,191,na,na,na,-0.23639 +na,650,na,6.5805,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,70,0.0,na,na,na,na,-4.85485,0.0,na,0.0,na,na,JVASP-77693,na,0.0,na,NbS2,3,P4/mmm,OptB88vdW,123,na,na,na,-0.74826 +127.41000000000001,500,266.82,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-1.90736,0.0,na,0.0,na,na,JVASP-78037,na,1.232,na,RbSb2Se4,14,P-1,OptB88vdW,2,na,na,na,-0.4146 +487.03999999999996,1250,436.0733333333333,1.6736,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,na,na,-4.43858,0.0,na,0.001,na,na,JVASP-77694,na,3.395,na,ZnSiO3,10,P-31m,OptB88vdW,162,na,na,na,-2.10028 +145.75333333333333,1200,129.39333333333335,1.6059,na,"{'p': [1.77, 0.84, 2066.95], 'n': [0.91, 0.78, 1428.42]}",SingleLayer,na,25,0.0,na,na,na,na,-5.61187,0.0,na,0.0,na,na,JVASP-78041,na,2.758,na,TbHO2,8,Pmmn,OptB88vdW,59,na,na,na,-2.67682 +7.96,1250,-32.50666666666667,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,45,0.0,na,na,na,na,-3.63315,0.0,na,0.0,na,na,JVASP-77697,na,0.0,na,BaSn4O8,13,P-31m,OptB88vdW,162,na,na,na,-1.51332 +na,800,na,11.5899,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,100,0.0,na,na,na,na,-0.99582,0.0,na,0.0,na,na,JVASP-77698,na,0.0,na,NaLi2As,4,Pmmm,OptB88vdW,47,na,na,na,0.00272 +na,750,na,61.1237,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,na,na,-3.12369,5.317,na,5.418,na,na,JVASP-78042,na,0.0,na,Fe3Se4,7,C2/m,OptB88vdW,12,na,na,na,-0.10699 +27.74,600,-0.4166666666666668,22.4861,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,95,0.0,na,na,250.49,na,0.86063,0.0,"[[5e-324, nan, 0.0, 2.1219957905e-314, nan, 0.0], [0.0, 0.0, 2.1219957915e-314, 0.0, 0.0, nan], [5e-324, nan, 0.0, 5e-324, 2.121995791e-314, 0.0], [0.0, 2.1219957905e-314, 2.121995791e-314, 0.0, 5e-324, 2.121995791e-314], [nan, 0.0, 0.0, 4.2439915814e-314, 0.0, 0.0], [0.0, 2.1219957905e-314, nan, 0.0, 2.1219957905e-314, 2.121995791e-314]]",0.0,0.035,na,JVASP-27834,na,0.0,na,Ga,2,Pmma,OptB88vdW,51,na,na,na,0.27517 +na,1200,na,1.6753,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,na,na,-7.38273,0.0,na,0.0,na,na,JVASP-77700,na,2.753,na,BN,8,P4/mbm,OptB88vdW,127,na,na,na,-0.97224 +955.6466666666666,500,108.3,5.3089,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,50,0.0,na,na,na,na,-1.58241,0.0,na,0.0,na,na,JVASP-77701,na,0.296,na,K2As2Pd,10,Pmma,OptB88vdW,51,na,na,na,-0.39775 +4558.056666666666,500,369.25,3.5696,na,"{'p': [1.46, 1.46, 1271.86], 'n': [0.37, 0.37, 131.81]}",SingleLayer,na,35,0.0,na,na,na,na,-3.83121,0.0,na,0.0,na,na,JVASP-77702,na,2.02,na,P,2,P-3m1,OptB88vdW,164,na,na,na,0.12999 +543.0633333333334,1250,244.60333333333332,1.4619,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,na,na,-2.80885,0.0,na,0.0,na,na,JVASP-77706,na,2.329,na,Ag2SO4,7,C222,OptB88vdW,21,na,na,na,-0.72122 +17.433333333333334,500,9.783333333333333,10.7261,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,155,0.0,na,na,147.17,na,-1.53843,0.0,na,0.0,0.14,na,JVASP-27836,na,0.0,na,Se,2,Pmmm,OptB88vdW,47,na,na,na,0.31299 +1098.1033333333332,1250,292.0833333333333,1.7443,na,"{'p': [1.27, 1.27, 5698.74], 'n': [1.42, 1.42, 2806.0]}",SingleLayer,na,20,0.0,na,na,na,na,-6.58534,0.0,na,0.0,na,na,JVASP-77713,na,4.996,na,CN2,6,P-42_1m,OptB88vdW,113,na,na,na,0.66522 +na,1300,na,14.0701,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-4.45229,1.921,na,1.984,na,na,JVASP-77991,na,0.0,na,Co3SbO8,12,P-3m1,OptB88vdW,164,na,na,na,-1.04185 +370.48,750,206.37333333333333,2.4919,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,55,0.0,na,na,na,na,-2.52223,0.0,na,0.0,na,na,JVASP-77993,na,1.29,na,NbTlBr4O,7,P2,OptB88vdW,3,na,na,na,-1.20565 +na,500,na,21.4301,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,130,0.0,na,na,57.52,na,-2.78441,0.0,na,0.0,0.339,na,JVASP-13545,na,0.0,na,YTe3,8,P4/nmm,OptB88vdW,129,na,na,na,-0.90533 +365.6066666666666,1250,286.6133333333333,2.0279,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,na,na,-5.22077,0.0,na,0.0,na,na,JVASP-77994,na,2.715,na,YBiO3,10,P-3,OptB88vdW,147,na,na,na,-2.28144 +487.7,800,411.57,2.5493,na,"{'p': [14.84, 14.84, 28493.82], 'n': [0.68, 0.68, 53.28]}",SingleLayer,na,25,0.0,na,na,na,na,-3.32767,1.924,na,2.001,na,na,JVASP-77996,na,0.961,na,Li2NiO2,5,P-3m1,OptB88vdW,164,na,na,na,-1.39879 +na,500,na,2.4578,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,0.78248,0.0,na,0.0,na,na,JVASP-77997,na,1.548,na,HgIBr,3,Cm,OptB88vdW,8,na,na,na,-0.14597 +288.58666666666664,1400,273.52666666666664,1.9398,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-6.98265,0.0,na,0.0,na,na,JVASP-77998,na,1.223,na,C3N4,14,P-6m2,OptB88vdW,187,na,na,na,0.37901 +658.3933333333333,500,379.63000000000005,20.7942,na,"{'p': [10.18, 10.18, 64457.95], 'n': [1.35, 1.35, 677.58]}",SingleLayer,na,30,0.0,na,na,76.94,na,-2.64675,2.609,"[[23.1, 6.4, -0.1, -0.0, -0.0, -0.0], [6.4, 23.1, -0.1, 0.0, 0.0, 0.0], [-0.4, -0.4, -0.8, 0.0, -0.0, 0.0], [-0.0, 0.0, 0.0, 3.1, -0.0, -0.0], [-0.0, 0.0, -0.0, -0.0, 0.6, -0.0], [-0.0, 0.0, 0.0, -0.0, -0.0, 0.6]]",3.0,na,na,JVASP-13546,na,1.245,na,VBr2,3,P-3m1,OptB88vdW,164,na,na,na,-0.78827 +2272.623333333333,650,235.3466666666667,2.6076,na,"{'p': [2.27, 0.95, 5201.17], 'n': [0.31, 0.49, 94.28]}",SingleLayer,na,35,0.0,na,na,87.6,na,-1.89119,0.0,na,0.0,0.01,na,JVASP-19989,na,1.895,na,SnS,4,Pmmn,OptB88vdW,59,na,na,na,-0.36209 +0.8966666666666668,500,-1.0366666666666666,41.8338,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,145,0.0,na,na,582.88,na,-1.58181,0.0,na,0.0,0.528,na,JVASP-13547,na,0.0,na,SiSb3,4,P6/mmm,OptB88vdW,191,na,na,na,1.06839 +na,500,na,20.3729,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,120,0.0,na,na,595.95,na,-0.89678,0.0,na,0.0,na,na,JVASP-13548,na,0.0,na,Sb3Pb,4,P-6m2,OptB88vdW,187,na,na,na,0.79394 +1527.71,500,213.51333333333332,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,45,0.0,na,na,78.56,na,-3.42068,0.0,na,0.0,na,na,JVASP-13549,na,1.402,na,SiAs2,12,Pmc2_1,OptB88vdW,26,na,na,na,0.02636 +309.19666666666666,650,234.4366666666667,1.8176,na,"{'p': [2.83, 4.52, 18612.72], 'n': [6.49, 4.37, 3543.87]}",SingleLayer,na,20,0.0,na,na,na,na,-4.18259,7.401000000000002,na,7.999,na,na,JVASP-77580,na,1.295,na,CrF2,6,P2_1/c,OptB88vdW,14,na,na,na,-2.18913 +na,850,na,16.8929,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,na,na,-4.12609,0.0,na,0.0,na,na,JVASP-77581,na,0.0,na,RhO2,3,P-3m1,OptB88vdW,164,na,na,na,-0.70335 +55.86333333333334,650,12.33,24.5188,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,30,0.0,na,na,na,na,-4.08453,2.768,na,2.87,na,na,JVASP-77582,na,0.0,na,MnS2,3,P-3m1,OptB88vdW,164,na,na,na,-0.53573 +na,500,na,2.2765,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,0.44134,0.0,na,0.0,na,na,JVASP-77583,na,1.638,na,AgI,2,P-6m2,OptB88vdW,187,na,na,na,0.04777 +15.310000000000002,500,-2.883333333333333,10.3295,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,75,0.0,na,na,na,na,-4.85131,0.0,"[[173.6, 30.4, -0.0, 0.0, 0.0, -0.0], [30.4, 173.6, -0.0, 0.0, 0.0, 0.0], [-0.0, -0.0, -0.1, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 24.7, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, -0.2, -0.0], [-0.0, 0.0, 0.0, 0.0, -0.0, -0.2]]",0.0,na,na,JVASP-19990,na,0.0,na,HfSiTe,6,P4/nmm,OptB88vdW,129,na,na,na,-0.62408 +493.76,750,226.38666666666666,1.6334,na,"{'p': [1.22, 1.22, 28296.93], 'n': [1.66, 1.66, 9649081.77]}",SingleLayer,na,20,0.0,na,na,na,na,-3.94548,0.0,na,0.001,na,na,JVASP-77584,na,2.965,na,CaO2,3,P4/mmm,OptB88vdW,123,na,na,na,-2.00005 +0.3066666666666667,650,-42.526666666666664,1.44,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,45,0.0,na,na,na,na,-4.17204,0.56,na,0.595,na,na,JVASP-77585,na,0.0,na,NbF4,5,P4/mmm,OptB88vdW,123,na,na,na,-2.86715 +111.77999999999999,500,6.8,18.2885,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,100,0.0,na,na,493.94,na,-2.30321,0.0,"[[6e-323, 6e-323, 6e-323, 6e-323, 6e-323, 6e-323], [6e-323, 6e-323, 6e-323, 6e-323, 6e-323, 6e-323], [6e-323, 6e-323, 6e-323, 6e-323, 6e-323, 6e-323], [6e-323, 6e-323, 6e-323, 6e-323, 6e-323, 6e-323], [6e-323, 6e-323, 6e-323, 6e-323, 6e-323, 6e-323], [6e-323, 6e-323, 6e-323, 6e-323, 6e-323, 6e-323]]",0.0,0.555,na,JVASP-13550,na,0.0,na,SiAs3,4,P6/mmm,OptB88vdW,191,na,na,na,1.05357 +253.13333333333333,500,227.4433333333333,1.7056,na,"{'p': [278.2, 6.87, 2177.81], 'n': [34.35, 0.7, 266.49]}",SingleLayer,na,25,0.0,na,na,120.51,na,-0.79982,0.0,na,0.0,0.069,na,JVASP-6115,na,2.945,na,AlI3,8,P-1,OptB88vdW,2,na,na,na,-0.55799 +466.32,1250,159.95000000000002,2.4541,na,"{'p': [1.72, 1.72, 284.31], 'n': [5.36, 5.36, 791.64]}",SingleLayer,na,25,0.0,na,na,35.87,na,-5.5424,0.0,"[[111.9, 32.4, -0.8, 0.0, 0.0, -0.0], [32.4, 111.9, -0.8, 0.0, -0.0, 0.0], [-1.9, -1.9, -0.6, -0.0, 0.0, -0.0], [0.0, 0.0, -0.0, 16.3, 0.0, 0.0], [0.0, -0.0, 0.0, 0.0, 0.3, -0.0], [-0.1, 0.1, -0.0, 0.0, -0.0, 0.3]]",0.0,0.006,na,JVASP-28183,2.263,2.267,17.32,TiSnO3,10,P-3,OptB88vdW,147,na,na,na,-2.48745 +1.9000000000000001,850,29.319999999999997,27.7042,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,70,0.0,na,na,na,na,-5.33334,0.0,na,0.0,na,na,JVASP-28185,0.0,0.0,na,ZrBrO,6,P-3m1,OptB88vdW,164,na,na,na,-2.38808 +7.56,1300,10.59,7.7423,na,"{'p': [0.0, 0.0, 0.1], 'n': [0.0, 0.0, 0.1]}",SingleLayer,na,30,0.0,na,na,39.91,na,-6.14624,0.934,na,1.0,na,na,JVASP-28199,na,0.0,na,VC2O6,9,P-3,OptB88vdW,147,na,na,na,-1.57911 +38.07333333333333,1250,15.770000000000001,16.6265,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,50,0.0,na,na,52.4,na,-5.05231,2.8550000000000004,na,2.966,na,na,JVASP-28212,na,0.0,na,TiCo3O8,12,P-3m1,OptB88vdW,164,na,na,na,-1.39584 +244.99333333333334,650,133.79666666666665,2.648,na,"{'p': [0.33, 1.47, 288.84], 'n': [0.92, 0.85, 1381.34]}",SingleLayer,na,30,0.0,na,na,55.48,na,-3.15304,0.0,na,0.0,0.051,na,JVASP-27841,3.141,1.197,3.18,HoSI,6,Pmmn,OptB88vdW,59,na,3.68,na,-1.8394 +91.77333333333333,950,304.32666666666665,3.7771,na,"{'p': [1.35, 1.35, 935.01], 'n': [28.04, 28.04, 574425.93]}",SingleLayer,na,25,0.0,na,na,na,na,-3.66818,0.0,"[[42.7, 10.5, -0.1, 0.0, -0.0, -0.0], [10.5, 42.7, -0.1, -0.0, 0.0, 0.0], [-0.2, -0.2, -0.7, -0.0, 0.0, 0.0], [0.0, -0.0, -0.0, 7.0, -0.0, -0.0], [-0.0, 0.0, 0.0, -0.0, -0.1, 0.0], [-0.0, 0.0, 0.0, -0.0, 0.0, -0.1]]",0.0,0.017,na,JVASP-27846,0.549,1.116,17.48,CeSe2,3,P-3m1,OptB88vdW,164,na,na,na,-1.4665 +769.7966666666667,700,197.66,3.5037,na,"{'p': [29.63, 0.56, 1726.13], 'n': [37.7, 0.31, 2408.68]}",SingleLayer,na,30,0.0,na,na,55.69,na,-4.97066,0.0,na,0.0,0.051,na,JVASP-13551,na,1.209,na,HfS3,8,P2_1/m,OptB88vdW,11,na,na,na,-1.26875 +235.92,900,227.54999999999998,na,na,"{'p': [0.81, 1.58, 982.61], 'n': [0.65, 0.29, 133.27]}",SingleLayer,na,30,0.0,na,na,196.31,na,0.36757,0.0,na,0.0,0.03,na,JVASP-6430,na,3.29,na,HgCl2,6,Pbam,OptB88vdW,55,na,na,na,-0.29314 +755.1700000000001,650,-14.966666666666667,14.2644,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,80,0.0,na,na,na,na,-1.04724,0.0,na,0.0,na,na,JVASP-6694,na,0.0,na,NiBi2,3,P-6m2,OptB88vdW,187,na,na,na,0.21247 +34.63333333333333,650,7.52,na,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,60,0.0,na,na,na,na,-1.92368,0.0,na,0.001,na,na,JVASP-6700,na,0.0,na,BiRh2,3,P-3m1,OptB88vdW,164,na,na,na,1.04462 +843.6566666666666,650,387.6333333333334,18.0675,na,"{'p': [11.71, 11.71, 15402.61], 'n': [1.53, 1.53, 450.62]}",SingleLayer,na,60,0.0,na,na,71.73,na,-3.15397,2.605,"[[25.8, 8.4, 1.8, 0.0, -0.0, 0.0], [8.4, 25.8, 1.8, 0.0, 0.0, 0.0], [4.7, 4.7, 3.6, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 3.3, 0.0, -0.0], [-0.0, 0.0, 0.0, 0.0, 1.0, 0.0], [0.0, 0.0, 0.0, -0.0, 0.0, 1.0]]",3.001,na,na,JVASP-8879,na,1.336,na,VCl2,3,P-3m1,OptB88vdW,164,na,na,na,-1.13242 +13.280000000000001,500,5.866666666666667,na,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,45,0.0,na,na,na,na,-2.78071,7.909,na,8.541,na,na,JVASP-6703,na,0.0,na,Mn2Bi,3,P-3m1,OptB88vdW,164,na,na,na,1.37933 +398.57666666666665,650,144.03,3.6804,na,"{'p': [0.28, 3.7, 544.78], 'n': [0.18, 0.5, 196.19]}",SingleLayer,na,40,0.0,na,na,0.03,na,-3.72527,0.0,na,0.0,0.001,na,JVASP-27847,0.95,0.641,31.48,SiS,8,Pmna,OptB88vdW,53,na,na,na,-0.38921 +403.98,1300,275.73,14.8098,na,"{'p': [2.04, 2.04, 225.91], 'n': [1.41, 1.41, 1734.66]}",SingleLayer,na,25,0.0,na,na,na,na,-5.91359,2.892,"[[0.0, 0.0, 5e-324, 5e-324, 1e-323, 1e-323], [0.0, 1e-323, 0.0, 1e-323, 0.0, 1e-323], [0.0, 0.0, 0.0, 0.0, 0.0, 0.0], [0.0, 0.0, 5e-324, 5e-324, 1e-323, 1e-323], [5e-324, 1.5e-323, 5e-324, 1.5e-323, 5e-324, 1.5e-323], [0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]",3.0,0.001,na,JVASP-28218,na,1.517,na,MnC2O6,9,P-3,OptB88vdW,147,na,na,na,-1.36433 +270.3433333333333,500,67.46666666666665,17.3175,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,70,0.0,na,na,100.42,na,-3.56737,0.0,na,0.0,1.025,na,JVASP-6238,na,0.01,na,TaTe4Ir,12,P2_1/m,OptB88vdW,11,na,na,na,-0.24157 +322.27333333333337,650,316.40000000000003,1.6136,na,"{'p': [2.44, 2.44, 601.89], 'n': [0.51, 0.51, 22844.28]}",SingleLayer,na,25,0.0,na,na,70.63,na,-0.28952,0.0,"[[30.5, 10.7, 0.2, 0.0, -0.0, 0.0], [10.7, 30.5, 0.2, 0.0, 0.0, 0.0], [0.5, 0.5, 0.3, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 3.7, 0.0, -0.0], [-0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, -0.0, 0.0, 0.1]]",0.0,0.001,na,JVASP-6232,na,3.894,na,CdCl2,3,P-3m1,OptB88vdW,164,na,na,na,-1.04463 +13.376666666666667,500,-3.8966666666666665,9.4067,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,75,0.0,na,na,63.66,na,-4.85124,0.0,"[[173.8, 30.5, 0.1, 0.0, 0.0, 0.0], [30.5, 173.8, 0.1, 0.0, 0.0, 0.0], [0.3, 0.3, 0.7, 0.0, 0.0, -0.0], [0.0, 0.0, 0.0, 22.3, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, -0.0, 0.0, 0.0, 0.1]]",0.0,0.504,na,JVASP-31348,na,0.0,na,HfSiTe,6,P4/nmm,OptB88vdW,129,na,na,na,-0.62402 +11.406666666666666,500,72.94666666666667,3.7758,na,"{'p': [0.43, 0.43, 675.93], 'n': [105.23, 105.23, 2168020.47]}",SingleLayer,na,25,0.0,na,na,79.63,na,-5.01376,0.0,"[[121.5, 24.8, 0.1, 0.0, 0.0, 0.0], [24.8, 121.5, 0.1, 0.0, 0.0, 0.0], [0.5, 0.5, 0.4, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 13.8, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.0,0.027,na,JVASP-652,na,1.334,na,WSe2,3,P-6m2,OptB88vdW,187,na,2.29,na,-0.46499 +561.3266666666666,500,112.29333333333334,4.7325,na,"{'p': [0.47, 0.15, 15.66], 'n': [1.2, 0.31, 2426.79]}",SingleLayer,na,40,0.0,na,na,134.86,na,-2.92568,0.0,na,0.0,0.012,na,JVASP-31349,na,0.747,na,As,4,Pmna,OptB88vdW,53,na,na,na,0.16035 +365.80333333333334,500,232.46333333333334,2.3807,na,"{'p': [0.18, 0.14, 253.52], 'n': [0.14, 0.14, 281.26]}",SingleLayer,na,40,0.0,na,na,388.51,na,-0.28153,0.0,na,0.0,0.056,na,JVASP-19991,na,0.377,na,Rb2Te,6,Pmc2_1,OptB88vdW,26,na,na,na,-0.70628 +180.17999999999998,500,255.14666666666668,2.4201,na,"{'p': [1.07, 1.07, 2485.47], 'n': [0.35, 0.35, 517881.6]}",SingleLayer,na,30,0.0,na,na,87.36,na,-0.39701,0.0,"[[15.6, 4.7, 0.1, 0.0, 0.0, 0.0], [4.7, 15.6, 0.1, 0.0, -0.0, 0.0], [0.3, 0.3, 0.3, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 1.9, 0.0, 0.0], [0.0, -0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.0,0.065,na,JVASP-5995,na,2.653,na,PbI2,3,P-3m1,OptB88vdW,164,na,3.32,na,-0.57116 +1506.5766666666666,700,166.11666666666667,2.9594,na,"{'p': [0.65, 0.65, 210.67], 'n': [0.54, 0.54, 678.88]}",SingleLayer,na,35,0.0,na,na,71.9,na,-2.22991,0.0,na,0.001,0.017,na,JVASP-6307,na,2.09,na,MgPSe3,10,P-3,OptB88vdW,147,na,na,na,-0.5534 +197.20666666666668,500,258.71999999999997,2.4801,na,"{'p': [1.08, 1.08, 1882.54], 'n': [0.35, 0.35, 184067.65]}",SingleLayer,na,30,0.0,na,na,88.93,na,-0.39715,0.0,na,0.0,0.065,na,JVASP-6706,na,2.652,na,PbI2,3,P-3m1,OptB88vdW,164,na,na,na,-0.5713 +53.02333333333334,650,2.4766666666666666,na,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,85,0.0,na,na,na,na,-1.82082,0.0,na,0.0,na,na,JVASP-6712,na,0.0,na,BiPt2,3,P-3m1,OptB88vdW,164,na,na,na,0.90825 +33.403333333333336,500,22.463333333333335,9.3915,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,100,0.0,na,na,240.72,na,-0.03242,0.0,"[[19.5, 19.9, 0.0, 0.0, 0.0, 0.0], [19.9, 19.5, 0.0, 0.0, -0.0, -0.0], [0.1, 0.1, 0.2, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 2.3, 0.0, 0.0], [0.0, -0.0, 0.0, 0.0, 0.1, -0.0], [0.0, -0.0, 0.0, 0.0, -0.0, 0.1]]",0.001,1.053,na,JVASP-31353,na,0.0,na,InBi,4,P4/nmm,OptB88vdW,129,na,na,na,0.24045 +47.81,1300,19.69333333333333,14.076,na,"{'p': [0.0, 0.0, 0.06], 'n': [0.0, 0.0, 0.06]}",SingleLayer,na,30,0.0,na,na,43.06,na,-5.60848,1.927,"[[90.0, 2.8, -5.0, 0.0, -0.0, 0.0], [2.8, 90.0, -5.0, 0.0, 0.0, -0.0], [-11.2, -11.2, -4.7, 0.0, -0.0, -0.0], [0.0, 0.0, 0.0, 19.5, -0.0, -0.0], [-0.0, 0.0, -0.0, -0.0, -0.2, 0.0], [0.0, -0.0, -0.0, -0.0, 0.0, -0.2]]",2.0,0.155,na,JVASP-28223,na,0.0,na,FeC2O6,9,P-3,OptB88vdW,147,na,na,na,-1.17809 +na,800,na,2.4156,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,71.05,na,-2.84044,0.0,"[[93.8, 39.5, -0.2, 0.0, 0.0, 0.0], [39.5, 93.8, -0.2, 0.0, 0.0, 0.0], [-0.7, -0.7, -0.4, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 14.2, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, -0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, -0.1]]",0.0,0.094,na,JVASP-6220,na,2.898,na,BiClO,6,P4/nmm,OptB88vdW,129,na,na,na,-1.32744 +386.9733333333333,900,-34.97666666666667,26.1358,na,"{'p': [0.0, 0.0, 0.02], 'n': [0.0, 0.0, 0.02]}",SingleLayer,na,30,0.0,na,na,na,na,-4.71767,2.878,na,2.95,na,na,JVASP-28236,na,0.0,na,FeCoO4,6,P2/m,OptB88vdW,10,na,na,na,-1.08858 +341.4533333333333,700,270.9533333333333,2.6087,na,"{'p': [6.35, 2.47, 2921.42], 'n': [1.69, 1.27, 21005.84]}",SingleLayer,na,30,0.0,na,na,66.63,na,-3.84768,0.0,na,0.0,0.001,na,JVASP-6325,na,1.905,na,ScPS4,12,P-1,OptB88vdW,2,na,na,na,-0.94098 +24.49666666666667,850,20.85,2.7367,na,"{'p': [0.0, 0.0, 1.81], 'n': [0.0, 0.0, 1.81]}",SingleLayer,na,65,0.0,na,na,67.44,na,-6.82167,0.0,"[[-782.3, 1058.1, -0.5, -0.0, 0.0, -0.0], [1058.1, -782.3, -0.5, 0.0, -0.0, 0.0], [-1.2, -1.2, -1.2, -0.0, -0.0, 0.0], [-0.0, 0.0, -0.0, -409.6, 0.0, -0.0], [0.0, -0.0, -0.0, 0.0, 0.1, -0.0], [-0.0, 0.0, 0.0, -0.0, -0.0, 0.1]]",0.0,0.213,na,JVASP-31356,na,0.0,na,NbO2,3,P-6m2,OptB88vdW,187,na,na,na,-2.24528 +1101.1266666666668,800,334.19,3.4853,na,"{'p': [3.57, 4.81, 15109.97], 'n': [0.37, 0.63, 435.89]}",SingleLayer,na,30,0.0,na,na,93.95,na,-2.16808,0.0,"[[46.9, 11.4, -0.9, 0.0, 0.1, 0.0], [11.4, 49.6, -0.8, 0.0, 0.1, 0.0], [-2.5, -2.2, -1.3, 0.0, 0.2, 0.0], [0.0, 0.0, 0.0, 5.6, 0.0, 0.0], [0.4, 0.3, 0.2, 0.0, -0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.0,0.044,na,JVASP-8888,na,1.231,na,TeRhCl,6,P2_1/m,OptB88vdW,11,na,na,na,-0.4352 +na,1000,na,20.8486,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,85,0.0,na,na,na,na,-4.42456,0.0,na,0.0,0.132,na,JVASP-27848,na,0.015,na,TbCBr,6,C2/m,OptB88vdW,12,na,na,na,-1.15166 +256.01,700,302.61333333333334,1.8978,na,"{'p': [1.68, 1.68, 1805.74], 'n': [0.39, 0.39, 25737.35]}",SingleLayer,na,30,0.0,na,na,83.86,na,-2.65188,0.0,"[[40.7, 1.2, -0.1, 0.0, 0.0, 0.0], [1.2, 40.7, -0.1, 0.0, 0.0, 0.0], [-0.3, -0.3, -0.3, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 6.4, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.2, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.2]]",0.0,0.026,na,JVASP-8891,na,4.38,na,BaIF,6,P4/nmm,OptB88vdW,129,na,na,na,-2.96823 +376.97666666666663,1200,144.30666666666667,2.489,na,"{'p': [1.38, 1.38, 126.77], 'n': [4.67, 4.67, 1100.9]}",SingleLayer,na,25,0.0,na,na,34.59,na,-5.57036,0.0,na,0.0,0.001,na,JVASP-28250,1.911,1.884,24.92,TiGeO3,10,P-3,OptB88vdW,147,na,na,na,-2.41311 +20.793333333333333,1150,11.063333333333333,20.7524,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,65,0.0,na,na,1604.04,na,-3.16822,1.744,na,2.071,na,na,JVASP-28252,na,0.0,na,Mg2SiO4,7,P4/mmm,OptB88vdW,123,na,na,na,-1.06334 +1160.3333333333333,500,-29.25333333333333,7.6645,na,"{'p': [0.0, 0.0, 0.04], 'n': [0.0, 0.0, 0.04]}",SingleLayer,na,75,0.0,na,na,44.67,na,-1.331,0.0,na,0.0,0.16,na,JVASP-27849,0.0,0.002,na,TbGaI,6,P-3m1,OptB88vdW,164,na,na,na,-1.03401 +294.87666666666667,700,-38.07666666666667,33.4227,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,40,0.0,na,na,71.67,na,-3.55798,2.72,na,2.953,na,na,JVASP-27851,na,0.0,na,Al2FeS4,7,P3m1,OptB88vdW,156,na,na,na,-0.83256 +484.1133333333333,1200,264.51,1.6353,na,"{'p': [0.7, 3.05, 34372.01], 'n': [1.12, 1.01, 208906.94]}",SingleLayer,na,25,0.0,na,na,38.11,na,-3.8562,0.0,"[[0.04264629981152124, 5467467.580811796, 1514166275499.1812, 799725954078285.5, 2.4703419337304228e+16, 1.2559790094560186e+17], [2.2445148457586463, 104423692.23747642, 6306593400594.114, 1557636346105927.5, 2.9304015824966596e+16, 1.4570131824051347e+17], [27.01289414637357, 1091244877.8129888, 20695137382535.957, 2944370542805076.5, 4.331516370826021e+16, 1.669924321401325e+17], [1294.3627890721878, 9719312684.603924, 72235135589996.06, 4728557689870748.0, 5.902845799262337e+16, 1.8888637562559542e+17], [18466.274511326246, 64282215583.06869, 160681443368461.3, 1.0588192142752422e+16, 6.4004081901235224e+16, 2.0983673688692166e+17], [343044.7273695646, 394372205270.0156, 425991915135588.56, 1.5002177788745792e+16, 8.131586425341026e+16, 1.1897422755168854e+17]]",0.0,0.001,na,JVASP-28262,3.922,1.216,0.07,GaHO2,8,Pmn2_1,OptB88vdW,31,na,na,na,-1.54333 +na,2700,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,543.47,na,-0.70727,0.0,na,0.0,0.025,na,JVASP-28268,na,1.401,na,GeTe,2,P3m1,OptB88vdW,156,na,na,na,0.43312 +3.5333333333333337,700,-1.3433333333333335,41.9693,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,65,0.0,na,na,43.94,na,-4.73086,0.0,na,0.0,0.087,na,JVASP-27853,na,0.0,na,Nb2CoS4,7,P-3m1,OptB88vdW,164,na,na,na,-0.58621 +2172.5433333333335,500,0.5833333333333357,21.3806,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,105,0.0,na,na,74.0,na,-3.28563,0.0,na,0.0,2.013,na,JVASP-27855,na,0.0,na,HfTe3,8,P2_1/m,OptB88vdW,11,na,na,na,-0.55041 +6.836666666666667,500,-12.57,21.0529,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,95,0.0,na,na,52.46,na,-1.82881,0.0,"[[5e-324, nan, 0.0, 2.1219957905e-314, nan, 0.0], [0.0, 0.0, 2.1219957915e-314, 0.0, 0.0, nan], [5e-324, nan, 0.0, 5e-324, 2.121995791e-314, 0.0], [0.0, 2.1219957905e-314, 2.121995791e-314, 0.0, 5e-324, 2.121995791e-314], [nan, 0.0, 0.0, 4.2439915814e-314, 0.0, 0.0], [0.0, 2.1219957905e-314, nan, 0.0, 2.1219957905e-314, 2.121995791e-314]]",0.0,0.668,na,JVASP-27856,0.0,0.0,na,LuTe3,8,Pmma,OptB88vdW,51,na,na,na,-0.47276 +12.003333333333332,500,-13.703333333333333,21.0214,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,95,0.0,na,na,52.0,na,-1.91692,0.0,na,0.0,0.919,na,JVASP-27858,na,0.0,na,DyTe3,8,Pmma,OptB88vdW,51,na,na,na,-0.53742 +4672.053333333333,500,249.31333333333336,7.5899,na,"{'p': [8.22, 0.79, 330.33], 'n': [0.27, 17.77, 10.42]}",SingleLayer,na,35,0.0,na,na,70.24,na,-2.95715,0.0,"[[0.0, 0.0, 5e-324, 5e-324, 1e-323, 1e-323], [0.0, 1e-323, 0.0, 1e-323, 0.0, 1e-323], [0.0, 0.0, 0.0, 0.0, 0.0, 0.0], [0.0, 0.0, 5e-324, 5e-324, 1e-323, 1e-323], [5e-324, 1.5e-323, 5e-324, 1.5e-323, 5e-324, 1.5e-323], [0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]",0.0,0.311,na,JVASP-27859,1.494,0.665,32.39,ThTe3,8,P2_1/m,OptB88vdW,11,na,na,na,-0.92261 +3636.7433333333333,500,106.89666666666666,3.9859,na,"{'p': [0.44, 0.44, 8.08], 'n': [0.25, 0.25, 22.27]}",SingleLayer,na,40,0.0,na,na,150.55,na,-2.93548,0.0,na,0.0,0.003,na,JVASP-27862,2.179,1.632,19.09,As,2,P-3m1,OptB88vdW,164,na,na,na,0.15055 +53.669999999999995,600,-12.356666666666664,16.7099,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,45,0.0,na,na,58.85,na,-4.19486,0.0,na,0.0,1.057,na,JVASP-27864,0.0,0.0,na,Ti2Te2P,5,P-3m1,OptB88vdW,164,na,na,na,-0.87844 +7.75,800,-29.916666666666668,27.1645,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,65,0.0,na,na,411.29,na,-5.24242,0.0,na,0.0,0.075,na,JVASP-27865,0.0,0.0,na,Y2C,3,P-3m1,OptB88vdW,164,na,na,na,0.01631 +174.88666666666666,1100,-22.099999999999998,36.9013,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,95,0.0,na,na,na,na,-4.89803,0.0,na,0.0,na,na,JVASP-27866,na,0.0,na,B3P2,15,P-3m1,OptB88vdW,164,na,na,na,0.79484 +522.9666666666666,700,180.29666666666665,3.3569,na,"{'p': [1.31, 0.42, 9.61], 'n': [0.69, 0.19, 10.79]}",SingleLayer,na,40,0.0,na,na,173.8,na,-2.26131,0.0,na,0.0,0.354,na,JVASP-28270,1.748,1.448,28.39,BiS2,6,C2/m,OptB88vdW,12,na,na,na,-0.19279 +2267.96,500,208.04333333333332,26.6142,na,"{'p': [0.26, 0.26, 5.08], 'n': [0.65, 0.65, 2.78]}",SingleLayer,na,75,0.0,na,na,na,na,-1.70626,0.0,na,0.0,0.168,na,JVASP-27869,0.685,0.692,23.53,GeTe4As2,7,P-3m1,OptB88vdW,164,na,na,na,0.02163 +4577.009999999999,500,165.62,6.6092,na,"{'p': [0.16, 0.09, 10.0], 'n': [0.13, 0.12, 8.64]}",SingleLayer,na,45,0.0,na,na,58.53,na,-4.19942,0.0,na,0.0,0.121,na,JVASP-27870,na,0.422,na,HfSe3,8,P2_1/m,OptB88vdW,11,na,na,na,-0.98623 +5.236666666666666,850,-21.173333333333336,26.9886,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,50,0.0,na,na,400.66,na,-3.88657,0.0,na,0.0,0.408,na,JVASP-27872,na,0.0,na,Ho2C,3,P-3m1,OptB88vdW,164,na,na,na,0.03264 +459.4633333333333,1250,225.24,1.514,na,"{'p': [1.25, 1.25, 12315.8], 'n': [0.34, 0.34, 176.39]}",SingleLayer,na,25,0.0,na,na,44.03,na,-7.11599,0.0,na,0.0,0.0,na,JVASP-28277,2.05,2.526,21.86,B2C3N6,11,P-62m,OptB88vdW,189,na,na,na,-0.10021 +1106.03,700,174.85,3.4146,na,"{'p': [1.77, 0.45, 326.27], 'n': [1.37, 0.71, 242.15]}",SingleLayer,na,30,0.0,na,na,132.33,na,-2.01207,0.0,na,0.0,0.002,na,JVASP-27885,na,1.744,na,GeS,4,Pmn2_1,OptB88vdW,31,na,na,na,-0.22721 +49.68666666666667,600,24.763333333333332,5.5257,na,"{'p': [0.01, 0.0, 0.84], 'n': [0.01, 0.0, 0.84]}",SingleLayer,na,70,0.0,na,na,67.01,na,-1.7197,0.5720000000000001,na,1.371,na,na,JVASP-27887,na,0.0,na,Pr2I5,14,P2_1/m,OptB88vdW,11,na,na,na,-1.38099 +562.6,1150,220.1933333333333,1.3694,na,"{'p': [1.34, 1.34, 3127.27], 'n': [0.69, 0.69, 940.14]}",SingleLayer,na,20,0.0,na,na,na,na,-1.92085,0.0,"[[24.2, 22.3, 0.1, -0.0, 0.0, -0.0], [22.3, 24.2, 0.1, 0.0, 0.0, 0.0], [0.2, 0.2, -0.3, 0.0, 0.0, 0.0], [0.0, -0.0, -0.0, 3.9, 0.0, -0.0], [-0.0, 0.0, -0.0, 0.0, -0.1, 0.0], [-0.0, 0.0, 0.0, -0.0, 0.0, -0.1]]",0.001,0.001,na,JVASP-27889,3.815,2.928,0.22,AgClO4,6,P-42m,OptB88vdW,111,na,na,na,0.17956 +466.0666666666668,1000,296.26666666666665,na,na,"{'p': [5.42, 6.2, 55198.41], 'n': [3.29, 1.08, 4877.57]}",SingleLayer,na,30,0.0,na,na,95.97,na,-2.28062,0.0,na,0.0,0.053,na,JVASP-9023,na,1.356,na,Rb2Pd3S4,9,P6/mmm,OptB88vdW,191,na,na,na,-0.706 +1242.4366666666667,650,248.0533333333333,2.506,na,"{'p': [0.92, 0.92, 132.47], 'n': [0.41, 0.41, 30345.45]}",SingleLayer,na,30,0.0,na,na,83.28,na,-2.21036,0.0,na,0.0,0.004,na,JVASP-756,na,1.553,na,SnS2,3,P-3m1,OptB88vdW,164,na,na,na,-0.3566 +189.14000000000001,650,242.64333333333332,na,na,"{'p': [4.49, 1.45, 3992.84], 'n': [1.11, 1.1, 32056.45]}",SingleLayer,na,50,0.0,na,na,223.31,na,-2.09905,0.0,na,0.0,0.015,na,JVASP-9026,na,1.669,na,KSbS2,8,P2/c,OptB88vdW,13,na,na,na,-0.61963 +1535.5599999999997,600,42.826666666666675,3.0626,na,"{'p': [0.29, 0.29, 29.29], 'n': [0.58, 0.58, 25374.59]}",SingleLayer,na,30,0.0,na,na,88.92,na,-5.17937,0.0,na,0.0,0.001,na,JVASP-689,na,1.242,na,ZrS2,3,P-3m1,OptB88vdW,164,na,1.96,na,-1.59705 +168.45333333333335,650,-34.04,na,na,"{'p': [0.0, 0.0, 1.01], 'n': [0.0, 0.0, 1.01]}",SingleLayer,na,30,0.0,na,na,na,na,-4.4918,0.7439999999999999,na,0.864,na,na,JVASP-6862,na,0.0,na,VS2,3,P-6m2,OptB88vdW,187,na,na,na,-0.88941 +25.919999999999998,800,15.92,36.9276,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,55,0.0,na,na,946.44,na,-5.47565,1.332,"[[120.1, 40.1, 2.2, -0.0, -0.0, 0.0], [40.1, 120.1, 2.2, -0.0, 0.0, 0.0], [6.6, 6.6, 4.2, -0.0, -0.0, 0.0], [-0.0, -0.0, -0.0, 13.0, 0.0, -0.0], [-0.1, 0.1, -0.0, 0.0, 0.1, -0.0], [0.0, 0.0, 0.0, -0.0, -0.0, 0.1]]",1.921,na,na,JVASP-768,na,0.0,na,Ti2O,3,P-3m1,OptB88vdW,164,na,na,na,-1.00886 +na,500,na,24.3189,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,115,0.0,na,na,57.25,na,-2.4473,0.0,na,0.0,0.391,na,JVASP-6421,na,0.0,na,PrTe3,8,P4/nmm,OptB88vdW,129,na,na,na,-0.97359 +109.95333333333333,500,-10.543333333333335,na,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,90,0.0,na,na,1002.0,na,-5.68644,0.709,na,1.2,na,na,JVASP-6613,na,0.0,na,TaP,2,P4/mmm,OptB88vdW,123,na,na,na,0.76472 +1019.4,500,-65.21333333333334,na,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,35,0.0,na,na,na,na,-1.21222,0.0,na,0.0,na,na,JVASP-6625,na,0.0,na,Sr3Si2,5,P-3m1,OptB88vdW,164,na,na,na,0.00509 +126.17333333333335,750,167.31,na,na,"{'p': [0.1, 0.1, 4.47], 'n': [0.07, 0.07, 2.42]}",SingleLayer,na,80,0.0,na,na,118.68,na,-0.34507,0.0,na,0.0,0.018,na,JVASP-8864,na,0.387,na,NaZnAs,6,P4/nmm,OptB88vdW,129,na,na,na,-0.33023 +7.426666666666667,900,7.126666666666666,na,na,"{'p': [0.0, 0.0, 0.11], 'n': [0.0, 0.0, 0.11]}",SingleLayer,na,30,0.0,na,na,na,na,-3.23378,1.366,na,2.0,0.004,na,JVASP-6631,na,0.0,na,CaN,4,P-3m1,OptB88vdW,164,na,na,na,-0.09254 +1.0933333333333333,600,-5.359999999999999,na,na,"{'p': [0.0, 0.0, 0.14], 'n': [0.0, 0.0, 0.14]}",SingleLayer,na,45,0.0,na,na,95.66,na,-4.21858,0.0,na,0.0,0.01,na,JVASP-6010,na,0.0,na,TiSe,4,P4/nmm,OptB88vdW,129,na,na,na,-0.74471 +288.2766666666667,900,-9.34,na,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,35,0.0,na,na,na,na,-4.15366,0.0,na,0.0,0.226,na,JVASP-6634,na,0.0,na,PtN2,3,P-3m1,OptB88vdW,164,na,na,na,1.58543 +1543.5199999999998,600,303.18666666666667,na,na,"{'p': [0.6, 0.6, 144.32], 'n': [0.41, 0.41, 145.5]}",SingleLayer,na,55,0.0,na,na,na,na,-3.42486,0.0,na,0.0,na,na,JVASP-6865,na,0.539,na,ZrTe2,3,P-6m2,OptB88vdW,187,na,na,na,-0.70182 +551.4566666666666,850,249.31333333333336,2.2985,na,"{'p': [63.04, 2.02, 5738.29], 'n': [34.12, 0.5, 3069.77]}",SingleLayer,na,25,0.0,na,na,107.79,na,-2.61707,0.0,"[[60.1, 8.5, -0.0, 0.0, -0.1, -0.0], [8.5, 38.7, -0.0, 0.0, 0.0, -0.0], [-0.1, -0.1, -0.1, 0.0, -0.0, -0.0], [0.0, 0.0, 0.0, 2.7, -0.0, -0.1], [-0.1, 0.0, -0.0, -0.0, -0.0, 0.0], [-0.0, -0.0, -0.0, -0.1, 0.0, -0.0]]",0.0,0.106,na,JVASP-28280,2.46,2.058,13.44,AgBiO2,8,P2_1/m,OptB88vdW,11,na,na,na,-0.80342 +355.74,500,286.9633333333333,3.3766,na,"{'p': [1.96, 1.96, 125.74], 'n': [4.32, 4.32, 1534.33]}",SingleLayer,na,35,0.0,na,na,75.37,na,-2.65794,0.0,na,0.0,0.018,na,JVASP-6352,na,1.651,na,ScAgP2Se6,10,P312,OptB88vdW,149,na,na,na,-0.4442 +na,500,na,13.2539,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,50,0.0,na,na,78.13,na,-1.6388,0.0,na,0.0,0.136,na,JVASP-27724,na,0.747,na,Sb2Te3,5,P-3m1,OptB88vdW,164,na,na,na,-0.05276 +185.35,500,310.28000000000003,3.0587,na,"{'p': [3.34, 3.34, 277.77], 'n': [1.15, 1.15, 193.79]}",SingleLayer,na,35,0.0,na,na,77.71,na,-2.51418,0.0,na,0.0,0.035,na,JVASP-6355,na,1.473,na,ErAgP2Se6,10,P312,OptB88vdW,149,na,na,na,-0.46577 +923.1600000000002,500,310.50666666666666,3.0804,na,"{'p': [3.35, 3.35, 264.29], 'n': [1.08, 1.08, 145.4]}",SingleLayer,na,35,0.0,na,na,77.55,na,-2.51252,0.0,na,0.0,0.036,na,JVASP-6346,na,1.79,na,TmAgP2Se6,10,P312,OptB88vdW,149,na,na,na,-0.46587 +725.3399999999998,650,257.2466666666667,2.5031,na,"{'p': [3.09, 1.76, 2023.53], 'n': [1.94, 0.61, 802.75]}",SingleLayer,na,55,0.0,na,na,145.07,na,-2.57858,0.0,na,0.0,0.015,na,JVASP-720,na,1.282,na,PdS2,6,P2_1/c,OptB88vdW,14,na,na,na,-0.17124 +1.2,500,21.41333333333333,3.1788,na,"{'p': [0.0, 0.0, 0.35], 'n': [0.0, 0.0, 0.35]}",SingleLayer,na,35,0.0,na,na,88.52,na,-4.94462,0.0,"[[99.2, 33.8, 0.2, 0.0, 0.0, 0.0], [33.8, 99.2, 0.2, 0.0, 0.0, 0.0], [0.7, 0.7, 0.9, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 10.6, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.2, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.2]]",0.0,0.055,na,JVASP-6013,na,0.0,na,TaSe2,3,P-6m2,OptB88vdW,187,na,na,na,-0.72996 +18.38,700,-8.396666666666667,2.9219,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,45,0.0,na,na,78.46,na,-5.70809,0.0,"[[117.5, 41.4, 0.0, 0.0, 0.0, 0.0], [41.4, 117.5, 0.0, 0.0, 0.0, 0.0], [0.0, 0.0, -0.2, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 13.1, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.2, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.2]]",0.002,1.037,na,JVASP-5959,na,0.0,na,TaS2,3,P-6m2,OptB88vdW,187,na,na,na,-1.05902 +253.91666666666666,650,36.156666666666666,13.2355,na,"{'p': [0.0, 0.0, 0.02], 'n': [0.0, 0.0, 0.02]}",SingleLayer,na,35,0.0,na,na,124.5,na,-3.37666,0.0,"[[66.3, 23.7, 0.1, -0.0, -0.0, 0.0], [23.7, 66.3, 0.1, -0.0, 0.0, 0.0], [0.3, 0.3, 1.7, -0.0, -0.0, 0.0], [-0.0, -0.0, -0.0, 9.5, 0.0, -0.0], [-0.1, 0.1, -0.0, 0.0, 0.1, -0.0], [0.0, 0.0, 0.0, -0.0, -0.0, 0.1]]",0.0,0.973,na,JVASP-28291,0.0,0.0,na,CoS2,3,P-3m1,OptB88vdW,164,na,na,na,-0.25027 +6.536666666666666,700,17.113333333333333,15.0908,na,"{'p': [0.0, 0.0, 0.02], 'n': [0.0, 0.0, 0.02]}",SingleLayer,na,30,0.0,na,na,50.57,na,-3.52318,1.69,na,1.739,na,na,JVASP-28292,na,0.0,na,FeS2,3,P-3m1,OptB88vdW,164,na,na,na,-0.33102 +177.59333333333336,500,266.8466666666667,3.8685,na,"{'p': [5.5, 1.16, 2278.62], 'n': [3.35, 5.76, 8234.03]}",SingleLayer,na,35,0.0,na,na,100.07,na,-1.49977,0.0,na,0.0,0.041,na,JVASP-6643,na,1.23,na,K2Se5,14,P2_1,OptB88vdW,4,na,na,na,-0.52942 +27.180000000000003,650,-3.4066666666666676,na,na,"{'p': [0.0, 0.0, 2.64], 'n': [0.0, 0.0, 2.64]}",SingleLayer,na,40,0.0,na,na,na,na,-5.13651,0.0,na,0.0,na,na,JVASP-5992,na,0.0,na,NbS2,3,P-6m2,OptB88vdW,187,na,na,na,-1.02992 +203.06000000000003,500,-17.39,na,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,70,0.0,na,na,109.77,na,-3.11785,0.0,na,0.0,0.559,na,JVASP-780,na,0.0,na,TiTe2,3,P-3m1,OptB88vdW,164,na,na,na,-0.60966 +575.9233333333333,700,238.63,2.6571,na,"{'p': [2.27, 2.27, 276946.5], 'n': [1.23, 1.23, 11576.9]}",SingleLayer,na,30,0.0,na,na,58.42,na,-1.15615,0.0,"[[73.4, 17.5, 0.0, 0.0, 0.0, 0.0], [17.5, 73.4, 0.0, 0.0, 0.0, 0.0], [0.0, 0.0, -2.6, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 7.4, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.4, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.4]]",0.0,0.007,na,JVASP-687,na,1.84,na,GaSe,4,P-6m2,OptB88vdW,187,na,2.76,na,-0.52317 +3.1266666666666665,1350,-9.1,na,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,45,0.0,na,na,na,na,-2.17423,0.0,na,0.0,1.001,na,JVASP-9032,na,0.0,na,Li4O,5,P4/mmm,OptB88vdW,123,na,na,na,-0.79318 +585.6933333333333,800,-109.53333333333332,na,na,"{'p': [0.0, 0.0, 0.18], 'n': [0.0, 0.0, 0.18]}",SingleLayer,na,45,0.0,na,na,na,na,-4.4961,0.0,na,0.001,na,na,JVASP-6886,na,0.0,na,LiTi2S4,7,P-3m1,OptB88vdW,164,na,na,na,-1.47765 +33.21,650,15.959999999999999,3.1692,na,"{'p': [0.0, 0.0, 0.51], 'n': [0.0, 0.0, 0.51]}",SingleLayer,na,40,0.0,na,na,87.15,na,-5.70795,0.0,"[[117.5, 41.4, 0.2, 0.0, 0.0, 0.0], [41.4, 117.5, 0.2, 0.0, 0.0, 0.0], [0.6, 0.6, 0.0, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 14.8, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.2, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.2]]",0.0,0.026,na,JVASP-6070,na,0.0,na,TaS2,3,P-6m2,OptB88vdW,187,na,na,na,-1.05888 +683.48,800,272.18666666666667,na,na,"{'p': [4.51, 4.51, 156898.57], 'n': [0.37, 0.37, 1867.63]}",SingleLayer,na,20,0.0,na,na,85.9,na,-2.91499,0.0,na,0.0,0.06,na,JVASP-6007,na,2.592,na,PbO,4,P4/nmm,OptB88vdW,129,na,3.5,na,-1.14555 +187.35333333333332,500,10.163333333333334,na,na,"{'p': [0.0, 0.0, 0.04], 'n': [0.0, 0.0, 0.04]}",SingleLayer,na,40,0.0,na,na,50.57,na,-2.71551,3.729,na,3.722,na,na,JVASP-6652,na,0.0,na,RbMnAs,6,P4/nmm,OptB88vdW,129,na,na,na,-0.22146 +26.286666666666665,700,10.906666666666666,17.1627,na,"{'p': [0.0, 0.0, 0.03], 'n': [0.0, 0.0, 0.03]}",SingleLayer,na,45,0.0,na,na,47.5,na,-3.19944,3.0620000000000003,"[[70.8, 21.5, -0.3, 0.0, 0.0, 0.0], [21.5, 70.8, -0.3, 0.0, 0.0, 0.0], [-1.0, -1.0, -0.7, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 7.4, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",2.878,na,na,JVASP-6241,na,0.0,na,KMnP,6,P4/nmm,OptB88vdW,129,na,na,na,-0.40971 +1151.6333333333334,850,343.27666666666664,na,na,"{'p': [3.25, 3.25, 5367.77], 'n': [0.72, 0.72, 8665.92]}",SingleLayer,na,45,0.0,na,na,422.91,na,-5.10388,0.0,na,0.0,0.031,na,JVASP-6244,na,2.484,na,TiPbO3,5,P4mm,OptB88vdW,99,na,na,na,-2.09374 +na,650,na,3.4508,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,50,0.0,na,na,187.61,na,-1.88544,0.0,na,0.002,na,na,JVASP-5890,na,1.813,na,PbS,4,P4/nmm,OptB88vdW,129,na,na,na,-0.46835 +1650.1666666666667,600,41.269999999999996,4.0399,na,"{'p': [0.34, 0.34, 6.96], 'n': [0.42, 0.42, 573.08]}",SingleLayer,na,40,0.0,na,na,95.44,na,-4.45382,0.0,na,0.0,0.008,na,JVASP-789,na,0.57,na,ZrSe2,3,P-3m1,OptB88vdW,164,na,1.16,na,-1.30592 +85.38333333333333,500,23.426666666666666,na,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,65,0.0,na,na,na,na,-0.70145,0.0,na,0.0,na,na,JVASP-6661,na,0.0,na,InSe2,6,P-3m1,OptB88vdW,164,na,na,na,0.31493 +45.849999999999994,850,-13.316666666666665,6.4357,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,80,0.0,na,na,43.11,na,-4.96114,0.0,na,0.0,1.004,na,JVASP-27890,na,0.0,na,TiBrO,6,Pmmn,OptB88vdW,59,na,na,na,-2.23072 +2156.9666666666667,650,-11.03,na,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,85,0.0,na,na,74.82,na,-2.98866,0.0,na,0.0,1.821,na,JVASP-5908,na,0.0,na,ZrTe3,8,P2_1/m,OptB88vdW,11,na,na,na,-0.64285 +1019.4733333333334,850,289.76,1.8661,na,"{'p': [4.54, 4.54, 751451.53], 'n': [1.56, 1.56, 90297.99]}",SingleLayer,na,20,0.0,na,na,100.68,na,-3.20973,0.0,na,0.0,0.007,na,JVASP-5888,na,3.025,na,SnO,4,P4/nmm,OptB88vdW,129,na,na,na,-1.32827 +0.27666666666666667,850,-0.49666666666666676,57.7948,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,80,0.0,na,na,na,na,-1.66619,0.0,"[[152.3, 49.8, 0.8, 0.0, 0.1, -0.0], [49.8, 152.3, 0.8, 0.0, -0.1, -0.0], [1.9, 1.9, 1.2, 0.0, 0.0, -0.0], [0.0, 0.0, 0.0, 21.0, -0.0, 0.1], [0.2, -0.2, 0.0, -0.0, 0.0, 0.0], [-0.0, -0.0, -0.0, 0.1, 0.0, 0.0]]",0.0,na,na,JVASP-6670,na,0.0,na,Pt2Pb,3,P-3m1,OptB88vdW,164,na,na,na,0.77342 +45.14333333333334,700,-0.793333333333333,na,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,70,0.0,na,na,50.65,na,-3.16959,3.193,na,3.106,na,na,JVASP-6676,na,0.0,na,RbMnP,6,P4/nmm,OptB88vdW,129,na,na,na,-0.38381 +567.7933333333334,650,44.22666666666667,6.3444,na,"{'p': [0.0, 0.0, 0.07], 'n': [0.0, 0.0, 0.07]}",SingleLayer,na,40,0.0,na,na,89.72,na,-4.69821,0.0,"[[79.1, 15.5, -0.3, 0.0, -0.0, 0.0], [15.5, 79.1, -0.3, 0.0, 0.0, 0.0], [-0.8, -0.8, -0.7, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 10.5, 0.0, -0.0], [-0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, -0.0, 0.0, 0.1]]",0.0,0.001,na,JVASP-771,na,0.051,na,TiS2,3,P-3m1,OptB88vdW,164,na,0.7,na,-1.33074 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,143.57,na,-1.53052,0.0,na,0.0,0.028,na,JVASP-6028,na,1.193,na,SnSe,4,P4/nmm,OptB88vdW,129,na,na,na,-0.32722 +91.63666666666666,500,10.386666666666667,19.7098,na,"{'p': [0.0, 0.0, 0.19], 'n': [0.0, 0.0, 0.19]}",SingleLayer,na,30,0.0,na,na,na,na,-3.71073,2.140000000000001,na,2.17,na,na,JVASP-6889,na,0.0,na,CrSe2,3,P-3m1,OptB88vdW,164,na,na,na,-0.35145 +342.0533333333333,500,-21.19666666666667,8.9585,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,70,0.0,na,na,94.48,na,-4.00133,0.0,"[[65.6, 14.3, 0.2, 0.0, -0.0, 0.0], [14.3, 65.6, 0.2, 0.0, 0.0, 0.0], [0.7, 0.7, 1.2, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 8.4, 0.0, -0.0], [-0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, -0.0, 0.0, 0.1]]",0.0,0.054,na,JVASP-777,na,0.0,na,TiSe2,3,P-3m1,OptB88vdW,164,na,na,na,-1.06827 +470.35666666666674,1200,325.12,na,na,"{'p': [2.02, 9.62, 29610.39], 'n': [0.99, 1.04, 6137.0]}",SingleLayer,na,25,0.0,na,na,62.29,na,-1.40931,0.0,na,0.0,0.009,na,JVASP-6715,na,1.425,na,AgClO2,16,Pcca,OptB88vdW,54,na,na,na,0.13743 +262.05333333333334,650,295.24666666666667,2.1494,na,"{'p': [1.16, 1.16, 13141.47], 'n': [0.41, 0.41, 2199.99]}",SingleLayer,na,20,0.0,na,na,92.22,na,-1.92083,0.0,na,0.0,0.036,na,JVASP-8894,na,3.592,na,PbClF,6,P4/nmm,OptB88vdW,129,na,na,na,-1.83229 +129.02333333333334,500,238.79999999999998,4.0629,na,"{'p': [0.86, 0.86, 620.38], 'n': [0.3, 0.3, 417.26]}",SingleLayer,na,35,0.0,na,na,103.58,na,-0.92766,0.0,na,0.0,0.178,na,JVASP-6229,na,1.617,na,BiTeI,3,P3m1,OptB88vdW,156,na,na,na,-0.2654 +na,650,na,11.9162,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,55,0.0,na,na,66.04,na,-4.66724,0.0,na,0.0,0.498,na,JVASP-27726,na,0.0,na,Zr2Te2P,5,P-3m1,OptB88vdW,164,na,na,na,-1.09301 +268.59666666666664,650,239.42333333333332,na,na,"{'p': [0.45, 0.45, 488.13], 'n': [0.37, 0.37, 400.18]}",SingleLayer,na,30,0.0,na,na,55.68,na,-1.4446,0.0,na,0.001,0.077,na,JVASP-6721,na,2.372,na,PbIF,6,P4/nmm,OptB88vdW,129,na,na,na,-1.54225 +446.18,600,177.24333333333334,2.992,na,"{'p': [2.67, 0.57, 76254.74], 'n': [0.3, 1.23, 9232.65]}",SingleLayer,na,35,0.0,na,na,124.35,na,-1.89378,0.0,na,0.0,0.021,na,JVASP-6409,na,1.589,na,SbSBr,6,P2_1/m,OptB88vdW,11,na,2.1,na,-0.3824 +3215.84,700,254.10999999999999,8.5711,na,"{'p': [0.48, 0.48, 276.15], 'n': [0.35, 0.35, 156.98]}",SingleLayer,na,60,0.0,na,na,67.3,na,-2.34727,0.0,"[[85.5, 23.7, 0.4, 0.0, 0.0, -0.0], [23.7, 85.5, 0.4, 0.0, -0.0, -0.0], [1.0, 1.0, 0.4, 0.0, -0.0, -0.0], [0.0, 0.0, 0.0, 13.8, 0.0, 0.0], [0.0, -0.0, -0.0, 0.0, 0.3, -0.0], [-0.0, -0.0, -0.0, 0.0, -0.0, 0.3]]",0.0,0.004,na,JVASP-28295,na,0.525,na,NiS2,3,P-3m1,OptB88vdW,164,na,na,na,-0.21851 +395.84666666666664,850,247.58,3.3463,na,"{'p': [0.56, 0.56, 22352.88], 'n': [1.13, 1.13, 17869.76]}",SingleLayer,na,35,0.0,na,na,52.17,na,-2.3522,0.0,na,0.0,0.114,na,JVASP-6214,na,1.424,na,BiIO,6,P4/nmm,OptB88vdW,129,na,na,na,-1.02539 +402.53000000000003,500,225.18666666666664,3.1629,na,"{'p': [0.47, 5.02, 333.6], 'n': [0.15, 0.56, 106.23]}",SingleLayer,na,45,0.0,na,na,236.63,na,-1.29009,0.0,na,0.0,0.076,na,JVASP-6361,na,1.189,na,SbSeI,6,Pmn2_1,OptB88vdW,31,na,1.88,na,-0.10058 +1814.0733333333335,650,164.92333333333332,na,na,"{'p': [0.27, 2.71, 872.21], 'n': [1.22, 0.12, 526.97]}",SingleLayer,na,60,0.0,na,na,101.7,na,-1.55751,0.0,na,0.0,0.083,na,JVASP-6724,na,0.891,na,SbSI,6,Pmmn,OptB88vdW,59,na,na,na,-0.15079 +252.22333333333333,500,297.78333333333336,3.028,na,"{'p': [2.27, 2.47, 2504.55], 'n': [1.26, 3.33, 1457.52]}",SingleLayer,na,35,0.0,na,na,217.49,na,-1.09256,0.0,na,0.0,0.215,na,JVASP-6727,na,1.85,na,BiSeI,6,P2_1/m,OptB88vdW,11,na,na,na,-0.21786 +na,900,na,23.579,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,na,na,-2.75728,1.88,"[[47.4, 27.6, -0.1, 0.0, -0.0, 0.0], [27.6, 47.4, -0.1, 0.0, 0.0, 0.0], [-0.3, -0.3, -0.1, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 3.5, 0.0, -0.0], [-0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, -0.0, 0.0, 0.1]]",3.0,na,na,JVASP-9035,na,0.0,na,Sr2N2Cl,5,P-3m1,OptB88vdW,164,na,na,na,-0.28645 +215.7933333333333,650,261.18666666666667,na,na,"{'p': [1.52, 2.73, 81.19], 'n': [0.4, 0.49, 16.16]}",SingleLayer,na,40,0.0,na,na,200.96,na,-1.57742,0.0,na,0.0,0.055,na,JVASP-6730,na,1.871,na,SbSI,6,P2_1/m,OptB88vdW,11,na,na,na,-0.1707 +na,900,na,23.153,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,na,na,-2.61873,1.879,"[[49.1, 28.2, -0.1, 0.0, -0.0, 0.0], [28.2, 49.1, -0.1, 0.0, 0.0, 0.0], [-0.1, -0.1, 0.0, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 3.6, 0.0, -0.0], [-0.1, 0.1, 0.0, 0.0, 0.2, 0.0], [0.0, 0.0, 0.0, -0.0, 0.0, 0.2]]",3.0,na,na,JVASP-9038,na,0.0,na,Sr2BrN2,5,P-3m1,OptB88vdW,164,na,na,na,-0.19683 +442.18666666666667,900,321.76666666666665,na,na,"{'p': [21.87, 23.06, 403801.81], 'n': [0.96, 4.78, 14403.78]}",SingleLayer,na,25,0.0,na,na,61.94,na,-0.99699,0.0,na,0.0,0.01,na,JVASP-6532,na,1.847,na,SbCl5,12,P-1,OptB88vdW,2,na,na,na,-0.52984 +189.71333333333334,700,274.65666666666664,1.2537,na,"{'p': [3.33, 3.33, 900748.32], 'n': [3.42, 3.42, 3106631.58]}",SingleLayer,na,20,0.0,na,na,108.18,na,-2.4322,0.0,na,0.0,0.0,na,JVASP-5905,na,4.76,na,BCl3,4,P-62m,OptB88vdW,189,na,6.23,na,-0.84353 +298.7866666666667,600,204.91333333333333,1.6201,na,"{'p': [1.29, 1.29, 3159.63], 'n': [1.94, 1.94, 80541.28]}",SingleLayer,na,25,0.0,na,na,154.54,na,-1.04018,0.0,na,0.0,0.037,na,JVASP-6106,na,2.681,na,BI3,4,P-62m,OptB88vdW,189,na,na,na,0.12955 +na,900,na,9.5614,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,205.39,na,-2.41781,0.0,na,0.0,0.998,na,JVASP-27727,na,0.0,na,Ba2N,3,P-3m1,OptB88vdW,164,na,na,na,-0.34721 +392.21333333333337,500,261.17333333333335,2.2668,na,"{'p': [1.08, 1.08, 646.44], 'n': [0.53, 0.53, 1076.95]}",SingleLayer,na,30,0.0,na,na,109.31,na,0.98764,0.0,na,0.001,0.059,na,JVASP-6739,na,1.752,na,HgI2,3,P-4m2,OptB88vdW,115,na,na,na,-0.04546 +1329950.2366666666,900,55.71666666666666,15.7542,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,55,0.0,na,na,72.34,na,-1.85442,1.93,"[[38.5, 6.7, -1.6, 0.0, 0.0, 0.0], [6.7, 38.5, -1.6, 0.0, 0.0, -0.0], [-3.1, -3.1, -0.4, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 8.3, -0.0, 0.0], [0.0, 0.0, 0.0, -0.0, 0.1, 0.0], [0.0, -0.0, 0.0, 0.0, 0.0, 0.1]]",2.002,na,na,JVASP-6742,na,0.003,na,FeCl3,8,P-31m,OptB88vdW,162,na,na,na,-0.61297 +1323.2166666666667,650,205.88666666666666,1.8968,na,"{'p': [1.76, 1.76, 140.67], 'n': [0.43, 0.43, 4841.65]}",SingleLayer,na,30,0.0,na,na,82.06,na,-0.3814,0.0,"[[33.0, 9.0, 0.3, 0.0, 0.0, 0.0], [9.0, 33.0, 0.3, 0.0, -0.0, 0.0], [0.8, 0.8, 0.9, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 4.3, 0.0, 0.0], [0.0, -0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.0,0.019,na,JVASP-5965,na,3.795,na,MgI2,3,P-3m1,OptB88vdW,164,na,4.62,na,-1.04358 +na,850,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,41.29,na,-5.23245,0.0,na,0.0,na,na,JVASP-27733,na,0.0,na,TiClO,6,Pmmn,OptB88vdW,59,na,na,na,-2.42049 +656.07,500,248.88666666666668,3.4267,na,"{'p': [1.56, 1.56, 144.71], 'n': [2.69, 2.69, 279.02]}",SingleLayer,na,30,0.0,na,na,96.39,na,-0.55087,0.0,na,0.0,0.125,na,JVASP-8912,na,2.181,na,AsI3,8,P-3,OptB88vdW,147,na,na,na,-0.09946 +229.96666666666667,600,226.16666666666666,1.3481,na,"{'p': [1.97, 1.97, 153786.28], 'n': [2.61, 2.61, 1193515.29]}",SingleLayer,na,25,0.0,na,na,125.36,na,-1.76094,0.0,na,0.0,0.006,na,JVASP-6004,na,3.808,na,BBr3,4,P-62m,OptB88vdW,189,na,na,na,-0.35573 +49.896666666666654,650,25.47,4.5903,na,"{'p': [0.0, 0.0, 0.12], 'n': [0.0, 0.0, 0.12]}",SingleLayer,na,20,0.0,na,na,67.41,na,-2.28234,3.826,"[[52.5, 16.6, 2.0, 0.0, -0.0, 0.0], [16.6, 52.5, 2.0, 0.0, 0.0, 0.0], [5.4, 5.4, 3.8, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 6.7, 0.0, -0.0], [-0.1, 0.1, 0.0, 0.0, -0.1, 0.0], [0.0, 0.0, 0.0, -0.0, 0.0, -0.1]]",4.001,na,na,JVASP-6055,na,0.0,na,FeCl2,3,P-3m1,OptB88vdW,164,na,na,na,-0.67101 +133.37,850,137.13,1.4079,na,"{'p': [2.07, 1.39, 59070.91], 'n': [4.54, 1.09, 127310.67]}",SingleLayer,na,20,0.0,na,na,96.07,na,-1.65867,0.0,"[[4.8, 1.8, -0.0, 0.0, 0.0, 0.0], [1.8, 5.2, 0.0, 0.0, 0.0, 0.0], [-0.1, 0.1, 0.1, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 0.4, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.0,0.001,na,JVASP-6139,na,1.888,na,PCl3,8,Pmc2_1,OptB88vdW,26,na,na,na,-0.56953 +21.706666666666667,650,71.23,15.0613,na,"{'p': [0.0, 0.0, 0.42], 'n': [0.0, 0.0, 0.42]}",SingleLayer,na,25,0.0,na,na,67.45,na,-2.04528,2.8640000000000003,na,3.0,na,na,JVASP-8915,na,0.0,na,CoCl2,3,P-3m1,OptB88vdW,164,na,0.44,na,-0.49972 +393.34666666666664,850,384.53000000000003,1.7275,na,"{'p': [4.72, 4.72, 5265.0], 'n': [0.37, 0.37, 466.89]}",SingleLayer,na,25,0.0,na,na,87.46,na,-3.83835,0.0,"[[128.8, 35.5, -1.7, 0.0, 0.0, 0.0], [35.5, 128.8, -1.7, 0.0, -0.0, 0.0], [-3.7, -3.7, -3.3, 0.0, -0.0, 0.0], [0.0, 0.0, 0.0, 21.2, 0.0, 0.0], [0.0, -0.0, -0.0, 0.0, 0.2, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.2]]",0.0,0.002,na,JVASP-28296,3.052,2.64,4.05,SnO2,3,P-3m1,OptB88vdW,164,na,na,na,-1.51479 +280.62666666666667,500,-56.27666666666667,4.3704,na,"{'p': [0.0, 0.0, 16.79], 'n': [0.0, 0.0, 16.78]}",SingleLayer,na,35,0.0,na,na,111.23,na,-1.66131,0.031,"[[30.4, 2.1, -0.1, 0.0, 0.0, 0.0], [2.1, 12.9, -0.1, 0.0, 0.0, 0.0], [-0.4, -0.3, -0.7, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 1.3, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.035,1.245,na,JVASP-6118,na,0.192,na,TiI3,8,Pmm2,OptB88vdW,25,na,na,na,-0.70733 +na,1300,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,na,na,-2.32552,0.0,na,0.0,na,na,JVASP-6061,na,6.309,na,BeCl2,6,Pccm,OptB88vdW,49,na,na,na,-1.42214 +172.82666666666668,850,254.16,1.574,na,"{'p': [2.89, 2.97, 10011.37], 'n': [1.57, 58.4, 238617.3]}",SingleLayer,na,25,0.0,na,na,77.78,na,-1.48934,0.0,na,0.0,0.003,na,JVASP-6364,na,2.482,na,AsCl3,8,P2_1/m,OptB88vdW,11,na,4.66,na,-0.61899 +186.50666666666666,500,225.83333333333334,2.743,na,"{'p': [1.04, 1.04, 2574.76], 'n': [1.21, 1.21, 957.56]}",SingleLayer,na,25,0.0,na,na,97.59,na,-0.46488,0.0,na,0.0,0.118,na,JVASP-5968,na,2.202,na,SbI3,8,P-31m,OptB88vdW,162,na,na,na,-0.249 +1230.3233333333333,950,213.62333333333333,3.1074,na,"{'p': [3.21, 0.42, 68.38], 'n': [0.26, 0.29, 4.49]}",SingleLayer,na,25,0.0,na,na,80.68,na,-4.09144,0.0,na,0.0,0.013,na,JVASP-28311,na,2.066,na,SbN,4,P1,OptB88vdW,1,na,na,na,0.41137 +265.65333333333336,900,249.67999999999998,3.5535,na,"{'p': [0.35, 1.28, 1343.55], 'n': [0.34, 0.34, 8857.89]}",SingleLayer,na,30,0.0,na,na,45.26,na,-5.5568,0.0,na,0.0,0.025,na,JVASP-27891,1.869,1.425,25.83,ZrIN,6,Pmmn,OptB88vdW,59,na,na,na,-1.49821 +272.01,700,255.83333333333334,1.5216,na,"{'p': [31.11, 12.01, 1236.44], 'n': [11.58, 2.67, 442.29]}",SingleLayer,na,30,0.0,na,na,100.05,na,-1.51251,0.0,na,0.0,0.011,na,JVASP-6418,na,1.217,na,AlBr3,8,P-1,OptB88vdW,2,na,na,na,-1.0352 +na,500,na,21.0765,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,50,0.0,na,na,80.01,na,-2.2395,0.0,na,0.0,0.083,na,JVASP-27738,na,0.0,na,ThI2,3,P-3m1,OptB88vdW,164,na,na,na,-1.02544 +106.63333333333334,700,41.089999999999996,4.5654,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,90,0.0,na,na,99.69,na,-1.6312,0.0,na,0.0,0.762,na,JVASP-6127,na,0.0,na,RuBr3,8,Pmma,OptB88vdW,51,na,na,na,-0.218 +na,600,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,89.72,na,-1.72945,0.0,na,0.0,na,na,JVASP-27739,na,2.018,na,ThI4,20,P2_1/c,OptB88vdW,14,na,na,na,-1.17173 +329.8066666666667,900,284.93666666666667,1.6998,na,"{'p': [2.82, 2.82, 1051.96], 'n': [5.43, 5.43, 38587.44]}",SingleLayer,na,20,0.0,na,na,69.31,na,-3.09683,0.0,na,0.0,0.001,na,JVASP-6142,na,3.784,na,ScCl3,8,P-31m,OptB88vdW,162,na,na,na,-2.13128 +176.97333333333336,700,162.85,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,90.04,na,-2.35548,0.0,na,0.0,na,na,JVASP-27740,na,2.656,na,NdBr3,8,Pmmn,OptB88vdW,59,na,na,na,-1.89485 +257.46,700,166.76666666666665,11.7465,na,"{'p': [5.77, 1.09, 3201.28], 'n': [0.3, 3.3, 163.33]}",SingleLayer,na,35,0.0,na,na,95.03,na,-2.37867,3.568,na,3.999,0.025,na,JVASP-6109,na,0.562,na,MoBr3,8,Pmm2,OptB88vdW,25,na,na,na,-0.47049 +na,1000,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,65.85,na,-4.14809,0.0,na,0.0,na,na,JVASP-27741,na,1.985,na,SiP,12,C2/m,OptB88vdW,12,na,na,na,-0.08296 +350.6466666666667,850,250.53333333333333,na,na,"{'p': [9.83, 5.54, 65031.19], 'n': [3.3, 0.66, 2855.88]}",SingleLayer,na,20,0.0,na,na,57.22,na,-2.77568,0.0,na,0.0,0.001,na,JVASP-6898,na,3.008,na,BCl2,12,P2_1/c,OptB88vdW,14,na,na,na,-0.70139 +517.67,700,279.9633333333333,1.8074,na,"{'p': [5.13, 0.91, 668.35], 'n': [1.73, 1.32, 2445.5]}",SingleLayer,na,25,0.0,na,na,89.15,na,-1.02934,0.0,na,0.0,0.023,na,JVASP-6403,na,3.085,na,AsBr3,8,P2_1,OptB88vdW,4,na,na,na,-0.34244 +204.7033333333333,600,184.35666666666665,2.7183,na,"{'p': [1.9, 0.78, 71306.91], 'n': [1.32, 17.98, 1242268.48]}",SingleLayer,na,30,0.0,na,na,110.97,na,-1.69726,0.0,na,0.0,0.158,na,JVASP-6535,na,1.426,na,BiSBr,6,P2_1/m,OptB88vdW,11,na,na,na,-0.5007 +184.24333333333334,500,102.57666666666667,na,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,65,0.0,na,na,43.94,na,-1.01043,0.0,na,0.0,3.102,na,JVASP-6901,na,0.0,na,Bi2TeI,8,P-3m1,OptB88vdW,164,na,na,na,-0.21386 +378.18,900,262.3566666666666,10.8395,na,"{'p': [3.83, 3.83, 915.5], 'n': [0.96, 0.96, 833.64]}",SingleLayer,na,35,0.0,na,na,86.92,na,-1.50564,2.5890000000000004,na,2.998,na,na,JVASP-6211,na,0.737,na,ReAg2Cl6,9,P-3,OptB88vdW,147,na,na,na,-0.47131 +321.9766666666667,750,-111.38666666666666,5.0817,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,60,0.0,na,na,na,na,-0.46338,0.0,na,0.0,na,na,JVASP-6904,na,0.0,na,Sr2In2I5,18,P4/mbm,OptB88vdW,127,na,na,na,-1.01254 +191.96333333333328,600,305.61333333333334,na,na,"{'p': [2.64, 3.22, 2424.38], 'n': [0.87, 1.54, 1497.58]}",SingleLayer,na,35,0.0,na,na,221.48,na,-1.33559,0.0,na,0.0,0.195,na,JVASP-6907,na,2.064,na,BiSI,6,P2_1/m,OptB88vdW,11,na,na,na,-0.24368 +226.68999999999997,1000,132.47666666666666,na,na,"{'p': [80.21, 7.42, 818.69], 'n': [137.94, 11.16, 1408.75]}",SingleLayer,na,25,0.0,na,na,94.56,na,-3.93035,0.0,na,0.0,0.0,na,JVASP-6604,na,1.52,na,SN,4,P-1,OptB88vdW,2,na,2.74,na,0.75202 +192.88,750,232.41666666666666,1.2086,na,"{'p': [2.52, 1.99, 91912.75], 'n': [1.12, 1.85, 40114.97]}",SingleLayer,na,20,0.0,na,na,39.65,na,-3.53215,0.0,na,0.0,0.0,na,JVASP-6544,na,2.304,na,SiH4,10,Pc,OptB88vdW,7,na,7.87,na,0.03883 +312.2833333333333,700,-68.03333333333335,na,na,"{'p': [0.0, 0.0, 0.08], 'n': [0.0, 0.0, 0.08]}",SingleLayer,na,35,0.0,na,na,na,na,-2.09731,0.0,na,0.0,0.004,na,JVASP-6910,na,0.0,na,Sr2H3,5,P-3m1,OptB88vdW,164,na,na,na,-0.34466 +563.87,500,253.97333333333336,2.9579,na,"{'p': [5.9, 1.51, 16656.61], 'n': [1.68, 0.76, 5403.94]}",SingleLayer,na,30,0.0,na,na,166.24,na,-2.06517,0.0,na,0.0,0.021,na,JVASP-723,na,1.437,na,PdSe2,6,P2_1/c,OptB88vdW,14,na,na,na,-0.09224 +381.3733333333333,650,304.82666666666665,2.0081,na,"{'p': [2.2, 2.2, 67524.05], 'n': [0.4, 0.4, 813.79]}",SingleLayer,na,30,0.0,na,na,57.39,na,-1.98254,0.0,"[[48.9, 2.7, -0.2, 0.0, 0.0, 0.0], [2.7, 48.9, -0.2, 0.0, 0.0, 0.0], [-0.5, -0.5, -0.2, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 6.2, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.0,0.021,na,JVASP-6208,na,4.05,na,SrHI,6,P4/nmm,OptB88vdW,129,na,na,na,-1.2345 +121.37,700,-27.2,na,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,50,0.0,na,na,na,na,-3.99249,2.092,na,2.139,na,na,JVASP-6913,na,0.0,na,MnH2,3,P-3m1,OptB88vdW,164,na,na,na,0.16858 +171.61333333333334,600,267.88666666666666,1.8477,na,"{'p': [5.22, 5.22, 90666.35], 'n': [1.03, 1.03, 68977.08]}",SingleLayer,na,25,0.0,na,na,82.8,na,-2.30322,0.0,na,0.0,0.006,na,JVASP-8927,na,2.336,na,SrHBr,6,P4/nmm,OptB88vdW,129,na,5.39,na,-1.45052 +563.9433333333333,850,248.85333333333332,11.753,na,"{'p': [2.0, 2.0, 1008.67], 'n': [0.67, 0.67, 362.98]}",SingleLayer,na,30,0.0,na,na,65.11,na,-3.72002,1.927,"[[48.7, 42.1, 4.3, 0.0, 0.0, -0.0], [42.1, 48.7, 4.3, 0.0, -0.0, -0.0], [10.6, 10.6, 9.3, 0.0, 0.0, -0.0], [0.0, 0.0, 0.0, 1.3, 0.0, 0.0], [0.0, -0.0, 0.0, 0.0, 0.3, -0.0], [-0.0, -0.0, -0.0, 0.0, -0.0, 0.3]]",2.0,na,na,JVASP-27754,na,0.85,na,NiH2O2,5,P-3m1,OptB88vdW,164,na,3.11,na,-0.7923 +127.56333333333332,650,96.62333333333333,na,na,"{'p': [0.62, 1.79, 552.51], 'n': [3.99, 2.48, 9584.36]}",SingleLayer,na,35,0.0,na,na,114.36,na,-2.69393,0.0,na,0.0,0.028,na,JVASP-6520,na,1.697,na,P4Se5,18,Pc,OptB88vdW,7,na,na,na,0.09518 +326.23333333333335,600,-10.250000000000002,8.2532,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,95,0.0,na,na,337.88,na,-0.38001,0.0,na,0.0,0.038,na,JVASP-6073,na,0.0,na,CaSn,4,Pmma,OptB88vdW,51,na,na,na,-0.39204 +400.41,650,-57.13666666666668,na,na,"{'p': [0.0, 0.0, 0.06], 'n': [0.0, 0.0, 0.06]}",SingleLayer,na,25,0.0,na,na,na,na,-2.15429,0.0,na,0.0,na,na,JVASP-6916,na,0.0,na,Ca2H3,5,P-3m1,OptB88vdW,164,na,na,na,-0.33311 +298.1933333333333,900,307.9866666666667,1.5459,na,"{'p': [8.19, 3.73, 2818.13], 'n': [1.86, 1.77, 713.99]}",SingleLayer,na,25,0.0,na,na,66.67,na,-2.19499,0.0,na,0.0,0.001,na,JVASP-6100,na,5.653,na,AlCl3,8,C2/m,OptB88vdW,12,na,na,na,-1.53422 +67.69666666666667,650,4.95,na,na,"{'p': [0.0, 0.0, 1.1], 'n': [0.0, 0.0, 1.1]}",SingleLayer,na,65,0.0,na,na,na,na,-1.64942,0.0,na,0.0,na,na,JVASP-6919,na,0.0,na,AlCl2,3,P-3m1,OptB88vdW,164,na,na,na,-0.81233 +395.32,800,282.25,na,na,"{'p': [6.25, 6.25, 8078.78], 'n': [1.04, 1.04, 337.94]}",SingleLayer,na,30,0.0,na,na,54.23,na,-5.70311,2.924,na,2.999,na,na,JVASP-6922,na,0.906,na,MnO2,3,P-3m1,OptB88vdW,164,na,3.56,na,-1.6845 +151.98666666666665,500,-4.34,na,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,85,0.0,na,na,na,na,0.21384,0.0,na,0.0,na,na,JVASP-6925,na,0.0,na,TlSn2,3,P4/mmm,OptB88vdW,123,na,na,na,0.29926 +519.9333333333333,650,-22.103333333333335,19.908,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,55,0.0,na,na,172.01,na,-1.31095,0.0,"[[41.1, 6.5, -0.4, 0.0, -0.0, 0.0], [6.5, 41.1, -0.4, 0.0, 0.0, 0.0], [-0.9, -0.9, -0.4, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 6.9, 0.0, -0.0], [-0.0, 0.0, 0.0, 0.0, 0.2, 0.0], [0.0, 0.0, 0.0, -0.0, 0.0, 0.2]]",0.001,0.528,na,JVASP-5977,na,0.0,na,NiTe2,3,P-3m1,OptB88vdW,164,na,na,na,-0.04147 +453.11999999999995,750,252.09666666666666,1.3026,na,"{'p': [1.52, 1.52, 37818.82], 'n': [1.08, 1.08, 124796.35]}",SingleLayer,na,20,0.0,na,na,216.9,na,-3.81012,0.0,"[[82.9, 30.3, 0.0, 0.0, 0.0, 0.0], [30.3, 82.9, 0.0, 0.0, 0.0, 0.0], [0.1, 0.1, -0.1, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 11.2, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.0,0.002,na,JVASP-8936,na,1.666,na,SrO2,3,P4/mmm,OptB88vdW,123,na,na,na,-1.92179 +338.3433333333333,700,257.08666666666664,na,na,"{'p': [6.45, 6.76, 64.57], 'n': [522.17, 447.32, 5634.2]}",SingleLayer,na,50,0.0,na,na,70.6,na,-1.93425,0.0,na,0.0,0.032,na,JVASP-6253,na,1.817,na,HgPS3,10,P-1,OptB88vdW,2,na,na,na,-0.08933 +na,700,na,na,na,"{'p': [0.0, 0.0, 1.55], 'n': [0.0, 0.0, 1.55]}",SingleLayer,na,40,0.0,na,na,82.83,na,-2.01558,7.238000000000001,na,7.998,na,na,JVASP-6397,na,0.144,na,CrI2,3,C2/m,OptB88vdW,12,na,na,na,-0.1751 +172.12,600,107.16333333333334,2.1303,na,"{'p': [0.73, 0.49, 196.31], 'n': [1.15, 1.41, 3295556.03]}",SingleLayer,na,30,0.0,na,na,58.96,na,-3.43903,0.0,na,0.0,0.045,na,JVASP-6205,na,1.565,na,LuSBr,6,Pmmn,OptB88vdW,59,na,na,na,-2.04835 +190.51666666666665,600,256.8533333333333,1.6016,na,"{'p': [7.04, 8.08, 759321.82], 'n': [3.93, 3.91, 2431561.75]}",SingleLayer,na,20,0.0,na,na,109.67,na,-1.14276,0.0,na,0.0,0.017,na,JVASP-6091,na,3.332,na,PBr3,8,Pmc2_1,OptB88vdW,26,na,4.35,na,-0.23708 +239.74333333333334,850,252.4,na,na,"{'p': [16.66, 6.28, 21175.28], 'n': [1.15, 4.16, 2483.16]}",SingleLayer,na,25,0.0,na,na,69.42,na,-3.13647,0.0,na,0.0,0.016,na,JVASP-6931,na,1.089,na,NbSe2Cl2,10,P-1,OptB88vdW,2,na,na,na,-0.88045 +437.3666666666666,900,369.4666666666667,1.2538,na,"{'p': [16.84, 16.84, 350196.62], 'n': [1.08, 1.08, 463627.86]}",SingleLayer,na,25,0.0,na,na,102.41,na,-1.70827,0.0,"[[52.975608968087386, 4.935933297423631, 49.603122854020455, 31.23256370008599, 24.784879838070864, 70.09482174642974], [36.70638020268268, 12.932776246116305, 61.01691438874601, 11.448096886613712, 28.644980793265105, 81.53657655627525], [32.163152579274296, 23.9782290217304, 68.29090860974314, 0.5896374795568562, 32.62868061215136, 50.58723753494874], [12.233836399827908, 27.815747545652727, 78.41065531191995, 2.9744032508177156, 45.72536809520899, 34.95688464338164], [1.3484636025665964, 31.77062095682252, 51.61424003472021, 4.171480135023586, 50.69496323380722, 30.516092775063598], [2.2181783641875796, 44.71979671295142, 35.71682506112603, 13.698951382616343, 62.43387519560821, 10.839022441409526]]",0.0,0.018,na,JVASP-27755,na,2.512,na,PbF4,5,P4/mmm,OptB88vdW,123,na,na,na,-1.79989 +379.46,1300,163.67666666666665,1.4532,na,"{'p': [1.57, 1.57, 220257.6], 'n': [0.81, 0.81, 72.51]}",SingleLayer,na,25,0.0,na,na,48.15,na,-5.79382,0.0,na,0.0,0.001,na,JVASP-27899,4.688,2.979,0.0,ZrP2H2O6,11,P-3m1,OptB88vdW,164,na,6.05,na,-2.17994 +326.31333333333333,750,-58.416666666666664,5.014,na,"{'p': [0.0, 0.0, 0.28], 'n': [0.0, 0.0, 0.28]}",SingleLayer,na,65,0.0,na,na,na,na,-3.23506,0.0,na,0.0,na,na,JVASP-27900,na,0.0,na,ErHCl,6,P-3m1,OptB88vdW,164,na,na,na,-1.44617 +326.71999999999997,900,276.50333333333333,na,na,"{'p': [1516.16, 9.68, 10847.82], 'n': [33.47, 1.64, 238.91]}",SingleLayer,na,25,0.0,na,na,68.52,na,-3.53368,0.0,na,0.0,0.009,na,JVASP-6256,na,1.665,na,NbS2Cl2,10,C2/m,OptB88vdW,12,na,na,na,-1.01701 +848.4933333333335,500,158.00333333333333,2.4738,na,"{'p': [0.53, 0.53, 413.63], 'n': [2.18, 2.18, 11740.75]}",SingleLayer,na,25,0.0,na,na,84.63,na,-0.23241,0.0,"[[21.0, 4.0, 0.2, 0.0, -0.0, -0.0], [4.0, 21.7, -0.0, 0.0, -0.0, -0.0], [0.5, -0.1, 0.1, 0.0, -0.0, -0.0], [0.0, 0.0, 0.0, 1.3, 0.0, 0.0], [-0.0, -0.0, -0.0, 0.0, 0.1, -0.0], [-0.0, -0.0, -0.0, 0.0, -0.0, 0.1]]",0.0,0.058,na,JVASP-27756,na,1.887,na,AuBr,4,Cmme,OptB88vdW,67,na,na,na,-0.00385 +54.78666666666666,700,230.58333333333334,2.402,na,"{'p': [2.29, 1.94, 786.52], 'n': [13.87, 31.94, 6592.23]}",SingleLayer,na,25,0.0,na,na,81.29,na,-1.66863,0.0,na,0.0,0.349,na,JVASP-6202,na,1.797,na,IrBr3,8,C2/m,OptB88vdW,12,na,na,na,-0.21395 +589.8066666666667,700,272.50333333333333,na,na,"{'p': [2.8, 0.89, 2471.06], 'n': [1.27, 1.85, 5226.46]}",SingleLayer,na,30,0.0,na,na,88.65,na,-0.96009,0.0,na,0.0,0.034,na,JVASP-6934,na,2.943,na,SbBr3,8,Pmn2_1,OptB88vdW,31,na,na,na,-0.50873 +895.0666666666666,850,294.2966666666667,2.2968,na,"{'p': [0.51, 0.51, 16945.38], 'n': [2.46, 2.46, 22451.93]}",SingleLayer,na,35,0.0,na,na,47.14,na,-4.39616,0.0,na,0.0,0.052,na,JVASP-6259,na,3.546,na,TmIO,6,P4/nmm,OptB88vdW,129,na,na,na,-2.87052 +345.47333333333336,900,-85.08333333333333,8.3811,na,"{'p': [0.0, 0.0, 0.68], 'n': [0.0, 0.0, 0.68]}",SingleLayer,na,35,0.0,na,na,52.19,na,-4.24367,0.0,na,0.0,0.02,na,JVASP-6349,na,0.0,na,ZrCl,4,P-3m1,OptB88vdW,164,na,na,na,-1.30735 +1233.4033333333334,700,155.75333333333333,na,na,"{'p': [0.36, 0.94, 397.87], 'n': [0.21, 0.69, 157.19]}",SingleLayer,na,40,0.0,na,na,80.39,na,-0.88732,0.0,na,0.001,0.033,na,JVASP-6262,na,2.264,na,GaTeCl,6,Pmn2_1,OptB88vdW,31,na,na,na,-0.63383 +188.99666666666667,700,185.78333333333333,1.9172,na,"{'p': [1.28, 1.11, 331963.43], 'n': [1.3, 0.73, 12797.04]}",SingleLayer,na,20,0.0,na,na,83.99,na,-3.24085,0.0,na,0.0,0.0,na,JVASP-6265,na,1.695,na,AlPS4,6,P222,OptB88vdW,16,na,na,na,-0.53734 +1.9166666666666667,650,-37.54666666666667,na,na,"{'p': [0.0, 0.0, 0.66], 'n': [0.0, 0.0, 0.66]}",SingleLayer,na,25,0.0,na,na,51.95,na,-3.24771,0.832,na,1.399,na,na,JVASP-6937,na,0.0,na,ScCl,4,P-3m1,OptB88vdW,164,na,na,na,-1.44839 +535.6066666666667,500,256.91,1.7606,na,"{'p': [1.65, 1.65, 333.2], 'n': [0.8, 0.8, 2046.37]}",SingleLayer,na,25,0.0,na,na,184.6,na,-0.52317,0.0,na,0.0,0.059,na,JVASP-6199,na,2.334,na,PI3,4,P31m,OptB88vdW,157,na,na,na,0.14704 +241.98666666666668,700,240.00333333333333,na,na,"{'p': [4.04, 3.81, 14804.89], 'n': [0.76, 0.78, 7954.18]}",SingleLayer,na,25,0.0,na,na,93.98,na,-2.85115,0.0,na,0.0,0.014,na,JVASP-6940,na,1.271,na,As4S3,14,P2_1/m,OptB88vdW,11,na,2.82,na,-0.01497 +26.856666666666666,500,6.32,17.864,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,85,0.0,na,na,92.34,na,-2.01251,0.0,na,0.0,0.978,na,JVASP-5911,na,0.0,na,SiTe2,3,P-3m1,OptB88vdW,164,na,na,na,0.18659 +1218.15,850,145.77333333333334,3.1234,na,"{'p': [0.1, 0.24, 392.85], 'n': [0.13, 0.2, 487.02]}",SingleLayer,na,60,0.0,na,na,139.05,na,-2.82145,0.0,na,0.0,0.034,na,JVASP-8942,na,0.425,na,Na2Pd3O4,9,Pmmm,OptB88vdW,47,na,na,na,-0.86617 +1597.1766666666665,650,119.54,2.0592,na,"{'p': [1.11, 0.5, 232.61], 'n': [0.39, 1.34, 302.21]}",SingleLayer,na,30,0.0,na,na,65.08,na,-3.71533,0.0,"[[65.8, 10.3, 0.3, 0.0, 0.0, 0.0], [10.3, 93.8, 0.4, 0.0, 0.0, 0.0], [0.9, 1.0, 0.5, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 6.4, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, -0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, -0.1]]",0.0,0.033,na,JVASP-6196,na,3.036,na,ErSCl,6,Pmmn,OptB88vdW,59,na,na,na,-2.23257 +20.650000000000002,950,202.51999999999998,na,na,"{'p': [3.9, 3.81, 5544.85], 'n': [57.44, 122.58, 26608.06]}",SingleLayer,na,30,0.0,na,na,69.52,na,-2.77592,11.2,na,12.0,na,na,JVASP-6943,na,1.692,na,CrCl3,8,C2/m,OptB88vdW,12,na,na,na,-1.08332 +na,750,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,75,0.0,na,na,na,na,-0.68419,1.8440000000000003,na,1.998,na,na,JVASP-8945,na,0.624,na,NiBr2,3,P-3m1,OptB88vdW,164,na,na,na,-0.29934 +853.29,500,299.41333333333336,6.328,na,"{'p': [0.82, 55.41, 63092.88], 'n': [0.43, 6.81, 452.71]}",SingleLayer,na,35,0.0,na,na,101.54,na,-0.83784,0.0,na,0.0,0.233,na,JVASP-6058,na,0.881,na,Te2Br,12,Pmn2_1,OptB88vdW,31,na,na,na,-0.06603 +832.5,500,290.3733333333333,7.38,na,"{'p': [4.27, 2.37, 1156.7], 'n': [0.52, 2.5, 121.7]}",SingleLayer,na,45,0.0,na,na,106.93,na,-0.61171,0.0,na,0.0,0.319,na,JVASP-6082,na,0.923,na,Te2I,12,Pmn2_1,OptB88vdW,31,na,na,na,0.05544 +224.9466666666667,900,225.17333333333332,2.6497,na,"{'p': [3.28, 3.28, 10247.04], 'n': [1.17, 1.17, 3820.28]}",SingleLayer,na,20,0.0,na,na,35.23,na,-6.74697,0.0,"[[166.0, 77.3, 0.4, 0.0, -0.1, -0.0], [77.3, 166.0, 0.4, -0.0, 0.1, 0.0], [1.2, 1.2, 1.0, -0.0, 0.0, 0.0], [0.0, -0.0, -0.0, 16.1, -0.0, -0.1], [-0.2, 0.2, 0.0, -0.0, 0.3, 0.0], [-0.0, 0.0, 0.0, -0.1, 0.0, 0.3]]",0.0,0.044,na,JVASP-27758,na,1.182,na,HfNCl,6,P-3m1,OptB88vdW,164,na,na,na,-1.98298 +72.18,900,303.52333333333337,2.0253,na,"{'p': [7.51, 8.09, 11809.02], 'n': [11.12, 19.0, 7382.7]}",SingleLayer,na,25,0.0,na,na,73.51,na,-2.07697,0.0,na,0.0,0.363,na,JVASP-6136,na,2.098,na,IrCl3,8,C2/m,OptB88vdW,12,na,na,na,-0.43884 +161.56666666666666,650,-2.4233333333333333,na,na,"{'p': [0.0, 0.0, 1.25], 'n': [0.0, 0.0, 1.25]}",SingleLayer,na,65,0.0,na,na,na,na,-2.05039,0.0,na,0.0,na,na,JVASP-6949,na,0.0,na,NaSn2S4,7,P-3m1,OptB88vdW,164,na,na,na,-0.59583 +325.58666666666664,850,11.570000000000002,na,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,60,0.0,na,na,na,na,-1.95494,0.0,na,0.0,na,na,JVASP-6952,na,0.0,na,LiSn2S2,5,P-3m1,OptB88vdW,164,na,na,na,-0.54678 +260.55,800,297.31666666666666,1.8909,na,"{'p': [3.89, 0.83, 15768.15], 'n': [0.38, 0.41, 3930.96]}",SingleLayer,na,25,0.0,na,na,40.04,na,-2.31126,0.0,na,0.001,0.003,na,JVASP-6193,na,2.704,na,InClO,6,Pmmn,OptB88vdW,59,na,na,na,-1.41598 +257.03333333333336,850,314.82,2.1703,na,"{'p': [2.38, 0.86, 9764.07], 'n': [0.36, 0.39, 3726.55]}",SingleLayer,na,30,0.0,na,na,41.81,na,-2.09863,0.0,"[[96.3, 31.3, 0.3, 0.0, 0.0, 0.0], [31.3, 86.4, 0.1, 0.0, 0.0, 0.0], [0.8, 0.3, 0.8, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 12.3, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.0,0.012,na,JVASP-8948,na,2.386,na,InBrO,6,Pmmn,OptB88vdW,59,na,na,na,-1.28489 +126.22333333333331,500,80.11333333333333,na,na,"{'p': [0.62, 0.46, 18.92], 'n': [0.2, 0.1, 1.55]}",SingleLayer,na,45,0.0,na,na,77.69,na,-0.60298,0.0,na,0.0,3.133,na,JVASP-6955,na,0.711,na,BiI,8,C2/m,OptB88vdW,12,na,na,na,-0.21665 +500.30333333333334,750,300.66,2.081,na,"{'p': [13.31, 3.79, 33390.08], 'n': [0.67, 1.13, 534.26]}",SingleLayer,na,25,0.0,na,na,110.68,na,-1.38754,0.0,na,0.0,0.052,na,JVASP-8951,na,1.528,na,KTlO,6,P2_1/m,OptB88vdW,11,na,na,na,-1.01376 +315.0,700,151.39333333333335,2.0778,na,"{'p': [0.96, 3.3, 28550.57], 'n': [0.74, 1.17, 43409.96]}",SingleLayer,na,25,0.0,na,na,82.4,na,-3.5514,0.0,na,0.0,0.0,na,JVASP-6190,na,2.104,na,BPS4,6,P222,OptB88vdW,16,na,na,na,-0.22929 +1583.2033333333331,600,53.48333333333334,2.607,na,"{'p': [0.55, 0.55, 514.84], 'n': [0.7, 0.7, 553.05]}",SingleLayer,na,30,0.0,na,na,88.81,na,-0.00573,0.0,na,0.0,0.079,na,JVASP-6187,na,1.747,na,AuI,4,Cmme,OptB88vdW,67,na,na,na,0.06584 +387.58666666666664,850,339.57,2.1597,na,"{'p': [4.03, 0.76, 499806.67], 'n': [2.19, 0.65, 7895.91]}",SingleLayer,na,25,0.0,na,na,39.95,na,-5.09709,0.0,na,0.0,0.003,na,JVASP-27759,na,3.237,na,ScBrO,6,Pmmn,OptB88vdW,59,na,na,na,-2.90983 +86.23,1000,291.7633333333333,na,na,"{'p': [3.63, 3.69, 2778.66], 'n': [13.53, 21.28, 1023.21]}",SingleLayer,na,55,0.0,na,na,71.89,na,-1.65186,0.0,na,0.0,0.06,na,JVASP-6148,na,1.728,na,RhCl3,8,C2/m,OptB88vdW,12,na,na,na,-0.58984 +183.27666666666667,500,33.376666666666665,na,na,"{'p': [0.0, 0.0, 0.02], 'n': [0.0, 0.0, 0.02]}",SingleLayer,na,40,0.0,na,na,75.93,na,-2.65951,1.6329999999999998,na,1.989,na,na,JVASP-6961,na,0.0,na,TiBr2,3,P-3m1,OptB88vdW,164,na,na,na,-1.03595 +127.78000000000002,900,115.68666666666667,6.2303,na,"{'p': [0.0, 0.0, 0.13], 'n': [0.0, 0.0, 0.12]}",SingleLayer,na,70,0.0,na,na,44.7,na,-5.06511,0.0,na,0.0,0.148,na,JVASP-6268,na,0.05,na,TiIN,6,Pmmn,OptB88vdW,59,na,na,na,-1.22137 +161.88666666666666,900,76.44,4.9311,na,"{'p': [0.22, 0.27, 57.12], 'n': [0.24, 0.37, 161.77]}",SingleLayer,na,35,0.0,na,na,41.27,na,-5.40456,0.0,na,0.0,0.005,na,JVASP-6184,na,0.624,na,TiBrN,6,Pmmn,OptB88vdW,59,na,na,na,-1.45615 +194.20666666666668,900,56.23,4.4356,na,"{'p': [0.23, 0.33, 346.49], 'n': [0.26, 0.45, 179.61]}",SingleLayer,na,35,0.0,na,na,39.4,na,-5.6541,0.0,na,0.002,0.0,na,JVASP-6181,na,0.616,na,TiNCl,6,Pmmn,OptB88vdW,59,na,na,na,-1.62416 +926.1999999999999,850,249.82000000000002,na,na,"{'p': [2.54, 1.51, 5358.42], 'n': [0.98, 4.75, 1667.73]}",SingleLayer,na,25,0.0,na,na,84.4,na,-0.87631,0.0,na,0.0,0.024,na,JVASP-6964,na,0.914,na,PdBr2,6,P2/c,OptB88vdW,13,na,na,na,-0.21288 +169.27,800,302.9666666666667,1.6205,na,"{'p': [3.21, 0.87, 634437.94], 'n': [1.07, 1.2, 53397.4]}",SingleLayer,na,30,0.0,na,na,36.37,na,-4.37619,0.0,na,0.0,0.0,na,JVASP-6271,na,4.712,na,AlClO,6,Pmmn,OptB88vdW,59,na,na,na,-2.51378 +214.81333333333336,850,249.09666666666666,na,na,"{'p': [110.61, 6.36, 498.41], 'n': [1640.69, 355.85, 7511.2]}",SingleLayer,na,30,0.0,na,na,na,na,-2.8917,0.0,na,0.0,0.007,na,JVASP-6967,na,1.483,na,MoS2Cl3,12,P-1,OptB88vdW,2,na,na,na,-0.66292 +na,650,na,24.7375,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,na,na,-1.98268,1.263,na,3.0,na,na,JVASP-8954,na,0.0,na,Ba2P2Cl,5,P-3m1,OptB88vdW,164,na,na,na,-0.50182 +99.7,1050,273.3933333333334,2.7371,na,"{'p': [2.72, 3.07, 599.91], 'n': [17.47, 24.9, 1314.75]}",SingleLayer,na,55,0.0,na,na,80.67,na,-1.24792,0.0,na,0.0,0.064,na,JVASP-6085,na,1.487,na,RhBr3,8,C2/m,OptB88vdW,12,na,na,na,-0.36935 +45.70000000000001,500,42.76666666666666,na,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,40,0.0,na,na,na,na,-1.64584,0.0,na,0.0,na,na,JVASP-6970,na,0.0,na,BiSe2,3,P-3m1,OptB88vdW,164,na,na,na,-0.01174 +86.21,600,251.71,7.5433,na,"{'p': [0.44, 0.44, 16.25], 'n': [0.12, 0.12, 4.31]}",SingleLayer,na,65,0.0,na,na,67.68,na,-1.7205,0.0,na,0.0,0.329,na,JVASP-6274,na,0.968,na,Bi2Te2S,5,P-3m1,OptB88vdW,164,na,na,na,-0.25445 +4.6066666666666665,500,-26.069999999999997,na,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,50,0.0,na,na,58.43,na,-2.08999,0.898,na,1.359,na,na,JVASP-6973,na,0.0,na,TbBr,4,P-3m1,OptB88vdW,164,na,na,na,-1.19478 +24.52666666666667,850,-17.21666666666667,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,388.01,na,-1.17004,2.532,na,3.996,na,na,JVASP-6412,na,0.231,na,Ge2S3I2,28,P-3,OptB88vdW,147,na,na,na,0.08551 +147.08,700,271.88000000000005,1.7275,na,"{'p': [1.93, 1.93, 575.84], 'n': [1.24, 1.24, 29524.84]}",SingleLayer,na,25,0.0,na,na,76.01,na,0.10906,0.0,"[[28.8, 10.2, 0.3, 0.0, 0.0, 0.0], [10.2, 28.8, 0.3, 0.0, -0.0, 0.0], [0.8, 0.8, 0.4, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 3.1, 0.0, 0.0], [0.0, -0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.0,0.006,na,JVASP-5887,na,2.564,na,CdBr2,3,P-3m1,OptB88vdW,164,na,na,na,-0.80912 +na,850,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,50,0.0,na,na,na,na,-8.0048,0.0,na,0.001,na,na,JVASP-5941,na,0.0,na,W2N,3,P-3m1,OptB88vdW,164,na,na,na,0.91141 +na,600,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,80,0.0,na,na,57.29,na,-1.51053,0.0,na,0.0,0.165,na,JVASP-8960,na,0.697,na,SnSb2Te4,7,P-3m1,OptB88vdW,164,na,na,na,-0.12489 +563.6833333333333,500,285.57666666666665,na,na,"{'p': [0.67, 0.67, 55.5], 'n': [0.49, 0.49, 6.3]}",SingleLayer,na,70,0.0,na,na,53.75,na,-1.32973,0.0,na,0.0,0.417,na,JVASP-6979,na,1.048,na,GeBi2Te4,7,P-3m1,OptB88vdW,164,na,na,na,-0.14086 +55.46,750,248.37,1.3191,na,"{'p': [5.33, 5.33, 5514075.49], 'n': [60.49, 60.49, 12949473.29]}",SingleLayer,na,15,0.0,na,na,47.73,na,-6.08397,0.0,"[[90.3, 48.5, -0.2, 0.0, 0.0, 0.0], [48.5, 90.3, -0.2, 0.0, -0.0, 0.0], [-0.5, -0.5, 20.1, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 7.8, 0.0, 0.0], [0.0, -0.0, 0.0, 0.0, 3.5, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 3.5]]",0.0,0.047,na,JVASP-6277,na,2.396,na,UO2F2,5,P6/mmm,OptB88vdW,191,na,na,na,-3.29007 +747.2933333333334,950,231.77666666666664,na,na,"{'p': [1.14, 1.53, 561409.69], 'n': [2.27, 0.5, 105807.01]}",SingleLayer,na,50,0.0,na,na,108.49,na,-4.31008,0.0,na,0.0,0.003,na,JVASP-6745,na,5.21,na,CBrN,3,Pmm2,OptB88vdW,25,na,7.25,na,0.61565 +676.86,500,173.39000000000001,10.0634,na,"{'p': [1.97, 1.97, 351.19], 'n': [1.17, 1.17, 6945.87]}",SingleLayer,na,20,0.0,na,na,82.29,na,-1.89797,4.579000000000001,na,4.997,na,na,JVASP-6031,na,1.044,na,MnI2,3,P-3m1,OptB88vdW,164,na,na,na,-0.30239 +234.08,650,275.29333333333335,na,na,"{'p': [4.69, 7.01, 108723.15], 'n': [1.57, 2.28, 38497.55]}",SingleLayer,na,20,0.0,na,na,195.64,na,-2.18253,0.0,na,0.0,0.012,na,JVASP-6748,na,2.466,na,BaBrCl,6,P2_1/m,OptB88vdW,11,na,6.35,na,-2.28452 +342.21333333333337,900,264.34,2.4056,na,"{'p': [1.37, 1.37, 9992.44], 'n': [0.61, 0.61, 15370.93]}",SingleLayer,na,20,0.0,na,na,122.63,na,-6.01351,0.0,"[[129.1, 30.0, 0.1, 0.0, 0.0, 0.0], [30.0, 129.1, 0.1, 0.0, 0.0, 0.0], [0.1, 0.1, 0.0, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 21.0, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.2, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.2]]",0.0,0.09,na,JVASP-8966,na,2.84,na,ThNCl,6,P4/nmm,OptB88vdW,129,na,na,na,-2.18375 +321.0233333333333,900,170.69333333333336,2.3743,na,"{'p': [0.46, 0.46, 5052.81], 'n': [0.67, 0.67, 19597.21]}",SingleLayer,na,25,0.0,na,na,72.05,na,-5.80507,0.0,na,0.0,0.096,na,JVASP-6280,na,2.806,na,ThBrN,6,P4/nmm,OptB88vdW,129,na,na,na,-2.05686 +336.69,900,251.78666666666666,2.7125,na,"{'p': [0.88, 0.88, 11592.83], 'n': [0.64, 0.64, 9891.69]}",SingleLayer,na,30,0.0,na,na,54.0,na,-5.51773,0.0,"[[125.2, 26.6, -0.0, 0.0, 0.0, 0.0], [26.6, 125.2, -0.0, 0.0, 0.0, 0.0], [-0.1, -0.1, -0.1, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 19.1, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.0,0.115,na,JVASP-6178,na,2.883,na,ThIN,6,P4/nmm,OptB88vdW,129,na,na,na,-1.87417 +220.21666666666667,500,329.65333333333336,2.0303,na,"{'p': [2.19, 2.6, 2724.98], 'n': [0.34, 0.36, 152.86]}",SingleLayer,na,30,0.0,na,na,105.43,na,-0.88844,0.0,na,0.0,0.064,na,JVASP-6751,na,2.913,na,PbBr2,3,P-3m1,OptB88vdW,164,na,na,na,-0.85327 +357.3133333333333,650,210.64333333333335,4.173,na,"{'p': [2.41, 2.65, 1224.53], 'n': [0.28, 1.69, 43.91]}",SingleLayer,na,30,0.0,na,na,138.27,na,-2.55899,0.0,na,0.0,0.033,na,JVASP-6523,na,1.321,na,Sb2S3,10,P2_1/m,OptB88vdW,11,na,na,na,-0.1996 +320.49,650,-11.200000000000001,na,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,50,0.0,na,na,66.7,na,-3.22177,0.0,na,0.0,1.003,na,JVASP-6754,na,0.0,na,TiCl2,3,P-3m1,OptB88vdW,164,na,na,na,-1.43513 +638.6066666666667,650,207.51,3.6493,na,"{'p': [1.78, 1.78, 20893.98], 'n': [0.51, 0.51, 7358.37]}",SingleLayer,na,25,0.0,na,na,76.99,na,-5.21029,0.0,"[[134.1, 34.4, 0.1, 0.0, 0.0, 0.0], [34.4, 134.1, 0.1, 0.0, 0.0, 0.0], [0.5, 0.5, 0.2, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 14.3, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.2, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.2]]",0.0,0.003,na,JVASP-664,na,1.658,na,MoS2,3,P-6m2,OptB88vdW,187,na,2.36,na,-0.88454 +703.0600000000001,650,254.42,9.2095,na,"{'p': [2.35, 2.35, 1172.44], 'n': [1.59, 1.59, 5519.07]}",SingleLayer,na,25,0.0,na,na,67.52,na,-2.9619,4.662999999999999,"[[29.9, 8.9, -2.1, 0.0, -0.0, 0.0], [8.9, 29.9, -2.1, 0.0, 0.0, 0.0], [-5.4, -5.4, -6.1, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 4.1, 0.0, -0.0], [-0.0, 0.0, 0.0, 0.0, 0.5, 0.0], [0.0, 0.0, 0.0, -0.0, 0.0, 0.5]]",5.0,na,na,JVASP-6064,na,1.659,na,MnCl2,3,P-3m1,OptB88vdW,164,na,na,na,-0.99393 +220.97333333333333,500,249.85000000000002,2.3138,na,"{'p': [1.58, 1.58, 43.31], 'n': [1.76, 1.76, 1802988.28]}",SingleLayer,na,30,0.0,na,na,84.26,na,0.63027,0.0,na,0.0,0.034,na,JVASP-6769,na,1.531,na,CdI2,3,P-3m1,OptB88vdW,164,na,na,na,-0.49723 +732.3333333333334,500,204.24,9.2043,na,"{'p': [1.96, 1.96, 404.0], 'n': [1.41, 1.41, 4391.99]}",SingleLayer,na,25,0.0,na,na,74.13,na,-2.48858,4.646,"[[30.6, 9.3, -0.6, 0.0, 0.0, 0.0], [9.3, 30.6, -0.6, 0.0, -0.0, 0.0], [-1.6, -1.6, -2.1, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 3.9, 0.0, 0.0], [0.0, -0.0, 0.0, 0.0, 0.3, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.3]]",5.0,na,na,JVASP-6067,na,1.464,na,MnBr2,3,P-3m1,OptB88vdW,164,na,na,na,-0.68369 +158.30333333333334,900,285.7366666666667,na,na,"{'p': [36.72, 4.24, 32432.66], 'n': [845.34, 1.77, 884214.39]}",SingleLayer,na,30,0.0,na,na,87.01,na,-0.65871,0.0,na,0.0,0.062,na,JVASP-6547,na,1.73,na,TeAuCl7,9,P1,OptB88vdW,1,na,na,na,-0.35797 +38.62666666666667,650,-62.24666666666667,na,na,"{'p': [0.08, 0.0, 0.17], 'n': [0.08, 0.0, 0.17]}",SingleLayer,na,25,0.0,na,na,na,na,-1.94342,0.0,na,0.0,na,na,JVASP-6775,na,0.039,na,P3Se4I2,18,P-1,OptB88vdW,2,na,na,na,0.105 +98.12333333333333,500,-18.9,26.8701,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,100,0.0,na,na,na,na,-3.7853,0.001,"[[74.1, 129.6, 0.7, 0.0, 0.0, 0.0], [129.6, 74.1, 0.7, 0.0, 0.0, 0.0], [2.0, 2.0, 2.3, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, -10.2, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.007,na,na,JVASP-6982,na,0.0,na,ScSi4,5,P6/mmm,OptB88vdW,191,na,na,na,0.24332 +133.03666666666666,850,209.38333333333333,na,na,"{'p': [9.62, 1.05, 1765.17], 'n': [1.67, 0.63, 615.01]}",SingleLayer,na,25,0.0,na,na,na,na,-3.60738,0.0,na,0.0,0.001,na,JVASP-6778,na,2.199,na,B2PCl2,20,Pc,OptB88vdW,7,na,na,na,-0.37871 +167.64666666666668,500,120.26333333333334,2.5339,na,"{'p': [0.35, 0.69, 390.06], 'n': [1.01, 1.28, 32666.16]}",SingleLayer,na,35,0.0,na,na,62.06,na,-2.73894,0.0,na,0.0,0.057,na,JVASP-6175,na,1.297,na,ErSeI,6,Pmmn,OptB88vdW,59,na,na,na,-1.65959 +1476.3633333333337,800,206.58666666666667,3.7837,na,"{'p': [1.32, 1.32, 1067.33], 'n': [0.45, 0.45, 200.44]}",SingleLayer,na,30,0.0,na,na,40.48,na,-4.68697,0.0,na,0.001,0.0,na,JVASP-6172,na,0.916,na,Sc2CCl2,5,P-3m1,OptB88vdW,164,na,na,na,-1.64186 +5.133333333333333,850,-37.443333333333335,2.9838,na,"{'p': [0.0, 0.0, 0.02], 'n': [0.0, 0.0, 0.02]}",SingleLayer,na,70,0.0,na,na,40.87,na,-4.91841,0.0,na,0.0,0.0,na,JVASP-6286,na,0.0,na,Sc2NCl2,5,P-3m1,OptB88vdW,164,na,na,na,-2.10661 +129.61333333333332,900,48.35333333333333,na,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,60,0.0,na,na,na,na,-2.02666,0.164,na,0.259,na,na,JVASP-6985,na,0.0,na,Ca2I2N,5,P-3m1,OptB88vdW,164,na,na,na,-1.05673 +599.6966666666666,1750,147.06,2.6826,na,"{'p': [0.78, 0.78, 6391.0], 'n': [1.46, 1.46, 19378.25]}",SingleLayer,na,30,0.0,na,na,na,na,-2.54133,0.417,"[[22.9, 14.8, -0.0, 0.0, 0.0, 0.0], [14.8, 22.9, -0.0, 0.0, 0.0, 0.0], [-0.0, -0.0, 0.2, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 1.6, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.995,na,na,JVASP-6556,na,0.605,na,LaBr2,3,P-6m2,OptB88vdW,187,na,na,na,-1.77938 +97.17333333333335,850,139.42333333333332,na,na,"{'p': [1.63, 681.69, 144413.61], 'n': [145.15, 2.39, 2217795.19]}",SingleLayer,na,35,0.0,na,na,142.13,na,-2.46246,0.0,na,0.0,0.1,na,JVASP-6394,na,1.302,na,TaI2Cl2,10,Pmmm,OptB88vdW,47,na,na,na,-0.79223 +921.1166666666667,500,200.43999999999997,3.1999,na,"{'p': [1.98, 2.55, 6148.94], 'n': [0.16, 0.6, 25.94]}",SingleLayer,na,40,0.0,na,na,61.0,na,-1.89373,0.0,na,0.0,0.085,na,JVASP-6391,na,1.998,na,Al3Te3I,14,P2_1/m,OptB88vdW,11,na,na,na,-0.47107 +4.683333333333333,500,-67.25666666666667,3.2441,na,"{'p': [0.0, 0.0, 0.32], 'n': [0.0, 0.0, 0.32]}",SingleLayer,na,80,0.0,na,na,98.6,na,-1.69838,0.0,na,0.0,0.035,na,JVASP-6424,na,0.0,na,NdI2,3,P4/mmm,OptB88vdW,123,na,na,na,-1.25591 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,122.46,na,-2.32066,0.0,na,0.0,0.02,na,JVASP-6781,na,1.125,na,P2Se5,7,Cm,OptB88vdW,8,na,na,na,0.13356 +158.78333333333333,650,181.66333333333333,na,na,"{'p': [5.0, 0.84, 9968.19], 'n': [0.54, 1.25, 940.42]}",SingleLayer,na,30,0.0,na,na,96.67,na,-2.85452,0.0,na,0.0,0.023,na,JVASP-6784,na,1.224,na,PSe,16,P2_1,OptB88vdW,4,na,na,na,0.05179 +172.33,650,-18.073333333333327,21.6771,na,"{'p': [0.0, 0.0, 0.48], 'n': [0.0, 0.0, 0.48]}",SingleLayer,na,25,0.0,na,na,54.98,na,-4.32981,2.007,na,2.047,na,na,JVASP-696,na,0.0,na,CrS2,3,C2/m,OptB88vdW,12,na,na,na,-0.53611 +134.29666666666665,500,-11.950000000000001,14.9804,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,70,0.0,na,na,78.34,na,-5.37605,0.0,na,0.0,0.196,na,JVASP-6442,na,0.0,na,Hf3Te2,5,P4/mmm,OptB88vdW,123,na,na,na,-0.51131 +171.70000000000002,600,146.19,2.179,na,"{'p': [1.16, 0.28, 377.11], 'n': [1.13, 1.3, 32757.74]}",SingleLayer,na,50,0.0,na,na,61.18,na,-3.47681,0.0,"[[58.8, 10.0, 0.2, 0.0, 0.0, 0.0], [10.0, 82.3, -0.0, 0.0, 0.0, 0.0], [0.6, -0.1, 0.4, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 5.9, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.0,0.032,na,JVASP-6169,na,2.014,na,DySBr,6,Pmmn,OptB88vdW,59,na,na,na,-2.05486 +1305.0266666666666,650,144.60999999999999,2.4336,na,"{'p': [0.34, 1.47, 868.82], 'n': [0.95, 1.01, 5790.63]}",SingleLayer,na,30,0.0,na,na,55.68,na,-3.15712,0.0,na,0.0,0.049,na,JVASP-6166,na,2.773,na,DySI,6,Pmmn,OptB88vdW,59,na,na,na,-1.83984 +157.37666666666667,900,257.1766666666667,na,na,"{'p': [10.1, 10.1, 52482.01], 'n': [5.15, 5.15, 9490.18]}",SingleLayer,na,25,0.0,na,na,72.98,na,-3.37598,0.0,na,0.0,0.023,na,JVASP-6382,na,0.754,na,Nb3TeCl7,11,P3m1,OptB88vdW,156,na,na,na,-1.1871 +111.09000000000002,650,271.5466666666667,3.3404,na,"{'p': [1.84, 1.84, 304.28], 'n': [0.22, 0.22, 62.98]}",SingleLayer,na,30,0.0,na,na,104.21,na,-1.34919,0.0,na,0.0,0.148,na,JVASP-6163,na,1.817,na,BiTeCl,3,P3m1,OptB88vdW,156,na,na,na,-0.50073 +123.32333333333332,700,154.64333333333335,na,na,"{'p': [4.31, 0.84, 3085.73], 'n': [2.58, 65.8, 98159.65]}",SingleLayer,na,30,0.0,na,na,115.68,na,-2.21735,0.0,na,0.0,0.052,na,JVASP-6790,na,2.026,na,SrThBr6,8,Pmm2,OptB88vdW,25,na,na,na,-1.83381 +885.3933333333334,850,238.90666666666667,na,na,"{'p': [66.15, 15.01, 138.95], 'n': [9.74, 0.59, 19.84]}",SingleLayer,na,55,0.0,na,na,66.31,na,-4.15572,0.0,na,0.001,0.123,na,JVASP-6160,na,0.96,na,TaI2O,8,P2/m,OptB88vdW,10,na,na,na,-1.3319 +59.72,600,262.1133333333333,na,na,"{'p': [11.21, 11.21, 16887.35], 'n': [7.1, 7.1, 11710.4]}",SingleLayer,na,30,0.0,na,na,87.81,na,-3.11328,0.0,na,0.0,0.024,na,JVASP-6793,na,0.806,na,Nb3SBr7,11,P3m1,OptB88vdW,156,na,na,na,-0.96289 +85.64666666666666,500,299.1333333333334,na,na,"{'p': [15.35, 15.35, 5638.63], 'n': [6.03, 6.03, 4686.83]}",SingleLayer,na,30,0.0,na,na,99.89,na,-2.76518,0.0,na,0.0,0.194,na,JVASP-6796,na,0.689,na,Ta3SeI7,11,P3m1,OptB88vdW,156,na,na,na,-0.42998 +90.03666666666668,500,307.24666666666667,na,na,"{'p': [18.48, 18.48, 6181.02], 'n': [5.52, 5.52, 3222.04]}",SingleLayer,na,30,0.0,na,na,94.75,na,-2.64545,0.0,na,0.0,0.212,na,JVASP-6799,na,0.659,na,Ta3TeI7,11,P3m1,OptB88vdW,156,na,1.37,na,-0.36818 +1.29,750,22.576666666666664,na,na,"{'p': [0.0, 0.0, 0.15], 'n': [0.0, 0.0, 0.15]}",SingleLayer,na,120,0.0,na,na,71.15,na,-3.13054,0.0,na,0.0,0.731,na,JVASP-6226,na,0.0,na,RuCl2O,4,Pmmm,OptB88vdW,47,na,na,na,-0.76489 +2.2133333333333334,750,13.703333333333333,2.1913,na,"{'p': [0.0, 0.0, 0.18], 'n': [0.0, 0.0, 0.18]}",SingleLayer,na,120,0.0,na,na,73.85,na,-3.5234,0.0,"[[68.5, 4.7, -0.4, 0.0, 0.0, 0.0], [4.7, 286.8, -0.1, 0.0, 0.0, 0.0], [-1.0, -0.3, -0.9, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 5.6, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.001,0.872,na,JVASP-6223,na,0.0,na,OsCl2O,4,Pmmm,OptB88vdW,47,na,na,na,-0.66894 +1765.763333333333,500,183.44999999999996,3.0658,na,"{'p': [0.33, 5.14, 639.84], 'n': [0.25, 26.55, 1291.29]}",SingleLayer,na,40,0.0,na,na,255.48,na,-1.12916,0.0,na,0.0,0.039,na,JVASP-8972,na,1.251,na,KAuSe2,4,P2/m,OptB88vdW,10,na,na,na,-0.36905 +na,700,na,17.3081,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,50,0.0,na,na,na,na,-0.26465,0.172,na,0.895,na,na,JVASP-8975,na,0.0,na,BaMgBi,6,P-3m1,OptB88vdW,164,na,na,na,-0.35079 +902.4733333333332,900,217.0,4.9091,na,"{'p': [0.99, 4.59, 1991.16], 'n': [2.47, 0.61, 791.73]}",SingleLayer,na,35,0.0,na,na,na,na,-2.95379,0.0,na,0.0,0.035,na,JVASP-6292,na,1.079,na,PPdSe,12,P2/c,OptB88vdW,13,na,na,na,-0.27761 +1006.44,850,246.96,2.2827,na,"{'p': [0.69, 0.69, 1169.99], 'n': [1.62, 1.62, 23847.24]}",SingleLayer,na,30,0.0,na,na,51.83,na,-4.45444,0.0,"[[98.4, 18.3, -0.2, 0.0, 0.0, 0.0], [18.3, 98.4, -0.2, 0.0, 0.0, 0.0], [-0.5, -0.5, -0.7, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 12.1, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.0,0.029,na,JVASP-6157,na,3.862,na,PrIO,6,P4/nmm,OptB88vdW,129,na,na,na,-2.77663 +612.6433333333333,500,335.9566666666667,2.6877,na,"{'p': [2238.99, 11.57, 27770.43], 'n': [2.24, 0.63, 20.83]}",SingleLayer,na,30,0.0,na,na,95.51,na,-0.31387,0.0,na,0.0,0.149,na,JVASP-6571,na,1.579,na,AlTeI7,9,P1,OptB88vdW,1,na,na,na,-0.26117 +211.87666666666667,700,285.7866666666667,2.2721,na,"{'p': [6082.7, 25.37, 68000.46], 'n': [256.9, 1.9, 2878.05]}",SingleLayer,na,25,0.0,na,na,89.92,na,-0.88213,0.0,na,0.0,0.028,na,JVASP-6574,na,1.331,na,AlSeBr7,9,P1,OptB88vdW,1,na,na,na,-0.51442 +481.6966666666667,900,331.24,1.6857,na,"{'p': [2253.2, 2.15, 20222.61], 'n': [39.82, 1.36, 353.85]}",SingleLayer,na,25,0.0,na,na,71.62,na,-3.37025,0.0,na,0.0,0.045,na,JVASP-6295,na,2.916,na,HfCl4,10,P2/c,OptB88vdW,13,na,na,na,-1.80512 +na,950,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,na,na,-3.17202,0.0,na,0.0,na,na,JVASP-6802,na,1.23,na,TaCl4,10,C2/m,OptB88vdW,12,na,na,na,-1.27836 +na,600,na,2.4767,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,107.36,na,-0.21192,0.0,"[[29.1, 8.6, -0.1, 0.0, -0.1, 0.0], [8.6, 29.1, -0.1, 0.0, 0.1, 0.0], [-0.2, -0.2, 0.2, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 3.6, 0.0, -0.1], [-0.2, 0.2, 0.0, 0.0, 0.2, 0.0], [0.0, 0.0, 0.0, -0.1, 0.0, 0.2]]",0.0,0.033,na,JVASP-8981,na,0.718,na,K4HgAs2,7,P-3m1,OptB88vdW,164,na,na,na,-0.35521 +553.2533333333332,500,192.84,3.0918,na,"{'p': [0.57, 28.88, 181.89], 'n': [0.76, 10.79, 283.46]}",SingleLayer,na,40,0.0,na,na,81.67,na,-2.03269,0.0,na,0.0,0.125,na,JVASP-6436,na,1.874,na,Al2Te3,20,P2_1/c,OptB88vdW,14,na,na,na,-0.40514 +645.6366666666667,850,299.58666666666664,na,na,"{'p': [1900767.21, 2.5, 5680474.41], 'n': [8569.35, 1.08, 25531.75]}",SingleLayer,na,20,0.0,na,na,57.82,na,-0.28668,0.0,na,0.0,0.001,na,JVASP-6154,na,2.624,na,ClF,4,P2_1,OptB88vdW,4,na,na,na,-0.31944 +232.13333333333335,850,215.00666666666666,1.5284,na,"{'p': [55.67, 26.63, 32983.24], 'n': [1.17, 1.5, 3171.79]}",SingleLayer,na,20,0.0,na,na,165.43,na,-2.93395,0.0,na,0.0,0.097,na,JVASP-8984,na,1.715,na,RbBiO2,8,P2/c,OptB88vdW,13,na,na,na,-1.34126 +629.3966666666666,500,347.00333333333333,na,na,"{'p': [598.58, 38.75, 7192.57], 'n': [2.48, 0.65, 23.08]}",SingleLayer,na,30,0.0,na,na,94.04,na,0.10376,0.0,na,0.0,0.166,na,JVASP-6577,na,1.609,na,GaTeI7,9,P1,OptB88vdW,1,na,na,na,-0.15834 +na,650,na,1.5772,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,na,na,-0.28949,0.0,na,0.0,0.001,na,JVASP-19998,na,3.892,na,CdCl2,3,P-3m1,OptB88vdW,164,na,na,na,-1.0446 +na,500,na,2.5345,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-0.39693,0.0,"[[15.3, 4.4, -0.1, 0.0, 0.0, 0.0], [4.4, 15.3, -0.1, -0.0, -0.0, -0.0], [-0.3, -0.3, -0.2, -0.0, -0.0, -0.0], [0.0, -0.0, -0.0, 2.0, 0.0, 0.0], [0.0, -0.0, -0.0, 0.0, 0.1, 0.0], [0.0, -0.0, -0.0, 0.0, 0.0, 0.1]]",0.0,0.065,na,JVASP-19999,na,1.598,na,PbI2,3,P-3m1,OptB88vdW,164,na,na,na,-0.57108 +285.04333333333335,500,34.97666666666667,8.4863,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,75,0.0,na,na,96.07,na,-4.20774,0.0,na,0.0,2.006,na,JVASP-27780,na,0.0,na,ZrTiSe4,6,P2/m,OptB88vdW,10,na,na,na,-1.16726 +na,1350,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,126.46,na,-2.98387,0.0,na,0.0,na,na,JVASP-27781,na,2.226,na,BaB2Se6,9,C2/m,OptB88vdW,12,na,na,na,-0.46141 +240.01666666666665,500,55.24,7.0736,na,"{'p': [0.0, 0.0, 0.49], 'n': [0.0, 0.0, 0.49]}",SingleLayer,na,25,0.0,na,na,83.19,na,-1.23265,3.717,"[[40.1, 11.5, -1.0, -0.0, -0.0, -0.0], [11.5, 40.1, -1.0, 0.0, 0.0, 0.0], [-2.7, -2.7, -4.0, 0.0, 0.0, 0.0], [-0.0, 0.0, 0.0, 5.2, -0.0, -0.0], [-0.0, 0.0, 0.0, -0.0, -0.2, -0.0], [-0.0, 0.0, 0.0, -0.0, -0.0, -0.2]]",3.999,na,na,JVASP-27782,na,0.0,na,FeI2,3,P-3m1,OptB88vdW,164,na,na,na,0.00629 +422.82333333333327,650,192.61333333333334,3.5302,na,"{'p': [0.51, 3.01, 2169.26], 'n': [0.41, 1.37, 15948.85]}",SingleLayer,na,30,0.0,na,na,55.49,na,-4.61415,0.0,na,0.0,0.003,na,JVASP-792,na,1.237,na,ZrS3,8,P2_1/m,OptB88vdW,11,na,na,na,-1.30165 +8.15,800,4.64,11.3001,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,70,0.0,na,na,na,na,-1.81104,0.0,"[[26.8, 23.1, -0.0, 0.0, 0.0, 0.0], [23.1, 26.8, -0.0, 0.0, 0.0, 0.0], [-0.1, -0.1, -0.3, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 0.7, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.2, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.2]]",0.001,na,na,JVASP-7057,na,0.0,na,BaLi2Si2,5,P-6m2,OptB88vdW,187,na,na,na,0.16134 +5.25,650,-27.150000000000002,na,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,70,0.0,na,na,96.63,na,-5.10423,0.0,na,0.0,0.045,na,JVASP-5947,na,0.0,na,NbS2,3,P-3m1,OptB88vdW,164,na,na,na,-0.99764 +na,500,na,10.225,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,50,0.0,na,na,72.31,na,-1.96691,0.0,na,0.0,0.057,na,JVASP-13509,na,0.845,na,Sb2TeSe2,5,P-3m1,OptB88vdW,164,na,na,na,-0.12595 +na,600,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,75,0.0,na,na,106.02,na,-3.26367,0.0,na,0.0,na,na,JVASP-13513,na,0.0,na,CoSe,4,P4/nmm,OptB88vdW,129,na,na,na,-0.15141 +3469.0033333333336,650,43.846666666666664,26.5268,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,100,0.0,na,na,na,na,-2.36419,0.0,na,0.0,na,na,JVASP-13514,na,0.082,na,ZrTe5,12,Pmmn,OptB88vdW,59,na,na,na,-0.39561 +na,1150,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-6.79817,9.724,na,10.0,na,na,JVASP-13521,na,0.0,na,PuIO,6,P4/nmm,OptB88vdW,129,na,na,na,-2.53424 +1152.5566666666666,650,241.7166666666667,na,na,"{'p': [0.9, 0.9, 214.14], 'n': [0.43, 0.43, 55689.2]}",SingleLayer,na,30,0.0,na,na,82.34,na,-2.2104,0.0,na,0.0,0.004,na,JVASP-759,na,1.554,na,SnS2,3,P-3m1,OptB88vdW,164,na,na,na,-0.35665 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,45,0.0,na,na,52.45,na,-2.8599,0.0,na,0.0,na,na,JVASP-13523,na,0.239,na,Y2GeI2,5,P-3m1,OptB88vdW,164,na,na,na,-1.26771 +171.08,850,305.4533333333333,1.856,na,"{'p': [0.72, 0.72, 1673.34], 'n': [1.08, 1.08, 33537.79]}",SingleLayer,na,30,0.0,na,na,55.35,na,-2.51322,0.0,"[[55.4, 3.1, -0.2, 0.0, -0.0, -0.0], [3.1, 55.4, -0.2, 0.0, -0.0, -0.0], [-0.6, -0.6, -0.4, 0.0, -0.0, -0.0], [0.0, 0.0, 0.0, 6.5, 0.0, 0.0], [-0.0, -0.0, -0.0, 0.0, -0.1, 0.0], [-0.0, -0.0, -0.0, 0.0, 0.0, -0.1]]",0.0,0.02,na,JVASP-13579,na,2.252,na,SrIF,6,P4/nmm,OptB88vdW,129,na,5.7,na,-2.97143 +na,500,na,7.0672,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,75,0.0,na,na,265.61,na,-0.93386,0.0,na,0.0,2.037,na,JVASP-20002,na,0.539,na,Bi,2,P-3m1,OptB88vdW,164,na,na,na,0.26561 +882.4766666666668,850,295.77333333333337,2.5608,na,"{'p': [2.3, 2.2, 613.83], 'n': [2.95, 2.71, 1428.4]}",SingleLayer,na,30,0.0,na,na,100.33,na,-2.94548,0.0,"[[79.9, 28.8, 0.3, 0.0, -0.0, -0.0], [28.8, 80.6, 0.8, -0.0, -0.1, 0.0], [0.9, 2.0, 1.4, -0.0, -0.1, 0.0], [0.0, -0.0, -0.0, 10.8, -0.0, -0.0], [-0.1, -0.2, -0.1, -0.0, -0.3, 0.0], [-0.0, 0.0, 0.0, -0.0, 0.0, 0.1]]",0.001,0.105,na,JVASP-28095,1.986,1.846,23.3,Pb2O3,10,P2_1/m,OptB88vdW,11,na,na,na,-0.88837 +392.6166666666666,500,237.85666666666665,2.2525,na,"{'p': [1.03, 1.89, 3441.58], 'n': [0.54, 0.28, 27.72]}",SingleLayer,na,30,0.0,na,na,85.36,na,-0.77623,0.0,na,0.0,0.078,na,JVASP-13525,na,3.052,na,CaPbI4,6,P2/m,OptB88vdW,10,na,na,na,-1.10211 +74.95666666666666,1150,26.576666666666668,13.5823,na,"{'p': [0.0, 0.0, 0.03], 'n': [0.0, 0.0, 0.03]}",SingleLayer,na,30,0.0,na,na,na,na,-4.29915,5.835999999999999,na,6.001,0.406,na,JVASP-28106,na,0.0,na,CoH2O2,5,C2/m,OptB88vdW,12,na,na,na,-0.77285 +340.81,600,183.64,1.8669,na,"{'p': [0.89, 1.06, 347.6], 'n': [1.46, 0.64, 6009.51]}",SingleLayer,na,25,0.0,na,na,96.58,na,0.97795,0.0,"[[387.1, 9.8, -0.0, 0.0, -0.0, 0.0], [9.8, 116.6, -0.3, 0.0, -0.0, 0.0], [-0.1, -0.8, -0.0, 0.0, -0.0, 0.0], [0.0, 0.0, 0.0, -20.5, -0.0, 0.0], [-0.0, -0.0, -0.0, -0.0, -46.6, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.001,0.108,na,JVASP-20004,na,1.877,na,HgI2,3,C2/m,OptB88vdW,12,na,na,na,-0.05516 +1546.8833333333332,650,241.01666666666665,na,na,"{'p': [1.44, 15.18, 50280.91], 'n': [0.11, 4.22, 517.11]}",SingleLayer,na,35,0.0,na,na,70.1,na,-4.09258,0.0,na,0.0,0.0,na,JVASP-5962,na,1.557,na,SiP2,12,Pmc2_1,OptB88vdW,26,na,na,na,-0.06209 +363.27,500,68.45666666666666,3.0519,na,"{'p': [3.31, 0.16, 306.66], 'n': [1.34, 0.19, 1565.19]}",SingleLayer,na,35,0.0,na,na,na,na,-3.84935,0.0,na,0.0,na,na,JVASP-9572,na,0.848,na,P,4,Pmna,OptB88vdW,53,na,na,na,0.11186 +368.91333333333324,500,68.31333333333333,3.0519,na,"{'p': [3.25, 0.16, 308.59], 'n': [1.31, 0.19, 1554.26]}",SingleLayer,na,35,0.0,na,na,111.62,na,-3.84934,0.0,na,0.0,na,na,JVASP-5983,na,0.848,na,P,4,Pmna,OptB88vdW,53,na,na,na,0.11186 +116.07,650,284.57,3.7225,na,"{'p': [0.7, 0.7, 106.62], 'n': [0.18, 0.18, 82.25]}",SingleLayer,na,35,0.0,na,na,37.07,na,-1.48032,0.0,na,0.0,0.004,na,JVASP-28112,1.004,0.494,31.93,CdInGaS4,7,P3m1,OptB88vdW,156,na,na,na,-0.58831 +277.40999999999997,800,-5.496666666666667,32.8228,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,65,0.0,na,na,102.66,na,-5.66659,0.642,"[[24.5, 81.2, -0.2, 0.0, 0.0, 0.0], [81.2, 24.5, -0.2, 0.0, 0.0, 0.0], [-0.5, -0.5, 1.2, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, -9.1, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, -1.6, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, -1.6]]",0.749,na,na,JVASP-783,na,0.0,na,WO2,3,P6/mmm,OptB88vdW,191,na,na,na,-0.2136 +942.2233333333334,900,232.75,4.4787,na,"{'p': [0.99, 3.28, 1730.47], 'n': [0.75, 0.96, 307.66]}",SingleLayer,na,35,0.0,na,na,79.81,na,-3.25847,0.0,na,0.0,0.026,na,JVASP-6331,na,1.242,na,PPdS,12,P2/c,OptB88vdW,13,na,na,na,-0.36508 +563.25,650,34.71666666666667,na,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,40,0.0,na,na,64.14,na,-4.69836,0.0,na,0.0,0.002,na,JVASP-7060,na,0.062,na,TiS2,3,P-3m1,OptB88vdW,164,na,na,na,-1.33089 +7.32,750,-29.69333333333333,4.4588,na,"{'p': [0.0, 0.0, 0.12], 'n': [0.0, 0.0, 0.12]}",SingleLayer,na,35,0.0,na,na,88.02,na,-4.16684,0.618,"[[9.1, 4.5, -0.0, 0.0, 0.0, 0.0], [4.5, 9.1, -0.0, 0.0, 0.0, 0.0], [-0.0, -0.0, -1.1, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 0.7, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, -6.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, -6.0]]",0.567,na,na,JVASP-765,na,0.0,na,TiO2,3,P6/mmm,OptB88vdW,191,na,na,na,-0.32956 +1794.9366666666667,650,-37.099999999999994,2.9383,na,"{'p': [0.21, 0.21, 36.23], 'n': [0.79, 0.79, 361.95]}",SingleLayer,na,30,0.0,na,na,28.71,na,-3.28614,0.0,na,0.0,0.03,na,JVASP-28115,2.228,1.892,18.11,TbH2Br,8,P-3m1,OptB88vdW,164,na,na,na,-1.1278 +na,850,na,1.4844,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,76.45,na,-3.83831,0.0,na,0.0,0.002,na,JVASP-750,na,2.214,na,SnO2,3,P-3m1,OptB88vdW,164,na,na,na,-1.51475 +na,500,na,22.5458,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,115,0.0,na,na,57.27,na,-2.41921,0.0,"[[120.9, 73.3, 0.4, 0.0, 0.0, 0.0], [73.3, 120.9, 0.4, 0.0, 0.0, 0.0], [1.3, 1.3, 1.2, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 21.0, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.4, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.4]]",0.0,0.443,na,JVASP-6121,na,0.0,na,NdTe3,8,P4/nmm,OptB88vdW,129,na,na,na,-0.96336 +197.41333333333333,900,215.15,3.9133,na,"{'p': [10.14, 10.14, 67476.42], 'n': [4.06, 4.06, 40054.02]}",SingleLayer,na,30,0.0,na,na,88.29,na,-2.35348,3.517999999999999,"[[30.6, 12.4, 3.7, 0.0, -0.0, -0.0], [12.4, 30.6, 3.7, 0.0, 0.0, 0.0], [10.4, 10.4, -0.6, 0.0, -0.0, -0.0], [0.0, 0.0, 0.0, 3.3, 0.0, -0.0], [-0.0, 0.0, -0.0, 0.0, -0.2, -0.0], [0.0, 0.0, -0.0, 0.0, 0.0, -0.2]]",3.997,0.01,na,JVASP-20035,na,0.764,na,Rb3Mo2Cl9,14,P-6m2,OptB88vdW,187,na,na,na,-1.39663 +108.03666666666665,1300,220.1833333333333,na,na,"{'p': [2573.31, 4530.27, 92080.54], 'n': [18.91, 32.52, 645.3]}",SingleLayer,na,20,0.0,na,na,82.79,na,-4.14907,0.0,na,0.0,0.0,na,JVASP-6448,na,2.067,na,S5N6,11,C2,OptB88vdW,5,na,na,na,0.73143 +386.49666666666667,500,18.33,17.8492,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,115,0.0,na,na,na,na,-1.49932,0.0,na,0.002,na,na,JVASP-19565,na,0.0,na,Ca2SiBr,8,P4/nmm,OptB88vdW,129,na,na,na,-0.77487 +683.9033333333333,800,337.6666666666667,1.0614,na,"{'p': [27.07, 7.38, 2578916.07], 'n': [22.12, 0.82, 39146.84]}",SingleLayer,na,25,0.0,na,na,213.56,na,0.8617,0.0,na,0.0,0.005,na,JVASP-20040,na,3.011,na,KrF2,3,Pmmm,OptB88vdW,47,na,na,na,0.08943 +103.02000000000002,500,-22.346666666666664,9.7299,na,"{'p': [0.0, 0.0, 0.02], 'n': [0.0, 0.0, 0.02]}",SingleLayer,na,80,0.0,na,na,86.87,na,-3.6085,0.0,na,0.0,0.173,na,JVASP-673,na,0.0,na,Te2Mo,6,P2_1/m,OptB88vdW,11,na,na,na,-0.14202 +560.2333333333332,1250,206.21,na,na,"{'p': [1.37, 46900.53, 1145646.97], 'n': [1.35, 732.75, 17873.24]}",SingleLayer,na,25,0.0,na,na,81.41,na,-4.33943,0.0,na,0.0,0.003,na,JVASP-6451,na,3.963,na,As2O3,10,P2_1,OptB88vdW,4,na,na,na,-1.18037 +404.9766666666667,850,287.81,1.3209,na,"{'p': [1660.92, 46.13, 39776817.15], 'n': [52.54, 1.13, 202061.58]}",SingleLayer,na,25,0.0,na,na,131.39,na,-0.88362,0.0,na,0.0,0.003,na,JVASP-13616,2.045,1.584,22.01,AsCl5,6,Pmm2,OptB88vdW,25,na,na,na,-0.25945 +na,600,na,4.352,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,100.5,na,-2.13441,0.0,na,0.0,0.334,na,JVASP-31357,na,0.0,na,Nb3I8,11,P3m1,OptB88vdW,156,na,na,na,-0.45017 +na,900,na,1.5704,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-0.99532,0.0,na,0.0,0.011,na,JVASP-20005,2.123,1.476,20.37,SbCl5,12,P2_1/m,OptB88vdW,11,na,na,na,-0.52818 +129.46333333333334,700,199.09666666666666,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,60,0.0,na,na,397.09,na,1.30923,0.0,na,0.0,na,na,JVASP-13581,na,1.406,na,HgBr,4,Pmmm,OptB88vdW,47,na,na,na,0.12996 +na,850,na,1.4259,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,na,na,-1.62771,0.0,"[[42.6, 10.7, 0.6, -0.0, -0.0, 0.0], [10.7, 42.6, 0.6, -0.0, 0.0, 0.0], [1.8, 1.8, 1.4, -0.0, 0.0, 0.0], [-0.0, -0.0, -0.0, 5.4, -0.0, -0.0], [-0.0, 0.0, 0.0, -0.0, 0.1, 0.0], [0.0, 0.0, 0.0, -0.0, 0.0, 0.1]]",0.0,0.0,na,JVASP-20007,6.854,4.245,0.0,MgCl2,3,P-3m1,OptB88vdW,164,na,na,na,-1.9175 +727.1866666666666,900,4.886666666666668,16.1409,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,75,0.0,na,na,na,na,-5.52085,0.0,na,0.0,na,na,JVASP-13586,na,0.0,na,MoN,4,P6/mmm,OptB88vdW,191,na,na,na,1.89558 +605.5533333333334,500,94.38333333333334,3.8502,na,"{'p': [3.28, 0.16, 37.79], 'n': [1.27, 0.19, 130.98]}",SingleLayer,na,35,0.0,na,na,na,na,-3.84945,0.0,na,0.0,na,na,JVASP-76290,na,0.848,na,P,4,Pmna,OptB88vdW,53,na,na,na,0.11176 +138.92333333333332,950,-5.873333333333334,19.7738,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,70,0.0,na,na,na,na,-3.86549,0.0,na,0.0,na,na,JVASP-14433,na,0.0,na,Zr2HBr2,10,P2_1/m,OptB88vdW,11,na,na,na,-0.92998 +1418.676666666667,500,208.54,4.1889,na,"{'p': [3.78, 2.44, 132.95], 'n': [0.67, 2.17, 17.78]}",SingleLayer,na,40,0.0,na,na,na,na,-3.6131,0.0,na,0.0,na,na,JVASP-76297,na,1.807,na,SiAs,12,C2/m,OptB88vdW,12,na,na,na,0.01444 +na,650,na,3.9381,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,na,na,-5.13666,0.0,"[[102.3, 39.2, -0.0, 0.0, -0.0, -0.0], [39.2, 102.3, -0.0, -0.0, 0.0, 0.0], [-0.0, -0.0, -0.1, 0.0, 0.0, -0.0], [0.0, -0.0, 0.0, 13.6, -0.0, 0.0], [-0.0, 0.0, 0.0, -0.0, 0.1, -0.0], [-0.0, 0.0, -0.0, 0.0, -0.0, 0.1]]",0.0,na,na,JVASP-76298,0.693,0.0,23.89,NbS2,3,P-6m2,OptB88vdW,187,na,na,na,-1.03008 +na,800,na,14.3444,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,95,0.0,na,na,na,na,-3.40867,0.0,na,0.0,na,na,JVASP-76299,na,0.0,na,FeSe,4,P4/nmm,OptB88vdW,129,na,na,na,-0.19775 +287.4033333333333,500,155.26666666666668,3.0904,na,"{'p': [6.37, 1.98, 258.28], 'n': [2.69, 3.16, 17.75]}",SingleLayer,na,30,0.0,na,na,na,na,-0.94178,0.0,na,0.0,na,na,JVASP-76306,2.454,1.715,13.54,InSe,4,P-1,OptB88vdW,2,na,na,na,-0.34293 +1898.4533333333336,500,43.28333333333334,3.6258,na,"{'p': [0.37, 0.37, 7.93], 'n': [0.37, 0.37, 210.8]}",SingleLayer,na,40,0.0,na,na,92.05,na,-4.95808,0.0,na,0.0,0.033,na,JVASP-729,na,0.693,na,HfSe2,3,P-3m1,OptB88vdW,164,na,na,na,-1.29097 +222.01999999999998,750,155.10666666666665,3.7949,na,"{'p': [0.58, 0.58, 47.17], 'n': [0.41, 0.41, 387.54]}",SingleLayer,na,45,0.0,na,na,110.65,na,-0.49144,0.0,na,0.0,0.027,na,JVASP-9002,na,0.766,na,KMgSb,6,P4/nmm,OptB88vdW,129,na,na,na,-0.56523 +261.0133333333334,1100,73.09,na,na,"{'p': [0.0, 0.0, 0.26], 'n': [0.0, 0.0, 0.26]}",SingleLayer,na,30,0.0,na,na,na,na,-1.23948,0.679,na,1.0,na,na,JVASP-7024,na,0.0,na,Na4LiN2,7,P6/mmm,OptB88vdW,191,na,na,na,0.31555 +1322.5033333333333,900,316.29,3.9604,na,"{'p': [3.35, 3.35, 8713.45], 'n': [1.27, 1.27, 9839.75]}",SingleLayer,na,25,0.0,na,na,57.78,na,-3.35963,0.0,na,0.0,0.005,na,JVASP-5935,na,1.253,na,NiO2,3,P-3m1,OptB88vdW,164,na,na,na,-0.76107 +294.57666666666665,850,224.21,1.3158,na,"{'p': [2.24, 2.69, 1806.63], 'n': [0.6, 1.75, 2589.93]}",SingleLayer,na,25,0.0,na,na,na,na,-2.05865,0.0,na,0.0,0.001,na,JVASP-19550,na,2.012,na,SiCl4,10,Pc,OptB88vdW,7,na,na,na,-1.1194 +306.4666666666667,600,114.44,1.7847,na,"{'p': [0.95, 3.19, 26860.77], 'n': [0.37, 0.54, 327.01]}",SingleLayer,na,25,0.0,na,na,338.35,na,-0.8338,0.0,na,0.001,0.058,na,JVASP-6343,na,1.895,na,KAuSe,6,Pmma,OptB88vdW,51,na,na,na,-0.43746 +658.2266666666666,650,300.72666666666663,na,na,"{'p': [3.36, 3.36, 12123.16], 'n': [0.23, 0.23, 13208.92]}",SingleLayer,na,30,0.0,na,na,57.08,na,-1.60418,0.0,na,0.0,0.001,na,JVASP-7054,na,2.308,na,GaS,4,P-3m1,OptB88vdW,164,na,na,na,-0.64539 +na,500,na,13.5691,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,70,0.0,na,na,na,na,-1.10271,0.0,na,0.0,na,na,JVASP-9071,na,0.0,na,Ba2AgP,4,P3m1,OptB88vdW,156,na,na,na,-0.36497 +501.04,700,158.11,4.2999,na,"{'p': [2.97, 0.07, 280.94], 'n': [3.62, 0.07, 343.54]}",SingleLayer,na,35,0.0,na,na,54.49,na,-4.1932,0.0,na,0.0,0.002,na,JVASP-6151,na,0.337,na,TiS3,8,P2_1/m,OptB88vdW,11,na,na,na,-1.04184 +579.13,850,230.20000000000002,1.7462,na,"{'p': [7.33, 0.6, 3299.52], 'n': [1.05, 2.11, 7002.3]}",SingleLayer,na,30,0.0,na,na,81.4,na,-2.85551,0.0,"[[55.4, 18.3, -0.1, -0.0, -0.0, -0.0], [18.3, 50.1, -0.1, -0.0, 0.0, 0.0], [-0.2, -0.2, -0.2, -0.0, -0.0, -0.0], [-0.0, -0.0, -0.0, 6.1, 0.0, 0.0], [-0.0, 0.0, -0.0, 0.0, 0.1, -0.0], [-0.0, 0.0, -0.0, 0.0, -0.0, 0.1]]",0.0,0.028,na,JVASP-19551,na,3.931,na,DyCl3,8,Pmmn,OptB88vdW,59,na,na,na,-2.28777 +273.49,900,337.8333333333333,na,na,"{'p': [2.12, 3.77, 138885.07], 'n': [1.52, 1.9, 7230.15]}",SingleLayer,na,25,0.0,na,na,66.56,na,-1.23984,0.0,na,0.0,0.046,na,JVASP-6076,na,1.939,na,TlF,8,Pbcm,OptB88vdW,57,na,4.59,na,-1.76553 +227.95000000000002,750,234.1533333333333,1.6967,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,173.32,na,-0.69063,0.0,na,0.0,0.026,na,JVASP-19552,na,1.672,na,Br2O,6,P2_1,OptB88vdW,4,na,na,na,0.30341 +760.42,700,266.47333333333336,na,na,"{'p': [3.91, 1.22, 2374.5], 'n': [1.03, 0.62, 314.07]}",SingleLayer,na,30,0.0,na,na,86.24,na,-3.24323,0.0,na,0.0,0.001,na,JVASP-7027,na,2.433,na,P4S5,9,Pm,OptB88vdW,6,na,na,na,-0.09211 +na,950,na,16.8453,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,60,0.0,na,na,na,na,-4.76717,0.0,na,0.0,na,na,JVASP-76313,0.0,0.0,na,YCI,6,C2/m,OptB88vdW,12,na,na,na,-0.94203 +na,900,na,9.6112,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-2.96373,1.702,na,2.0,na,na,JVASP-76536,na,0.0,na,TiCl3,8,C2/m,OptB88vdW,12,na,na,na,-1.5908 +854.0066666666667,600,42.82333333333333,na,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,80,0.0,na,na,na,na,-0.08609,0.0,na,0.0,na,na,JVASP-6835,na,0.0,na,Tl2AgTe2,5,P-4m2,OptB88vdW,115,na,na,na,-0.01414 +7.413333333333333,800,-30.86666666666667,19.0924,na,"{'p': [0.0, 0.0, 0.91], 'n': [0.0, 0.0, 0.91]}",SingleLayer,na,15,0.0,na,na,18.3,na,-3.52098,0.866,"[[51.1, 19.6, 0.2, -0.0, -0.1, 0.0], [19.6, 51.1, 0.2, 0.0, 0.1, -0.0], [0.4, 0.4, 0.5, -0.0, 0.0, 0.0], [-0.0, 0.0, -0.0, 6.0, 0.0, -0.1], [-0.4, 0.4, 0.0, 0.0, 0.3, -0.0], [0.0, -0.0, 0.0, -0.1, -0.0, 0.3]]",1.435,na,na,JVASP-27999,0.149,0.0,5.84,YCl,4,P-3m1,OptB88vdW,164,na,na,na,-1.51811 +128.53333333333333,500,8.793333333333333,78.136,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,125,0.0,na,na,na,na,-1.04373,0.0,na,0.0,na,na,JVASP-13564,na,0.0,na,TlSbSe4,6,Pmmm,OptB88vdW,47,na,na,na,0.40552 +316.19666666666666,850,300.79,1.8117,na,"{'p': [1.23, 1.23, 17702.24], 'n': [0.28, 0.28, 73.24]}",SingleLayer,na,30,0.0,na,na,499.83,na,-3.20935,0.0,"[[137.8, 61.3, 1.0, 0.0, 0.0, 0.0], [61.3, 137.8, 1.0, 0.0, 0.0, 0.0], [2.1, 2.1, 7.4, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 18.0, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.2, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.2]]",0.0,0.001,na,JVASP-6517,na,2.259,na,GaN,2,P-6m2,OptB88vdW,187,na,na,na,-0.07123 +456.3966666666666,800,-96.45666666666666,na,na,"{'p': [0.0, 0.0, 0.18], 'n': [0.0, 0.0, 0.18]}",SingleLayer,na,50,0.0,na,na,na,na,-3.84881,-0.004,na,0.005,na,na,JVASP-7036,na,0.0,na,LiTi2Se4,7,P-3m1,OptB88vdW,164,na,na,na,-1.20271 +241.18999999999997,950,296.4533333333333,1.1755,na,"{'p': [6.76, 3.61, 179802.89], 'n': [1.61, 0.94, 3258.19]}",SingleLayer,na,15,0.0,na,na,159.07,na,-4.78399,0.0,na,0.0,0.0,na,JVASP-19996,na,3.615,na,KCN,3,P1,OptB88vdW,1,na,6.67,na,-0.23144 +810.5533333333333,1350,67.36666666666667,16.9888,na,"{'p': [0.0, 0.0, 0.1], 'n': [0.0, 0.0, 0.1]}",SingleLayer,na,25,0.0,na,na,430.04,na,-4.41914,1.424,"[[100.4, 60.1, -0.0, 0.0, 0.0, -0.0], [60.1, 100.4, -0.0, 0.0, 0.0, -0.0], [-0.1, -0.1, -0.1, 0.0, -0.0, -0.0], [0.0, 0.0, 0.0, 26.4, 0.0, 0.0], [0.0, 0.0, -0.0, 0.0, 0.3, -0.0], [-0.0, -0.0, -0.0, 0.0, -0.0, 0.3]]",1.699,na,na,JVASP-13567,na,0.0,na,CeS,4,P4/nmm,OptB88vdW,129,na,na,na,-1.71651 +28.543333333333333,800,5.759999999999999,72.637,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,115,0.0,na,na,na,na,-3.05936,0.0,na,0.0,na,na,JVASP-13568,na,0.0,na,LiSi5Pd,7,P4mm,OptB88vdW,99,na,na,na,0.36715 +968.2433333333333,950,143.12666666666667,3.3891,na,"{'p': [0.74, 0.74, 65.65], 'n': [0.7, 0.7, 3875.67]}",SingleLayer,na,30,0.0,na,na,40.34,na,-6.07658,0.0,"[[176.4, 67.3, 0.3, 0.0, -0.0, 0.0], [67.3, 176.4, 0.3, 0.0, 0.0, -0.0], [0.7, 0.7, 0.8, 0.0, 0.0, -0.0], [0.0, 0.0, 0.0, 19.4, 0.0, -0.0], [-0.0, 0.0, 0.0, 0.0, 0.2, -0.0], [0.0, -0.0, -0.0, -0.0, -0.0, 0.2]]",0.0,0.068,na,JVASP-27774,na,1.03,na,HfIN,6,P-3m1,OptB88vdW,164,na,na,na,-1.49878 +199.26333333333335,1000,-5.416666666666667,10.7282,na,"{'p': [0.0, 0.0, 0.07], 'n': [0.0, 0.0, 0.07]}",SingleLayer,na,70,0.0,na,na,130.85,na,-1.70414,0.0,"[[64.4, 27.0, 9.4, 0.0, 0.0, -0.0], [27.0, 64.4, 9.4, 0.0, -0.0, 0.0], [26.8, 26.8, 8.9, 0.0, 0.0, -0.0], [0.0, 0.0, 0.0, 3.6, 0.0, 0.0], [0.0, -0.0, 0.0, 0.0, 0.3, -0.0], [-0.0, 0.0, -0.0, 0.0, -0.0, 0.3]]",0.001,0.226,na,JVASP-13634,na,0.0,na,NiSe,4,P4/nmm,OptB88vdW,129,na,na,na,-0.08834 +752.89,650,235.31666666666663,2.9643,na,"{'p': [2.56, 2.56, 4034.24], 'n': [1.21, 1.21, 26277.86]}",SingleLayer,na,25,0.0,na,na,45.27,na,-3.22884,0.0,na,0.0,0.034,na,JVASP-28000,2.871,2.679,6.14,SmSI,6,P-3m1,OptB88vdW,164,na,na,na,-1.85853 +128.44666666666666,1300,171.17333333333332,1.4575,na,"{'p': [1.15, 1.19, 8977.34], 'n': [9.33, 11.88, 27931.2]}",SingleLayer,na,25,0.0,na,na,na,na,-5.69957,0.0,na,0.0,0.0,na,JVASP-20011,na,3.179,na,HC2O2,10,Pm,OptB88vdW,6,na,na,na,-0.52087 +297.09666666666664,700,-55.35,4.6211,na,"{'p': [0.0, 0.0, 0.26], 'n': [0.0, 0.0, 0.26]}",SingleLayer,na,65,0.0,na,na,36.15,na,-3.19712,0.0,na,0.0,0.063,na,JVASP-13587,na,0.0,na,LuHCl,6,P-3m1,OptB88vdW,164,na,na,na,-1.41876 +1037.13,500,-22.743333333333336,7.6242,na,"{'p': [0.0, 0.0, 0.04], 'n': [0.0, 0.0, 0.04]}",SingleLayer,na,70,0.0,na,na,44.37,na,-2.01327,0.0,na,0.0,0.11,na,JVASP-14425,na,0.0,na,YGaI,6,P-3m1,OptB88vdW,164,na,na,na,-1.05938 +na,600,na,25.5838,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,90,0.0,na,na,317.55,na,-0.74548,0.0,na,0.0,0.503,na,JVASP-27775,na,0.0,na,Te2Au,3,P-3m1,OptB88vdW,164,na,na,na,0.25392 +289.21333333333337,700,-94.08,6.6874,na,"{'p': [0.0, 0.0, 0.33], 'n': [0.0, 0.0, 0.33]}",SingleLayer,na,60,0.0,na,na,34.81,na,-3.7535,0.0,"[[96.4, 30.8, 0.4, 0.0, -0.1, -0.0], [30.8, 96.4, 0.4, -0.0, 0.1, 0.0], [1.1, 1.1, 0.9, -0.0, 0.0, 0.0], [0.0, -0.0, -0.0, 11.8, -0.0, -0.1], [-0.3, 0.3, 0.0, -0.0, 0.3, 0.0], [-0.0, 0.0, 0.0, -0.1, 0.0, 0.3]]",0.0,0.001,na,JVASP-13588,na,0.0,na,ScHCl,6,P-3m1,OptB88vdW,164,na,na,na,-1.41346 +842.5333333333333,900,178.26,2.75,na,"{'p': [1.83, 1.83, 56129.1], 'n': [0.57, 0.57, 2693.95]}",SingleLayer,na,20,0.0,na,na,34.44,na,-6.1936,0.0,"[[152.0, 65.0, 0.4, -0.0, -0.1, -0.0], [65.0, 152.0, 0.4, 0.0, 0.1, -0.0], [1.3, 1.3, 0.3, 0.0, 0.0, -0.0], [-0.0, 0.0, 0.0, 15.0, 0.0, -0.1], [-0.2, 0.2, 0.0, 0.0, 0.3, -0.0], [-0.0, -0.0, -0.0, -0.1, -0.0, 0.3]]",0.0,0.002,na,JVASP-27777,na,1.913,na,ZrNCl,6,P-3m1,OptB88vdW,164,na,na,na,-1.94882 +0.07333333333333333,500,-0.6533333333333333,11.7614,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,55,0.0,na,na,250.89,na,-1.92189,0.0,na,0.0,1.148,na,JVASP-27778,na,0.0,na,Bi2Pt,3,P-3m1,OptB88vdW,164,na,na,na,0.04237 +241.70333333333335,600,283.40000000000003,2.125,na,"{'p': [0.71, 0.71, 2168.39], 'n': [0.98, 0.98, 42021.39]}",SingleLayer,na,30,0.0,na,na,48.83,na,-1.9862,0.0,na,0.0,0.018,na,JVASP-13589,na,3.623,na,CaHI,6,P4/nmm,OptB88vdW,129,na,na,na,-1.18105 +272.4266666666667,600,222.92,1.8968,na,"{'p': [3.69, 3.69, 32781.38], 'n': [1.33, 1.33, 4072724.68]}",SingleLayer,na,25,0.0,na,na,50.29,na,-2.32855,0.0,na,0.0,0.003,na,JVASP-13590,na,1.944,na,CaHBr,6,P4/nmm,OptB88vdW,129,na,na,na,-1.41875 +14.590000000000002,850,-9.520000000000001,6.1641,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,55,0.0,na,na,46.24,na,-3.363,2.045,na,2.077,na,na,JVASP-20012,na,0.0,na,Sr2CoBr2O2,7,P4/mmm,OptB88vdW,123,na,na,na,-2.06845 +216.54666666666665,650,215.36333333333332,2.2965,na,"{'p': [2.97, 7.09, 4533.15], 'n': [7.72, 9.17, 6310.87]}",SingleLayer,na,30,0.0,na,na,102.78,na,-1.5893,0.0,na,0.0,0.032,na,JVASP-31361,na,1.46,na,PdSe6Cl2,9,P-1,OptB88vdW,2,na,na,na,-0.07952 +na,600,na,2.0545,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,92.27,na,-2.02906,0.0,na,0.0,0.06,na,JVASP-14427,na,2.898,na,YI3,8,P-31m,OptB88vdW,162,na,na,na,-1.38067 +366.45,850,-19.599999999999998,27.4388,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,85,0.0,na,na,51.92,na,-6.41943,0.0,"[[0.0, 0.8735290000000051, 0.835620000000006, 0.5992370000000022, 0.6371460000000013, 0.4727660000000071], [0.0, 0.03790899999999909, 0.8735290000000051, 0.40076299999999776, 0.27429200000000276, 0.23638300000000356], [0.0, 0.0, 0.0, 0.31808200000000353, 0.31808200000000353, 0.31808200000000353], [0.4727660000000071, 0.5992370000000022, 0.6371460000000013, 0.8735290000000051, 0.835620000000006, 0.0], [0.27429200000000276, 0.23638300000000356, 0.40076299999999776, 0.8735290000000051, 0.0, 0.03790899999999909], [0.31808200000000353, 0.31808200000000353, 0.31808200000000353, 0.0, 0.0, 0.0]]",0.0,0.024,na,JVASP-13636,na,0.0,na,Nb2CS2,5,P-3m1,OptB88vdW,164,na,na,na,-0.88709 +na,500,na,18.4236,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,75,0.0,na,na,na,na,-1.52575,0.0,"[[88.0, 20.9, 0.6, -0.0, -0.1, 0.0], [20.9, 88.0, 0.6, 0.0, 0.1, -0.0], [1.9, 1.9, 1.0, 0.0, 0.0, -0.0], [-0.0, 0.0, 0.0, 10.4, 0.0, -0.1], [-0.2, 0.2, 0.0, 0.0, 0.2, -0.0], [0.0, -0.0, -0.0, -0.1, -0.0, 0.2]]",0.0,0.153,na,JVASP-31363,na,0.845,na,GeSb2Te4,7,P-3m1,OptB88vdW,164,na,na,na,-0.06704 +413.39333333333326,1150,122.98333333333335,1.3958,na,"{'p': [0.36, 1.93, 18569.46], 'n': [0.99, 0.78, 331934.91]}",SingleLayer,na,25,0.0,na,na,136.51,na,-3.25387,0.0,na,0.0,0.003,na,JVASP-19583,na,1.238,na,AgNO2,4,Pmm2,OptB88vdW,25,na,na,na,-0.02466 +359.92,500,234.75666666666666,10.7174,na,"{'p': [0.36, 0.36, 8.61], 'n': [0.13, 0.13, 6.72]}",SingleLayer,na,70,0.0,na,na,na,na,-1.83905,0.0,na,0.0,0.105,na,JVASP-31366,na,0.695,na,Sb2Te2Se,5,P-3m1,OptB88vdW,164,na,na,na,-0.12555 +na,500,na,2.7232,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-0.39712,0.0,"[[15.3, 4.4, -0.0, 0.0, 0.0, -0.0], [4.4, 15.3, -0.0, -0.0, -0.0, 0.0], [-0.1, -0.1, -0.1, 0.0, 0.0, -0.0], [0.0, -0.0, 0.0, 2.3, -0.0, 0.0], [0.0, -0.0, 0.0, -0.0, -0.1, 0.0], [-0.0, 0.0, -0.0, 0.0, 0.0, -0.1]]",0.0,na,na,JVASP-76548,3.003,2.652,4.56,PbI2,3,P-3m1,OptB88vdW,164,na,na,na,-0.57127 +333.0066666666667,850,255.41,2.9041,na,"{'p': [6.9, 12.98, 6636.19], 'n': [2.94, 13.61, 3281.82]}",SingleLayer,na,30,0.0,na,na,na,na,-2.28918,0.0,na,0.0,0.056,na,JVASP-6583,na,2.052,na,Sb4S5Cl2,22,P2_1/m,OptB88vdW,11,na,na,na,-0.34786 +na,1200,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,199.22,na,-3.84145,0.0,na,0.0,0.0,na,JVASP-8987,na,1.999,na,NaNO2,4,Pmm2,OptB88vdW,25,na,3.93,na,-0.75731 +na,500,na,14.8727,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,60,0.0,na,na,na,na,-0.8592,0.0,"[[36.6, 14.2, -1.7, 0.0, -0.2, 0.0], [14.2, 36.6, -1.7, 0.0, 0.2, 0.0], [-5.2, -5.2, -4.8, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 3.7, 0.0, -0.2], [-0.6, 0.6, 0.0, 0.0, -0.7, 0.0], [0.0, 0.0, 0.0, -0.2, 0.0, -0.7]]",0.0,na,na,JVASP-8990,na,0.0,na,Tl2BiSe2,5,P-3m1,OptB88vdW,164,na,na,na,-0.22036 +na,900,na,9.8836,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,25,0.0,na,na,na,na,-2.96246,1.704,na,2.0,na,na,JVASP-76318,na,0.0,na,TiCl3,8,P-31m,OptB88vdW,162,na,na,na,-1.58954 +264.49,800,266.58,4.9759,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-4.79731,0.0,na,0.0,na,na,JVASP-76549,na,1.277,na,Re3Se4Cl,16,P-1,OptB88vdW,2,na,na,na,-0.39053 +2993.64,500,126.92666666666666,5.9761,na,"{'p': [0.89, 0.89, 69.97], 'n': [0.37, 0.37, 316.86]}",SingleLayer,na,40,0.0,na,na,144.32,na,-2.20069,0.0,na,0.0,0.092,na,JVASP-747,na,0.729,na,Te2Pt,3,P-3m1,OptB88vdW,164,na,na,na,-0.22666 +239.57666666666668,700,309.9866666666667,1.5508,na,"{'p': [1.71, 1.71, 1950.05], 'n': [1.34, 1.34, 111751.77]}",SingleLayer,na,30,0.0,na,na,77.92,na,-0.47405,0.0,"[[30.3, -3.6, -0.0, 0.0, -0.0, 0.0], [-3.6, 30.3, -0.0, 0.0, -0.0, 0.0], [-0.1, -0.1, 0.5, 0.0, -0.0, 0.0], [0.0, 0.0, 0.0, 0.3, 0.0, 0.0], [-0.0, -0.0, -0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.0,0.001,na,JVASP-27773,na,2.106,na,ZnCl2,3,P-4m2,OptB88vdW,115,na,na,na,-1.08647 +592.4766666666667,650,22.803333333333338,6.7004,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,35,0.0,na,na,89.57,na,-4.69824,0.0,na,0.0,0.001,na,JVASP-774,na,0.05,na,TiS2,3,C2/m,OptB88vdW,12,na,na,na,-1.33077 +2556.8933333333334,500,92.54,10.3296,na,"{'p': [0.0, 0.0, 0.18], 'n': [0.0, 0.0, 0.18]}",SingleLayer,na,45,0.0,na,na,202.39,na,-1.65789,0.0,"[[40.9, 13.6, 0.1, 0.0, -0.0, 0.0], [13.6, 40.9, 0.1, 0.0, 0.0, 0.0], [0.2, 0.2, 0.0, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 4.5, 0.0, -0.0], [-0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, -0.0, 0.0, 0.1]]",0.0,0.098,na,JVASP-735,na,0.155,na,Te2Pd,3,P-3m1,OptB88vdW,164,na,na,na,-0.10983 +652.16,1000,201.8066666666667,1.9865,na,"{'p': [2.75, 1.28, 36665.65], 'n': [0.56, 8.32, 22446.93]}",SingleLayer,na,25,0.0,na,na,101.22,na,-2.7903,0.0,na,0.0,0.001,na,JVASP-6478,na,1.407,na,S3N2Cl2,7,P1,OptB88vdW,1,na,na,na,0.28057 +3.36,700,49.67000000000001,9.4178,na,"{'p': [0.0, 0.0, 0.06], 'n': [0.0, 0.0, 0.06]}",SingleLayer,na,70,0.0,na,na,85.46,na,-4.03257,0.0,na,0.0,0.075,na,JVASP-13628,na,0.0,na,FeS,4,P4/nmm,OptB88vdW,129,na,na,na,-0.49584 +na,500,na,18.048,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,50,0.0,na,na,71.72,na,-1.89886,0.0,na,0.0,0.141,na,JVASP-31420,na,0.747,na,Te3As2,5,P-3m1,OptB88vdW,164,na,na,na,0.06403 +1579.4933333333336,850,232.9333333333333,2.0446,na,"{'p': [2.01, 2.01, 1431.31], 'n': [0.78, 0.78, 11852.2]}",SingleLayer,na,30,0.0,na,na,56.61,na,-4.73423,0.0,na,0.0,0.018,na,JVASP-20033,na,4.77,na,SmBrO,6,P4/nmm,OptB88vdW,129,na,na,na,-3.02436 +195.84,500,278.8333333333333,4.2255,na,"{'p': [2.89, 2.89, 135.69], 'n': [1.62, 1.62, 3280.08]}",SingleLayer,na,35,0.0,na,na,81.65,na,-2.07023,0.0,na,0.0,0.099,na,JVASP-28065,1.976,1.087,23.5,AgBiP2Se6,10,P3,OptB88vdW,143,na,na,na,-0.08322 +117.75,500,-21.786666666666665,7.9236,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,95,0.0,na,na,199.72,na,-5.51149,0.0,"[[95.7, 70.9, 0.1, 0.0, 0.0, 0.0], [70.9, 95.7, 0.1, 0.0, 0.0, 0.0], [0.5, 0.5, 0.1, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 23.3, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.0,0.368,na,JVASP-786,na,0.0,na,ZrS,4,P4/nmm,OptB88vdW,129,na,na,na,-1.38954 +375.95666666666665,850,-19.776666666666667,na,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,85,0.0,na,na,51.87,na,-6.41942,0.0,na,0.0,0.711,na,JVASP-6526,na,0.0,na,Nb2CS2,5,P-3m1,OptB88vdW,164,na,na,na,-0.88708 +216.92333333333332,700,-81.49333333333334,9.9977,na,"{'p': [0.0, 0.0, 0.49], 'n': [0.0, 0.0, 0.49]}",SingleLayer,na,55,0.0,na,na,55.34,na,-3.8149,0.0,"[[84.7, 45.1, 0.2, -0.0, -0.1, 0.0], [45.1, 84.7, 0.2, 0.0, 0.1, -0.0], [0.7, 0.7, 1.0, 0.0, -0.0, -0.0], [-0.0, 0.0, 0.0, 6.8, 0.0, -0.1], [-0.4, 0.4, -0.0, 0.0, 0.3, -0.0], [0.0, -0.0, -0.0, -0.1, -0.0, 0.3]]",0.0,0.141,na,JVASP-31367,na,0.0,na,ZrBr,4,P-3m1,OptB88vdW,164,na,na,na,-1.00088 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,115,0.0,na,na,57.24,na,-2.35843,0.0,na,0.0,0.434,na,JVASP-6415,na,0.0,na,SmTe3,8,P4/nmm,OptB88vdW,129,na,na,na,-0.93917 +172.73000000000002,600,-54.04,31.667,na,"{'p': [0.0, 0.0, 0.04], 'n': [0.0, 0.0, 0.04]}",SingleLayer,na,60,0.0,na,na,69.04,na,-4.2768,3.776,na,3.967,na,na,JVASP-6130,na,0.0,na,USe3,8,P2_1/m,OptB88vdW,11,na,na,na,-0.90108 +1154.25,500,302.87333333333333,na,na,"{'p': [0.75, 0.75, 53.4], 'n': [0.3, 0.3, 5.98]}",SingleLayer,na,95,0.0,na,na,na,na,-1.32981,0.0,na,0.0,0.417,na,JVASP-6481,na,1.047,na,GeBi2Te4,7,P-3m1,OptB88vdW,164,na,na,na,-0.14094 +169.23333333333335,700,155.07666666666668,1.9072,na,"{'p': [6.19, 0.39, 2955.96], 'n': [1.38, 1.66, 66346.15]}",SingleLayer,na,30,0.0,na,na,87.72,na,-2.30563,0.0,na,0.0,0.024,na,JVASP-13598,na,1.45,na,SmBr3,8,Pmmn,OptB88vdW,59,na,na,na,-1.88157 +na,1300,na,3.0474,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,26.43,na,-2.67277,2.913,na,3.0,0.005,na,JVASP-27971,na,0.458,na,CoCl2O8,11,P-3,OptB88vdW,147,na,na,na,0.08166 +na,950,na,2.7389,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,65,0.0,na,na,70.36,na,-7.95793,0.0,na,0.0,0.761,na,JVASP-667,na,0.0,na,C,2,P6/mmm,OptB88vdW,191,na,0.63,na,0.07035 +452.59,800,296.2133333333333,25.1229,na,"{'p': [6.05, 6.05, 4982.68], 'n': [1.06, 1.06, 203.54]}",SingleLayer,na,30,0.0,na,na,na,na,-5.70299,2.924,na,3.0,na,na,JVASP-27978,na,0.906,na,MnO2,3,P-3m1,OptB88vdW,164,na,na,na,-1.68439 +77.35333333333334,1150,18.05666666666667,46.6079,na,"{'p': [0.0, 0.0, 0.18], 'n': [0.0, 0.0, 0.18]}",SingleLayer,na,30,0.0,na,na,59.93,na,-7.09272,9.745,na,10.0,na,na,JVASP-19545,na,0.0,na,PuBrO,6,P4/nmm,OptB88vdW,129,na,na,na,-2.72413 +878.8466666666668,800,257.45,2.2984,na,"{'p': [2.61, 2.61, 79472.98], 'n': [1.55, 1.55, 28306.62]}",SingleLayer,na,20,0.0,na,na,79.79,na,-3.80349,0.0,"[[143.6, 36.5, 0.3, 0.0, 0.0, 0.0], [36.5, 143.6, 0.3, 0.0, -0.0, 0.0], [1.0, 1.0, 0.7, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 17.6, 0.0, 0.0], [0.0, -0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.0,0.095,na,JVASP-5874,na,1.788,na,PtO2,3,P-3m1,OptB88vdW,164,na,na,na,-0.50037 +563.61,500,138.30333333333334,2.1357,na,"{'p': [1.62, 1.95, 3448.61], 'n': [1.31, 0.8, 784.67]}",SingleLayer,na,25,0.0,na,na,96.32,na,-0.98992,0.0,na,0.0,0.084,na,JVASP-13611,na,1.767,na,PI2,6,P-1,OptB88vdW,2,na,na,na,0.04595 +673.4533333333333,500,171.63,10.0815,na,"{'p': [1.86, 1.86, 330.97], 'n': [1.14, 1.14, 6885.33]}",SingleLayer,na,20,0.0,na,na,na,na,-1.89805,4.580000000000001,"[[27.6, 6.6, -6.4, 0.0, 0.0, -0.0], [6.6, 27.6, -6.4, 0.0, -0.0, -0.0], [-17.4, -17.4, -45.2, 0.0, 0.0, -0.0], [0.0, 0.0, 0.0, 3.9, 0.0, 0.0], [0.0, -0.0, 0.0, 0.0, 0.1, -0.0], [-0.0, -0.0, -0.0, 0.0, -0.0, 0.1]]",4.999,na,na,JVASP-20017,na,1.05,na,MnI2,3,P-3m1,OptB88vdW,164,na,na,na,-0.30247 +685.7833333333333,650,223.81000000000003,4.666,na,"{'p': [12.52, 0.91, 133.76], 'n': [1.88, 0.32, 9.32]}",SingleLayer,na,65,0.0,na,na,na,na,-0.46003,0.0,na,0.0,0.245,na,JVASP-27923,1.152,1.074,33.83,TeAuI,12,P2_1/c,OptB88vdW,14,na,na,na,-0.0076 +na,700,na,13.6809,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,90,0.0,na,na,89.43,na,-4.93542,0.0,na,0.0,0.976,na,JVASP-730,na,0.0,na,MoS2,3,R-3m,OptB88vdW,166,na,na,na,-0.60967 +8.05,650,-34.656666666666666,23.9401,na,"{'p': [0.0, 0.0, 0.04], 'n': [0.0, 0.0, 0.04]}",SingleLayer,na,30,0.0,na,na,54.81,na,-2.47475,0.97,"[[48.5, 21.5, -0.6, -0.0, 0.1, 0.0], [21.5, 48.5, -0.6, 0.0, -0.1, -0.0], [-1.6, -1.6, -1.8, -0.0, 0.0, 0.0], [-0.0, 0.0, -0.0, 5.1, 0.0, 0.1], [0.1, -0.1, 0.0, 0.0, 0.1, -0.0], [0.0, -0.0, 0.0, 0.1, -0.0, 0.1]]",1.439,na,na,JVASP-27926,na,0.0,na,TbCl,4,P-3m1,OptB88vdW,164,na,na,na,-1.45723 +268.52000000000004,500,-15.683333333333332,na,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,65,0.0,na,na,na,na,-3.11767,0.0,na,0.002,na,na,JVASP-7000,na,0.0,na,TiTe2,3,P-3m1,OptB88vdW,164,na,na,na,-0.60947 +85.3,850,-75.93666666666667,2.1912,na,"{'p': [0.0, 0.0, 41.29], 'n': [0.0, 0.0, 41.29]}",SingleLayer,na,15,0.0,na,na,45.28,na,-6.10987,0.9910000000000002,"[[0.0, 0.0, 5e-324, 5e-324, 1e-323, 1e-323], [0.0, 1e-323, 0.0, 1e-323, 0.0, 1e-323], [0.0, 0.0, 0.0, 0.0, 0.0, 0.0], [0.0, 0.0, 5e-324, 5e-324, 1e-323, 1e-323], [5e-324, 1.5e-323, 5e-324, 1.5e-323, 5e-324, 1.5e-323], [0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]",1.0,na,na,JVASP-27928,2.156,0.0,19.65,NpO2F2,5,P6/mmm,OptB88vdW,191,na,na,na,-3.10932 +108.81666666666666,650,38.39333333333334,12.7695,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,35,0.0,na,na,74.87,na,-2.82771,6.894000000000001,na,7.426,na,na,JVASP-27940,na,0.0,na,FePSe3,10,P-31m,OptB88vdW,162,na,na,na,-0.01053 +1.2566666666666666,500,21.09,3.3558,na,"{'p': [0.0, 0.0, 0.19], 'n': [0.0, 0.0, 0.19]}",SingleLayer,na,35,0.0,na,na,90.69,na,-4.94461,0.0,"[[99.2, 33.8, 0.2, 0.0, 0.0, 0.0], [33.8, 99.2, 0.2, 0.0, 0.0, 0.0], [0.5, 0.5, -0.0, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 11.5, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.2, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.2]]",0.0,0.055,na,JVASP-5980,na,0.0,na,TaSe2,3,P-6m2,OptB88vdW,187,na,na,na,-0.72995 +20.89,500,-15.483333333333334,24.409,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,100,0.0,na,na,52.12,na,-1.87904,0.0,na,0.0,0.689,na,JVASP-28071,0.0,0.0,na,ErTe3,8,Pmma,OptB88vdW,51,na,na,na,-0.51509 +na,700,na,4.3642,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,50,0.0,na,na,na,na,-3.00042,0.0,"[[113.7, 32.6, 0.9, 0.0, -0.0, 0.0], [32.6, 113.7, 0.9, 0.0, 0.0, 0.0], [3.0, 3.0, 3.1, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 12.3, 0.0, -0.0], [-0.0, 0.0, 0.0, 0.0, 1.8, 0.0], [0.0, 0.0, 0.0, -0.0, 0.0, 1.8]]",0.0,na,na,JVASP-9047,na,0.0,na,Na2NbS2,5,P-6m2,OptB88vdW,187,na,na,na,-0.91273 +842.0366666666665,1150,346.6566666666667,na,na,"{'p': [5.16, 40.71, 24082640.26], 'n': [0.99, 23.36, 3547313.62]}",SingleLayer,na,15,0.0,na,na,77.95,na,-2.80605,0.0,na,0.0,0.001,na,JVASP-6484,na,2.759,na,SNCl,9,Pm,OptB88vdW,6,na,na,na,0.35946 +na,650,na,4.5652,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,55,0.0,na,na,na,na,-2.84684,0.0,na,0.0,na,na,JVASP-9050,na,0.0,na,K2NbS2,5,P-6m2,OptB88vdW,187,na,na,na,-0.87583 +758.6966666666667,1200,185.27999999999997,2.3318,na,"{'p': [1.1, 0.91, 68124.59], 'n': [0.76, 0.55, 3359.18]}",SingleLayer,na,25,0.0,na,na,45.94,na,-6.43885,0.0,na,0.0,0.005,na,JVASP-31368,na,1.823,na,MoO3,8,P2_1/m,OptB88vdW,11,na,na,na,-2.04024 +na,750,na,5.5792,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,45,0.0,na,na,na,na,-2.52167,0.0,na,0.0,na,na,JVASP-9053,na,0.0,na,Na2NbSe2,5,P-6m2,OptB88vdW,187,na,na,na,-0.69462 +472.5133333333333,700,209.79999999999998,3.1173,na,"{'p': [1.81, 1.81, 231.58], 'n': [0.19, 0.19, 3308.15]}",SingleLayer,na,35,0.0,na,na,35.42,na,-2.55171,0.0,na,0.0,0.008,na,JVASP-7051,na,1.41,na,MgAl2Se4,7,P-3m1,OptB88vdW,164,na,na,na,-1.01341 +0.9633333333333333,500,-10.54,na,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,60,0.0,na,na,na,na,-2.97348,2.374000000000001,na,2.404,na,na,JVASP-7033,na,0.0,na,CrTe2,3,P-3m1,OptB88vdW,164,na,na,na,-0.03906 +168.39666666666668,750,173.74333333333334,na,na,"{'p': [0.39, 0.39, 38.77], 'n': [0.27, 0.27, 68.17]}",SingleLayer,na,45,0.0,na,na,124.8,na,-0.64092,0.0,na,0.0,0.002,na,JVASP-8999,na,0.569,na,NaZnP,6,P4/nmm,OptB88vdW,129,na,na,na,-0.33435 +0.8433333333333333,500,20.063333333333336,3.5382,na,"{'p': [0.0, 0.0, 0.11], 'n': [0.0, 0.0, 0.11]}",SingleLayer,na,35,0.0,na,na,91.53,na,-4.94455,0.0,"[[98.6, 33.3, -0.7, 0.0, 0.0, 0.0], [33.3, 98.6, -0.7, 0.0, 0.0, 0.0], [-1.9, -1.9, -2.9, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 12.3, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, 0.1]]",0.0,0.055,na,JVASP-5920,na,0.0,na,TaSe2,3,P-6m2,OptB88vdW,187,na,na,na,-0.72989 +na,850,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,75,0.0,na,na,na,na,-2.0906,0.0,na,0.0,na,na,JVASP-9041,na,0.0,na,Na2InO2,5,P-3m1,OptB88vdW,164,na,na,na,-1.3145 +na,500,na,6.6886,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,60,0.0,na,na,66.81,na,-1.92812,0.0,na,0.0,0.247,na,JVASP-31373,na,0.96,na,Bi2Se3,5,P-3m1,OptB88vdW,164,na,na,na,-0.33748 +798.96,900,193.47666666666666,2.8944,na,"{'p': [3.23, 3.23, 63034.85], 'n': [0.56, 0.56, 4227.89]}",SingleLayer,na,20,0.0,na,na,36.73,na,-5.93218,0.0,"[[156.3, 63.9, 0.4, 0.0, -0.0, -0.0], [63.9, 156.3, 0.4, 0.0, 0.0, 0.0], [1.3, 1.3, 1.2, 0.0, 0.0, -0.0], [0.0, 0.0, 0.0, 15.2, -0.0, -0.0], [-0.1, 0.1, 0.0, -0.0, 0.4, -0.0], [-0.0, 0.0, -0.0, -0.0, -0.0, 0.4]]",0.0,0.006,na,JVASP-31374,na,1.702,na,ZrBrN,6,P-3m1,OptB88vdW,164,na,na,na,-1.76893 +1595.22,1300,295.9033333333333,2.8558,na,"{'p': [0.64, 8.89, 916.43], 'n': [0.13, 0.35, 49.01]}",SingleLayer,na,40,0.0,na,na,52.17,na,-3.72986,0.0,na,0.001,0.278,na,JVASP-19549,3.449,2.468,1.48,LiBiO2,16,Pbcm,OptB88vdW,57,na,na,na,-1.59503 +197.5,1350,297.33666666666664,1.5766,na,"{'p': [2.83, 2.83, 75078.17], 'n': [1.35, 1.35, 2594.68]}",SingleLayer,na,20,0.0,na,na,15.7,na,-3.60119,0.0,na,0.0,0.0,na,JVASP-27982,na,5.951,na,ZnC2S2O6F6,17,P-3,OptB88vdW,147,na,na,na,-1.42328 +203.10000000000002,700,-76.78666666666668,10.9887,na,"{'p': [0.0, 0.0, 0.3], 'n': [0.0, 0.0, 0.3]}",SingleLayer,na,55,0.0,na,na,na,na,-3.81492,0.0,na,0.0,na,na,JVASP-27984,0.001,0.0,5.84,ZrBr,4,P-3m1,OptB88vdW,164,na,na,na,-1.0009 +480.8533333333333,1200,217.45333333333335,2.1019,na,"{'p': [5338.66, 0.93, 476297.27], 'n': [745.21, 39.02, 66430.45]}",SingleLayer,na,20,0.0,na,na,76.13,na,-3.33618,0.0,na,0.0,0.031,na,JVASP-31375,na,1.111,na,PdSeO3,10,P2_1/m,OptB88vdW,11,na,na,na,-0.59805 +484.01,750,239.95666666666668,4.3077,na,"{'p': [12.34, 8.31, 175.88], 'n': [7.94, 4.94, 118.4]}",SingleLayer,na,35,0.0,na,na,na,na,-5.30733,0.0,na,0.0,0.163,na,JVASP-6022,na,1.43,na,ReS2,12,P-1,OptB88vdW,2,na,na,na,-0.55899 +130.02,850,13.72,3.1818,na,"{'p': [0.0, 0.0, 0.08], 'n': [0.0, 0.0, 0.08]}",SingleLayer,na,70,0.0,na,na,122.81,na,-3.90291,0.0,na,0.0,0.033,na,JVASP-28077,na,0.0,na,Pr4C2Cl5,11,Pmmm,OptB88vdW,47,na,na,na,-1.56424 +738.93,900,308.39000000000004,2.6472,na,"{'p': [8.79, 8.79, 2836.05], 'n': [1.8, 1.8, 13545.09]}",SingleLayer,na,25,0.0,na,na,83.76,na,-2.90165,0.0,na,0.0,0.021,na,JVASP-27950,1.779,1.811,27.71,P2Pd3S8,13,P-3m1,OptB88vdW,164,na,na,na,-0.24053 +na,500,na,16.4595,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,120,0.0,na,na,na,na,-2.77115,0.0,na,0.0,na,na,JVASP-27952,na,0.0,na,PrTe2Se,8,P4/nmm,OptB88vdW,129,na,na,na,-1.13812 +109.00666666666667,750,42.74000000000001,2.4576,na,"{'p': [0.0, 0.0, 2.3], 'n': [0.0, 0.0, 2.3]}",SingleLayer,na,70,0.0,na,na,847.99,na,-1.62699,0.0,na,0.0,1.016,na,JVASP-27996,na,0.0,na,K2PdO2,5,Pmmm,OptB88vdW,47,na,na,na,-0.39364 +290.7033333333334,1150,267.89000000000004,5.0469,na,"{'p': [26.62, 76.73, 536.42], 'n': [24.08, 65.56, 458.09]}",SingleLayer,na,25,0.0,na,na,74.42,na,-4.72223,0.0,na,0.0,0.017,na,JVASP-6049,na,1.259,na,TcS2,12,P-1,OptB88vdW,2,na,na,na,-0.63147 +80.87666666666667,650,16.44333333333333,11.2393,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,50,0.0,na,na,86.28,na,-4.48145,0.3099999999999999,na,0.344,na,na,JVASP-5932,na,0.0,na,VS2,3,P-3m1,OptB88vdW,164,na,na,na,-0.87906 +41.43333333333333,600,11.299999999999999,22.71,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,100,0.0,na,na,96.14,na,-2.86967,0.0,na,0.0,0.791,na,JVASP-19992,na,0.0,na,TaTe5Pt,14,Pmma,OptB88vdW,51,na,na,na,-0.22601 +25.753333333333334,500,-26.16,9.6218,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,70,0.0,na,na,na,na,-2.05388,0.0,na,0.0,na,na,JVASP-19993,na,0.0,na,CaSi,4,Pmma,OptB88vdW,51,na,na,na,-0.25896 +na,500,na,6.8792,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,65,0.0,na,na,na,na,-1.84522,0.0,"[[-0.0, 1.212363542890671e-13, 2.4808994144809304e-05, 0.6666832059960561, 0.6666583970020326, 0.6666832059961774], [-0.0, 0.9999751910059764, 1.212363542890671e-13, 0.3333167940039439, 0.3333167940040651, 0.3333416029980887], [-0.0, 0.0, 0.0, 0.10929279291955729, 0.10929279291955729, 0.10929279291955729], [0.6666832059961774, 0.6666832059960561, 0.6666583970020326, 1.212363542890671e-13, 2.4808994144809304e-05, -1.3771758191379296e-21], [0.3333167940040651, 0.3333416029980887, 0.3333167940039439, 1.212363542890671e-13, 1.6940238664377429e-21, 0.9999751910059764], [0.10929279291955729, 0.10929279291955729, 0.10929279291955729, 0.0, 0.0, -0.0]]",0.0,na,na,JVASP-13562,na,0.0,na,K2YTe2,5,P-3m1,OptB88vdW,164,na,na,na,-1.07772 +120.60000000000001,1200,316.45666666666665,1.8273,na,"{'p': [2.79, 2.79, 1051622.13], 'n': [0.85, 0.85, 1466.16]}",SingleLayer,na,20,0.0,na,na,18.41,na,-4.09681,0.0,na,0.0,0.0,na,JVASP-27954,na,1.543,na,Mg5H2O6,13,P-3m1,OptB88vdW,164,na,na,na,-2.52568 +323.2366666666667,500,273.8066666666667,10.2111,na,"{'p': [1.17, 1.17, 190.85], 'n': [0.18, 0.18, 94.61]}",SingleLayer,na,40,0.0,na,na,38.56,na,-1.81635,0.0,"[[107.0, 29.5, 0.9, -0.0, -0.1, 0.0], [29.5, 107.0, 0.9, 0.0, 0.1, -0.0], [3.0, 3.0, 1.7, -0.0, 0.0, 0.0], [-0.0, 0.0, -0.0, 11.3, 0.0, -0.1], [-0.5, 0.5, 0.0, 0.0, 0.3, -0.0], [0.0, -0.0, 0.0, -0.1, -0.0, 0.3]]",0.0,0.381,na,JVASP-28080,1.064,0.931,32.37,Bi2Pb2Se5,9,P-3m1,OptB88vdW,164,na,na,na,-0.44765 +732.6766666666666,850,288.45666666666665,na,na,"{'p': [141743.18, 29.37, 2088523.93], 'n': [445.65, 0.54, 6554.08]}",SingleLayer,na,30,0.0,na,na,62.8,na,-4.12607,0.0,na,0.0,0.016,na,JVASP-31377,na,0.82,na,NbBr2O,8,Pmm2,OptB88vdW,25,na,na,na,-1.55213 +414.98333333333335,900,92.77,1.3978,na,"{'p': [0.58, 0.58, 4979.43], 'n': [0.61, 0.61, 1373.45]}",SingleLayer,na,20,0.0,na,na,71.34,na,-7.72355,0.0,na,0.0,0.0,na,JVASP-688,na,4.484,na,BN,2,P-6m2,OptB88vdW,187,na,5.75,na,-1.31306 +74.59333333333333,650,4.363333333333332,28.1351,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,45,0.0,na,na,80.88,na,-3.79639,0.0,na,0.002,1.13,na,JVASP-20053,0.0,0.0,na,NbCoTe2,16,Pmna,OptB88vdW,53,na,na,na,-0.26763 +22.763333333333335,650,-15.223333333333334,4.7929,na,"{'p': [0.0, 0.0, 0.02], 'n': [0.0, 0.0, 0.02]}",SingleLayer,na,75,0.0,na,na,62.39,na,-4.08248,0.0,"[[109.3, 56.4, 0.0, 0.0, -0.0, 0.0], [56.4, 109.3, 0.0, 0.0, -0.0, 0.0], [0.1, 0.1, 0.2, 0.0, -0.0, 0.0], [0.0, 0.0, 0.0, 28.1, 0.0, 0.0], [-0.0, -0.0, -0.0, 0.0, 0.1, -0.0], [0.0, 0.0, 0.0, 0.0, -0.0, 0.1]]",0.0,0.017,na,JVASP-19516,na,0.0,na,SmS,4,P4/nmm,OptB88vdW,129,na,na,na,-1.81363 +35.31333333333333,900,3.1566666666666663,8.6822,na,"{'p': [0.0, 0.0, 0.07], 'n': [0.0, 0.0, 0.07]}",SingleLayer,na,25,0.0,na,na,72.44,na,-2.96244,1.704,"[[32.7, 6.6, 0.0, -0.0, 0.0, 0.3], [6.6, 32.7, 0.0, 0.0, -0.0, -0.3], [0.1, 0.1, 0.2, 0.0, -0.0, -0.0], [-0.0, 0.0, 0.0, 4.9, -0.3, -0.0], [0.0, -0.0, -0.0, -0.3, -0.0, 0.0], [0.9, -0.9, -0.0, -0.0, 0.0, -0.0]]",2.0,na,na,JVASP-13632,na,0.0,na,TiCl3,8,P-31m,OptB88vdW,162,na,na,na,-1.58951 +1701.6366666666665,750,319.81666666666666,3.7357,na,"{'p': [1.84, 1.84, 283.05], 'n': [0.39, 0.39, 80.14]}",SingleLayer,na,35,0.0,na,na,42.1,na,-4.0317,0.0,"[[143.3, 30.9, -0.1, 0.0, -0.0, 0.0], [30.9, 143.3, -0.1, 0.0, 0.0, -0.0], [-0.4, -0.4, -0.8, 0.0, -0.0, -0.0], [0.0, 0.0, 0.0, 21.6, -0.0, -0.0], [-0.1, 0.1, -0.0, -0.0, 0.1, -0.0], [0.0, -0.0, -0.0, -0.0, -0.0, 0.1]]",0.0,0.041,na,JVASP-28089,na,1.135,na,Lu2CCl2,5,P-3m1,OptB88vdW,164,na,na,na,-1.66059 +177.4333333333333,850,28.386666666666667,16.961,na,"{'p': [0.0, 0.0, 0.02], 'n': [0.0, 0.0, 0.02]}",SingleLayer,na,40,0.0,na,na,38.76,na,-2.82717,1.346,na,1.525,na,na,JVASP-28093,na,0.0,na,YbBrO,6,P4/nmm,OptB88vdW,129,na,na,na,-2.14337 +341.0466666666667,1100,234.65333333333334,1.7283,na,"{'p': [2.46, 2.46, 11458.7], 'n': [0.87, 0.87, 2074.0]}",SingleLayer,na,20,0.0,na,na,26.39,na,-4.10749,0.0,na,0.0,0.0,na,JVASP-27955,na,2.023,na,Mg4H2O5,11,P-3m1,OptB88vdW,164,na,3.51,na,-2.43932 +267.05333333333334,600,225.80000000000004,2.0382,na,"{'p': [1.02, 1.02, 572.07], 'n': [0.47, 0.47, 4273.32]}",SingleLayer,na,35,0.0,na,na,88.71,na,0.2779,0.0,"[[18.2, 0.9, -0.1, 0.0, 0.0, -0.0], [0.9, 18.2, -0.1, 0.0, -0.0, 0.0], [-0.4, -0.4, -0.3, 0.0, -0.0, -0.0], [0.0, 0.0, 0.0, 0.3, 0.0, 0.0], [0.0, -0.0, -0.0, 0.0, 0.1, -0.0], [-0.0, 0.0, -0.0, 0.0, -0.0, 0.1]]",0.0,0.039,na,JVASP-14417,na,1.976,na,AgI,4,P4/nmm,OptB88vdW,129,na,na,na,-0.11567 +459.7966666666667,1150,218.0533333333333,1.6094,na,"{'p': [2.29, 2.29, 1503.63], 'n': [0.84, 0.84, 1301.87]}",SingleLayer,na,20,0.0,na,na,29.35,na,-4.12371,0.0,na,0.0,0.0,na,JVASP-27956,na,2.285,na,Mg3H2O4,9,P-3m1,OptB88vdW,164,na,3.9,na,-2.31536 +5975.846666666667,700,45.74333333333333,26.5044,na,"{'p': [0.0, 0.0, 0.03], 'n': [0.0, 0.0, 0.03]}",SingleLayer,na,90,0.0,na,na,57.38,na,-2.74637,0.0,na,0.001,2.425,na,JVASP-31378,na,0.155,na,SrSbSe2F,10,P4/nmm,OptB88vdW,129,na,na,na,-1.76659 +320.20666666666665,1050,234.01666666666668,1.4774,na,"{'p': [2.27, 2.27, 975.47], 'n': [1.27, 1.27, 400.59]}",SingleLayer,na,20,0.0,na,na,33.92,na,-4.15075,0.0,na,0.0,0.0,na,JVASP-27957,4.023,1.52,0.01,Mg2H2O3,7,P-3m1,OptB88vdW,164,na,3.99,na,-2.12214 +130.75333333333333,1050,41.303333333333335,15.701,na,"{'p': [0.0, 0.0, 0.04], 'n': [0.0, 0.0, 0.04]}",SingleLayer,na,30,0.0,na,na,1.66,na,-4.52121,1.808,na,1.869,na,na,JVASP-31379,na,0.0,na,CoO2,3,C2/m,OptB88vdW,12,na,na,na,-0.92501 +547.4933333333333,850,284.50333333333333,1.2992,na,"{'p': [3.51, 3.51, 1918.85], 'n': [0.9, 0.9, 649.57]}",SingleLayer,na,20,0.0,na,na,58.66,na,-4.21394,0.0,"[[75.9, 20.8, 0.4, -0.0, -0.0, 0.0], [20.8, 75.9, 0.4, 0.0, 0.0, -0.0], [0.9, 0.9, 0.8, -0.0, 0.0, 0.0], [-0.0, 0.0, -0.0, 11.5, 0.0, -0.0], [-0.0, 0.0, 0.0, 0.0, 0.2, -0.0], [0.0, -0.0, 0.0, -0.0, -0.0, 0.2]]",0.002,0.0,na,JVASP-27958,4.731,3.218,0.0,MgH2O2,5,P-3m1,OptB88vdW,164,na,4.78,na,-1.78884 +209.96666666666667,600,120.46666666666665,1.7145,na,"{'p': [0.86, 7.85, 54517.23], 'n': [0.35, 0.48, 308.91]}",SingleLayer,na,25,0.0,na,na,345.21,na,-0.83117,0.0,na,0.0,0.058,na,JVASP-6367,na,1.823,na,RbAuSe,6,Pmma,OptB88vdW,51,na,na,na,-0.43878 +1338.52,900,250.0,5.7129,na,"{'p': [1.01, 1.01, 1229.57], 'n': [0.69, 0.69, 473.1]}",SingleLayer,na,35,0.0,na,na,138.24,na,-1.89526,0.0,na,0.0,0.338,na,JVASP-6376,na,1.118,na,TlTe3Pt2,12,P-3m1,OptB88vdW,164,na,na,na,-0.26592 +3500.25,500,148.29333333333332,na,na,"{'p': [0.27, 0.06, 14.15], 'n': [0.27, 0.07, 13.92]}",SingleLayer,na,40,0.0,na,na,58.41,na,-4.1994,0.0,na,0.0,0.118,na,JVASP-5896,na,0.529,na,HfSe3,8,P2_1/m,OptB88vdW,11,na,na,na,-0.98621 +222.20333333333335,850,272.74666666666667,3.0507,na,"{'p': [1.51, 3.64, 2269.9], 'n': [1.16, 1.27, 1452.28]}",SingleLayer,na,35,0.0,na,na,133.73,na,-0.87339,0.0,na,0.0,0.268,na,JVASP-13602,na,1.316,na,PtI2,12,P2_1/c,OptB88vdW,14,na,na,na,0.0067 +96.12333333333333,950,245.88,na,na,"{'p': [111.55, 93.01, 165008.54], 'n': [2.96, 5.39, 5873.06]}",SingleLayer,na,25,0.0,na,na,74.08,na,-2.80215,0.0,na,0.0,0.011,na,JVASP-6823,na,1.071,na,NbCl4,10,C2/m,OptB88vdW,12,na,na,na,-1.23398 +1620.0266666666666,1250,250.88666666666668,1.6215,na,"{'p': [20.59, 0.41, 366.51], 'n': [2.4, 0.42, 1304.51]}",SingleLayer,na,30,0.0,na,na,93.94,na,-4.24552,0.0,na,0.0,0.011,na,JVASP-31418,na,3.63,na,SbAsO4,12,P2_1/m,OptB88vdW,11,na,na,na,-1.23536 +406.87999999999994,850,87.18,na,na,"{'p': [0.31, 0.31, 34.11], 'n': [0.21, 0.21, 20.17]}",SingleLayer,na,40,0.0,na,na,232.85,na,-2.2926,0.0,na,0.0,0.061,na,JVASP-9068,na,0.688,na,Ba4Sb2O,7,P4/mmm,OptB88vdW,123,na,na,na,-1.40749 +269.4433333333333,600,-12.13,19.8793,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,80,0.0,na,na,113.12,na,-3.30743,0.0,na,0.0,1.891,na,JVASP-31419,na,0.0,na,ZrTiTe4,6,P2/m,OptB88vdW,10,na,na,na,-0.69181 +1785.9066666666665,650,57.98,2.8354,na,"{'p': [0.41, 0.41, 12.63], 'n': [0.47, 0.47, 516.25]}",SingleLayer,na,35,0.0,na,na,86.83,na,-5.72001,0.0,na,0.0,0.024,na,JVASP-728,na,1.346,na,HfS2,3,P-3m1,OptB88vdW,164,na,na,na,-1.61848 +1358.4333333333334,500,217.51333333333332,5.4761,na,"{'p': [0.96, 0.96, 450.34], 'n': [0.38, 0.38, 153.22]}",SingleLayer,na,30,0.0,na,na,124.92,na,-1.77984,0.0,"[[37.0, 10.8, -0.2, 0.0, -0.0, 0.0], [10.8, 37.0, -0.2, 0.0, 0.0, 0.0], [-0.4, -0.4, -0.3, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 5.0, 0.0, -0.0], [-0.0, 0.0, 0.0, 0.0, 0.1, 0.0], [0.0, 0.0, 0.0, -0.0, 0.0, 0.1]]",0.0,0.1,na,JVASP-6427,na,1.135,na,TlPd2Se3,12,P-3m1,OptB88vdW,164,na,na,na,-0.25783 +181.01999999999998,600,200.82000000000002,5.6164,na,"{'p': [1.77, 1.8, 226.75], 'n': [3.28, 1.79, 753.01]}",SingleLayer,na,40,0.0,na,na,107.82,na,-2.6427,0.0,na,0.0,0.262,na,JVASP-6499,na,0.736,na,Nb2Te6I,18,P-1,OptB88vdW,2,na,na,na,-0.25545 +380.3766666666666,600,187.12666666666667,1.772,na,"{'p': [1.63, 4.87, 9460.18], 'n': [1.42, 7.6, 63376.5]}",SingleLayer,na,30,0.0,na,na,343.84,na,-1.10977,0.0,na,0.0,0.059,na,JVASP-6328,na,1.9,na,KAuS,6,Pmma,OptB88vdW,51,na,na,na,-0.49622 +584.92,700,237.93666666666664,3.3132,na,"{'p': [1.1, 0.88, 339.08], 'n': [3.17, 0.42, 796.74]}",SingleLayer,na,30,0.0,na,na,na,na,-0.79729,0.0,na,0.0,0.155,na,JVASP-19536,na,1.069,na,AuSeBr,12,Pmma,OptB88vdW,51,na,na,na,-0.02777 +1199.77,500,224.24666666666667,4.1138,na,"{'p': [0.61, 0.61, 34.3], 'n': [0.57, 0.57, 880.77]}",SingleLayer,na,40,0.0,na,na,81.93,na,-2.20173,0.0,na,0.0,0.093,na,JVASP-6313,na,1.522,na,AlSiTe3,10,P-31m,OptB88vdW,162,na,na,na,-0.18991 +1431.6966666666667,900,288.76000000000005,3.48,na,"{'p': [2.91, 2.91, 1321.22], 'n': [0.46, 0.46, 710.96]}",SingleLayer,na,30,0.0,na,na,106.05,na,-2.65265,0.0,na,0.0,0.31,na,JVASP-6358,na,1.648,na,TlPt2S3,12,P-3m1,OptB88vdW,164,na,na,na,-0.37885 +671.29,500,317.75,1.7732,na,"{'p': [8.42, 6.19, 3322.16], 'n': [1.13, 0.83, 119.53]}",SingleLayer,na,40,0.0,na,na,248.56,na,0.03986,0.0,na,0.0,0.111,na,JVASP-20022,na,1.903,na,RbI3,8,Pmc2_1,OptB88vdW,26,na,na,na,-0.59129 +328.53333333333336,650,143.9,na,na,"{'p': [0.56, 0.56, 315.66], 'n': [3.32, 3.32, 1907.83]}",SingleLayer,na,25,0.0,na,na,69.1,na,-2.17162,0.0,na,0.0,0.003,na,JVASP-7048,na,1.963,na,CdPS3,10,P-3,OptB88vdW,147,na,na,na,-0.38334 +901.9066666666668,900,216.84333333333333,4.9039,na,"{'p': [0.99, 4.55, 1972.29], 'n': [2.44, 0.61, 783.07]}",SingleLayer,na,35,0.0,na,na,83.19,na,-2.9538,0.0,na,0.0,0.035,na,JVASP-6316,na,1.079,na,PPdSe,12,P2/c,OptB88vdW,13,na,na,na,-0.27761 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,60,0.0,na,na,71.99,na,-1.71004,0.0,na,0.0,0.323,na,JVASP-6826,na,1.167,na,Bi2TeSe2,5,P-3m1,OptB88vdW,164,na,na,na,-0.24686 +239.97,1150,302.3733333333334,na,na,"{'p': [6.38, 3.42, 5836.88], 'n': [5.04, 2.52, 24734.65]}",SingleLayer,na,30,0.0,na,na,61.32,na,-2.99631,0.0,na,0.0,0.001,na,JVASP-6472,na,2.972,na,HS7N,18,Pmc2_1,OptB88vdW,26,na,na,na,0.09308 +566.7366666666667,800,137.92999999999998,na,na,"{'p': [22.4, 1.94, 99.47], 'n': [36.16, 3.75, 178.59]}",SingleLayer,na,55,0.0,na,na,na,na,-2.3421,0.0,na,0.0,0.029,na,JVASP-9008,na,2.179,na,BaSe,4,P2_1/m,OptB88vdW,11,na,na,na,-1.57887 +645.9133333333333,650,333.72333333333336,3.6128,na,"{'p': [2.39, 2.39, 2380.33], 'n': [1.04, 1.04, 107.91]}",SingleLayer,na,30,0.0,na,na,95.49,na,-3.15316,0.0,na,0.0,0.071,na,JVASP-741,na,1.626,na,PtS2,3,P-3m1,OptB88vdW,164,na,na,na,-0.31984 +64.39333333333333,650,18.653333333333336,na,na,"{'p': [0.0, 0.0, 1.65], 'n': [0.0, 0.0, 1.65]}",SingleLayer,na,40,0.0,na,na,na,na,-1.30438,0.0,na,0.0,na,na,JVASP-7030,na,0.014,na,K2SnS2,5,P3m1,OptB88vdW,156,na,na,na,-0.68507 +377.0466666666666,850,92.04666666666667,na,na,"{'p': [1.28, 0.22, 1347.31], 'n': [0.73, 0.35, 2271.96]}",SingleLayer,na,60,0.0,na,na,41.46,na,-4.5995,5.678000000000001,na,6.0,0.006,na,JVASP-6829,na,0.426,na,CrBrO,6,Pmmn,OptB88vdW,59,na,na,na,-1.44285 +192.43000000000004,750,35.94333333333333,4.2139,na,"{'p': [0.0, 0.0, 0.14], 'n': [0.0, 0.0, 0.14]}",SingleLayer,na,75,0.0,na,na,67.66,na,-3.58749,0.9210000000000002,na,0.999,na,na,JVASP-6832,na,0.0,na,VBr2O,4,Pmmm,OptB88vdW,47,na,na,na,-1.3917 +na,850,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,na,na,-4.65765,3.654,na,4.0,na,na,JVASP-6235,na,0.003,na,VBrO,6,Pmmn,OptB88vdW,59,na,na,na,-1.69231 +481.5633333333333,500,-8.569999999999999,8.0892,na,"{'p': [0.0, 0.0, 0.02], 'n': [0.0, 0.0, 0.02]}",SingleLayer,na,70,0.0,na,na,108.0,na,-3.97688,0.0,na,0.0,0.946,na,JVASP-705,na,0.0,na,HfTe2,3,P-3m1,OptB88vdW,164,na,na,na,-0.73463 +432.1166666666666,850,-18.263333333333332,31.8216,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,85,0.0,na,na,49.97,na,-7.14448,0.0,na,0.0,0.245,na,JVASP-6334,na,0.0,na,Ta2CS2,5,P-3m1,OptB88vdW,164,na,na,na,-0.96115 +181.6966666666667,500,243.98666666666668,na,na,"{'p': [0.09, 0.09, 4.87], 'n': [0.09, 0.09, 5.61]}",SingleLayer,na,50,0.0,na,na,250.82,na,-1.1962,0.0,na,0.0,1.018,na,JVASP-6994,na,0.383,na,Bi2Te3,5,P3m1,OptB88vdW,156,na,na,na,0.01206 +351.18666666666667,500,239.79666666666665,11.3838,na,"{'p': [0.37, 0.37, 6.41], 'n': [0.13, 0.13, 4.54]}",SingleLayer,na,70,0.0,na,na,71.8,na,-1.83909,0.0,"[[65.8, 15.7, 0.1, 0.0, 0.0, 0.0], [15.7, 65.8, 0.1, 0.0, -0.0, 0.0], [0.2, 0.2, 0.1, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 8.6, 0.0, 0.0], [0.1, -0.1, 0.0, 0.0, -0.1, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, -0.1]]",0.0,0.105,na,JVASP-8996,na,0.695,na,Sb2Te2Se,5,P-3m1,OptB88vdW,164,na,na,na,-0.12559 +693.8333333333334,500,110.80666666666667,25.374,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,87.05,na,-2.89169,5.662,na,5.998,na,na,JVASP-6319,na,0.558,na,CrSiTe3,10,P-31m,OptB88vdW,162,na,na,na,-0.0544 +456.42333333333335,700,176.11,2.372,na,"{'p': [1.87, 1.16, 41.38], 'n': [0.99, 0.95, 89.26]}",SingleLayer,na,40,0.0,na,na,66.08,na,-3.64798,0.0,na,0.0,0.083,na,JVASP-20041,na,2.318,na,LuPS4,24,P2_1/c,OptB88vdW,14,na,na,na,-1.02211 +1429.7266666666665,500,270.2,2.4526,na,"{'p': [2.62, 2.58, 281.76], 'n': [0.5, 0.52, 36.58]}",SingleLayer,na,50,0.0,na,na,254.94,na,0.43396,0.0,na,0.0,0.169,na,JVASP-20023,na,1.831,na,TlI3,8,Pbam,OptB88vdW,55,na,na,na,-0.09965 +297.67,500,292.79,1.8363,na,"{'p': [12.6, 3.32, 3635.48], 'n': [3.95, 0.55, 312.79]}",SingleLayer,na,30,0.0,na,na,na,na,-0.9254,0.0,na,0.0,0.165,na,JVASP-6502,na,2.729,na,SiI3,16,Pmc2_1,OptB88vdW,26,na,na,na,-0.20324 +146.59666666666666,700,143.37,na,na,"{'p': [0.53, 0.51, 50.29], 'n': [0.29, 0.24, 50.21]}",SingleLayer,na,35,0.0,na,na,67.22,na,-2.17168,0.0,na,0.0,0.006,na,JVASP-6322,na,1.956,na,CdPS3,10,C2/m,OptB88vdW,12,na,na,na,-0.38339 +235.37,900,286.8666666666667,1.3038,na,"{'p': [97.73, 97.73, 2494457.35], 'n': [4.06, 4.06, 18328.66]}",SingleLayer,na,50,0.0,na,na,48.54,na,-1.24859,0.0,na,0.001,0.011,na,JVASP-20026,na,3.448,na,RbBrF4,12,P4/mbm,OptB88vdW,127,na,na,na,-1.6063 +370.65000000000003,800,234.88333333333333,4.8427,na,"{'p': [42.77, 23.84, 647.46], 'n': [10.67, 7.75, 152.69]}",SingleLayer,na,30,0.0,na,na,75.1,na,-4.61866,0.0,na,0.0,0.196,na,JVASP-5914,na,1.247,na,ReSe2,12,P-1,OptB88vdW,2,na,na,na,-0.30474 +696.9633333333333,850,245.73333333333335,2.1077,na,"{'p': [76.76, 331.0, 3914.95], 'n': [2.87, 8.71, 97.3]}",SingleLayer,na,25,0.0,na,na,65.9,na,-1.2482,0.0,na,0.0,0.054,na,JVASP-19557,2.19,1.725,18.93,PtS2Cl6,9,P-1,OptB88vdW,2,na,na,na,-0.2159 +94.98333333333333,900,354.08,1.552,na,"{'p': [13.81, 14.2, 3630.82], 'n': [1.55, 0.67, 609.75]}",SingleLayer,na,25,0.0,na,na,68.89,na,-3.36237,0.0,na,0.0,0.007,na,JVASP-20014,na,1.543,na,YCl3,8,C2/m,OptB88vdW,12,na,na,na,-2.29504 +273.94666666666666,650,70.06666666666666,10.8853,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,55,0.0,na,na,188.72,na,-0.86388,0.0,na,0.0,0.368,na,JVASP-19539,na,0.022,na,Te2AuCl,8,Pmma,OptB88vdW,51,na,na,na,-0.08139 +551.4366666666667,1000,190.54666666666665,1.1245,na,"{'p': [1.37, 2.44, 54109.28], 'n': [0.96, 0.52, 18395.87]}",SingleLayer,na,20,0.0,na,na,110.72,na,-4.52904,0.0,na,0.0,0.0,na,JVASP-19540,na,5.979,na,CNCl,3,Pmm2,OptB88vdW,25,na,na,na,0.47822 +233.69000000000003,750,256.2233333333333,2.9142,na,"{'p': [13.23, 4.72, 5905.3], 'n': [0.73, 1.48, 183.88]}",SingleLayer,na,25,0.0,na,na,74.06,na,-2.85637,0.0,na,0.0,0.045,na,JVASP-14420,1.224,1.103,33.53,NbSe2Br2,10,C2/m,OptB88vdW,12,na,na,na,-0.6982 +na,650,na,3.4162,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,50,0.0,na,na,na,na,-1.88537,0.0,na,0.0,0.222,na,JVASP-5917,na,1.802,na,PbS,4,P4/nmm,OptB88vdW,129,na,na,na,-0.4598 +1418.6766666666665,600,277.75,2.6541,na,"{'p': [1.09, 1.45, 11460.28], 'n': [1.86, 0.3, 324.6]}",SingleLayer,na,30,0.0,na,na,165.9,na,-1.11793,0.0,na,0.0,0.065,na,JVASP-13596,na,1.292,na,AuSe,4,P2/m,OptB88vdW,10,na,na,na,0.09275 +115.47666666666667,900,-13.476666666666668,29.7132,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,50,0.0,na,na,515.58,na,-8.00488,0.0,na,0.001,0.342,na,JVASP-13597,na,0.0,na,W2N,3,P-3m1,OptB88vdW,164,na,na,na,0.91133 +255.13333333333335,1350,335.88000000000005,2.0269,na,"{'p': [10.46, 10.46, 5617.32], 'n': [1.7, 1.7, 9445.81]}",SingleLayer,na,25,0.0,na,na,110.77,na,-3.53683,0.0,na,0.0,0.051,na,JVASP-27915,2.979,2.68,4.92,Te4O9,26,P-3,OptB88vdW,147,na,na,na,-0.9425 +242.28333333333333,850,130.25,2.847,na,"{'p': [0.44, 1.18, 8788.87], 'n': [0.38, 0.37, 3779.73]}",SingleLayer,na,30,0.0,na,na,42.07,na,-5.88885,0.0,na,0.0,0.006,na,JVASP-14421,2.123,1.906,20.37,ZrBrN,6,Pmmn,OptB88vdW,59,na,na,na,-1.7256 +502.6366666666667,650,290.75333333333333,3.2399,na,"{'p': [1.62, 1.62, 1016.72], 'n': [2.11, 2.11, 512.81]}",SingleLayer,na,30,0.0,na,na,93.97,na,-2.09166,0.0,na,0.0,0.034,na,JVASP-19584,na,1.628,na,Tl2SnAs2S6,11,P-3,OptB88vdW,147,na,na,na,-0.27008 +595.13,600,124.53333333333335,28.9687,na,"{'p': [0.0, 0.0, 0.09], 'n': [0.0, 0.0, 0.09]}",SingleLayer,na,65,0.0,na,na,81.67,na,-0.19381,1.697,"[[22.8, 16.2, -3.6, 0.0, -0.0, 0.0], [16.2, 22.8, -3.6, -0.0, 0.0, -0.0], [-8.2, -8.2, -4.8, -0.0, -0.0, -0.0], [0.0, -0.0, -0.0, 1.4, 0.0, -0.0], [-0.1, 0.1, -0.0, 0.0, 0.4, 0.0], [0.0, -0.0, -0.0, -0.0, 0.0, 0.4]]",1.931,0.081,na,JVASP-27920,0.0,0.167,na,NiI2,3,P-3m1,OptB88vdW,164,na,na,na,-0.01828 +338.7966666666667,950,204.91,na,na,"{'p': [1.8, 79.03, 330311.44], 'n': [11.79, 4.47, 99833.13]}",SingleLayer,na,25,0.0,na,na,88.21,na,-1.92617,0.0,na,0.0,0.049,na,JVASP-6508,na,1.254,na,PdSCl,18,Pm,OptB88vdW,6,na,na,na,-0.3036 +80.41333333333334,700,114.23,2.0268,na,"{'p': [0.91, 1.49, 603.68], 'n': [0.58, 1.01, 347.59]}",SingleLayer,na,25,0.0,na,na,117.84,na,-3.27734,0.0,na,0.0,0.001,na,JVASP-20054,na,1.699,na,PS,8,C2,OptB88vdW,5,na,na,na,-0.03674 +378.44,1200,86.45,1.4121,na,"{'p': [13.72, 1.14, 396.61], 'n': [18835.56, 1.29, 566910.17]}",SingleLayer,na,20,0.0,na,na,68.47,na,-5.3828,0.0,"[[161.7, 46.2, 0.1, -0.0, 0.2, -0.0], [46.2, 201.3, 0.1, -0.0, 0.2, -0.0], [0.3, 0.2, 0.3, -0.0, 0.5, -0.0], [-0.0, -0.0, -0.0, 30.6, 0.0, -0.0], [0.5, 0.4, 0.5, 0.0, 0.0, 0.0], [-0.0, -0.0, -0.0, -0.0, 0.0, -4.9]]",0.0,0.0,na,JVASP-14432,na,1.499,na,AlHO2,8,P2_1/m,OptB88vdW,11,na,4.18,na,-2.36125 +152.61333333333332,600,231.59,2.8799,na,"{'p': [209.64, 22.82, 1677.54], 'n': [25.99, 0.67, 202.11]}",SingleLayer,na,30,0.0,na,na,95.78,na,-2.14967,0.0,na,0.0,0.385,na,JVASP-28006,1.712,1.274,29.02,ThTe2I2,10,C2/m,OptB88vdW,12,na,na,na,-0.93559 +0.6333333333333333,900,236.59,3.2879,na,"{'p': [22.09, 22.09, 145633.4], 'n': [28116.21, 28116.19, 198947105.71]}",SingleLayer,na,30,0.0,na,na,na,na,-3.5931,0.0,na,0.0,0.145,na,JVASP-20042,na,0.806,na,W6CCl8,25,P-6,OptB88vdW,174,na,na,na,-0.79065 +4.193333333333333,800,-26.78,12.4604,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,80,0.0,na,na,na,na,0.06091,0.0,na,0.0,na,na,JVASP-13619,na,0.0,na,BaZnBi,6,P4/nmm,OptB88vdW,129,na,na,na,-0.34787 +135.21,750,23.713333333333335,23.8646,na,"{'p': [0.0, 0.0, 0.09], 'n': [0.0, 0.0, 0.09]}",SingleLayer,na,25,0.0,na,na,45.65,na,-2.98092,1.7080000000000002,"[[52.6, 30.1, -0.3, -0.0, -4.9, 0.0], [30.1, 52.6, -0.3, 0.0, 4.9, -0.0], [-0.9, -0.9, -0.9, -0.0, -0.0, 0.0], [-0.0, 0.0, -0.0, 4.3, 0.0, -4.9], [-13.0, 13.0, -0.0, 0.0, -7.4, -0.0], [0.0, -0.0, 0.0, -4.9, -0.0, -7.4]]",1.994,na,na,JVASP-28011,0.0,0.0,na,YbClO,6,P-3m1,OptB88vdW,164,na,na,na,-2.21558 +479.5466666666667,2200,256.91,2.2461,na,"{'p': [0.78, 0.78, 247.94], 'n': [0.58, 0.58, 12126.04]}",SingleLayer,na,60,0.0,na,na,na,na,-4.69439,0.0,na,0.0,0.028,na,JVASP-20044,na,3.749,na,LaIO,6,P4/nmm,OptB88vdW,129,na,na,na,-2.93024 +84.02,500,194.60666666666665,2.4,na,"{'p': [6.56, 5.28, 7337.37], 'n': [17.45, 3.18, 6359.54]}",SingleLayer,na,30,0.0,na,na,178.35,na,-1.12397,0.0,na,0.0,0.188,na,JVASP-6514,na,0.945,na,NbI5,12,Pc,OptB88vdW,7,na,na,na,-0.26069 +570.2966666666667,1200,125.46,1.2984,na,"{'p': [1.07, 0.86, 39241.59], 'n': [1.07, 1.25, 27930.69]}",SingleLayer,na,25,0.0,na,na,247.89,na,-5.43788,0.0,na,0.0,0.0,na,JVASP-19576,na,2.561,na,CaCO3,5,Pmm2,OptB88vdW,25,na,na,na,-2.02342 +644.1733333333333,750,214.6,4.4979,na,"{'p': [0.34, 0.53, 7.99], 'n': [0.24, 0.14, 4.26]}",SingleLayer,na,35,0.0,na,na,78.16,na,-1.09904,0.0,na,0.0,0.076,na,JVASP-28013,na,1.137,na,Tl2O,3,C2/m,OptB88vdW,12,na,na,na,-0.59917 +117.71999999999998,600,13.906666666666666,9.7248,na,"{'p': [0.0, 0.0, 0.0], 'n': [0.0, 0.0, 0.0]}",SingleLayer,na,65,0.0,na,na,72.77,na,-3.40251,0.0,na,0.0,0.118,na,JVASP-13623,na,0.0,na,ZrGeTe,6,P4/nmm,OptB88vdW,129,na,na,na,-0.72863 +2.8266666666666667,750,3.0933333333333333,14.2705,na,"{'p': [0.0, 0.0, 0.02], 'n': [0.0, 0.0, 0.02]}",SingleLayer,na,75,0.0,na,na,83.88,na,-1.63056,0.0,na,0.0,0.938,na,JVASP-13624,na,0.0,na,Ni2SbTe2,5,P-6m2,OptB88vdW,187,na,na,na,-0.16405 +161.37666666666667,600,291.59666666666664,3.3229,na,"{'p': [2.07, 2.07, 3020.55], 'n': [0.22, 0.22, 980.03]}",SingleLayer,na,35,0.0,na,na,221.51,na,-4.02571,0.0,na,0.0,0.011,na,JVASP-19579,0.725,0.562,24.81,Ba2ZrS4,7,P4/mmm,OptB88vdW,123,na,na,na,-1.86812 +na,500,na,13.4175,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,150,0.0,na,na,na,na,-2.74052,0.0,na,0.0,na,na,JVASP-13627,na,0.0,na,NdTe2Se,8,P4/nmm,OptB88vdW,129,na,na,na,-1.12535 +1105.76,1050,139.04333333333332,na,na,"{'p': [0.48, 0.48, 3505.75], 'n': [0.41, 0.41, 31.06]}",SingleLayer,na,30,0.0,na,na,100.85,na,-0.89142,0.0,na,0.0,0.159,na,JVASP-6463,na,1.058,na,Tl4SnS3,16,P42_12,OptB88vdW,90,na,na,na,-0.31042 +130.89333333333335,950,-39.05,na,na,"{'p': [0.0, 0.0, 0.01], 'n': [0.0, 0.0, 0.01]}",SingleLayer,na,90,0.0,na,na,8.22,na,-5.37382,0.0,na,0.0,0.048,na,JVASP-6466,na,0.0,na,DyBC,6,P2/m,OptB88vdW,10,na,na,na,-0.08586 +422.13000000000005,850,290.95,11.5718,na,"{'p': [10.57, 4.51, 994.03], 'n': [1.03, 3.68, 783.1]}",SingleLayer,na,35,0.0,na,na,65.55,na,-3.21198,5.510000000000001,na,6.0,0.007,na,JVASP-27766,na,0.977,na,CrAgP2S6,20,P2/c,OptB88vdW,13,na,na,na,-0.30628 +75.55333333333333,750,55.23666666666666,9.645,na,"{'p': [0.0, 0.0, 0.09], 'n': [0.0, 0.0, 0.09]}",SingleLayer,na,70,0.0,na,na,94.87,na,-3.38065,0.0,na,0.0,0.265,na,JVASP-13608,na,0.0,na,Nb3GeTe6,20,Pmc2_1,OptB88vdW,26,na,na,na,-0.35141 +97.88666666666666,950,138.50333333333333,1.7131,na,"{'p': [2.94, 6918.89, 16631.67], 'n': [0.24, 3129.67, 7522.97]}",SingleLayer,na,30,0.0,na,na,135.73,na,-4.67173,0.0,na,0.0,0.025,na,JVASP-20029,na,2.268,na,AuCN,3,Pmm2,OptB88vdW,25,na,na,na,0.48158 +19.303333333333335,750,282.5733333333333,8.5452,na,"{'p': [7.49, 7.49, 139.57], 'n': [0.14, 0.14, 1.37]}",SingleLayer,na,45,0.0,na,na,64.69,na,-1.75132,0.0,na,0.0,1.313,na,JVASP-28027,na,0.923,na,Bi4Te3S8,35,P-3,OptB88vdW,147,na,na,na,-0.24845 +997.1733333333335,1200,174.16666666666666,3.6058,na,"{'p': [0.53, 2.29, 872.47], 'n': [0.4, 0.95, 496.44]}",SingleLayer,na,30,0.0,na,na,35.37,na,-5.34541,0.0,"[[181.8, 28.8, -0.1, 0.0, 0.0, -0.0], [28.8, 161.4, -0.1, 0.0, -0.1, 0.0], [-0.2, -0.3, -0.0, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 12.1, -0.0, -0.0], [0.1, -0.1, 0.0, -0.0, -0.1, 0.0], [-0.0, 0.0, 0.0, -0.0, 0.0, 0.1]]",0.0,0.062,na,JVASP-28028,0.917,0.873,30.59,NbIO2,8,P2_1/m,OptB88vdW,11,na,na,na,-2.01982 +na,1200,na,2.5865,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,39.21,na,-4.75669,0.0,na,0.0,0.037,na,JVASP-28046,1.86,1.994,26.02,ScIO,12,P2_1/m,OptB88vdW,11,na,na,na,-2.67409 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-4.16571,0.0,na,0.0,na,na,JVASP-113306,na,0.0,na,ZrHCl,6,P-3m1,OptB88vdW,164,na,na,na,-1.06716 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,na,na,-2.45789,0.0,na,0.0,na,na,JVASP-113338,na,0.0,na,CaGaN,6,P4/nmm,OptB88vdW,129,na,na,na,-0.55888 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,50,0.0,na,na,na,na,-0.07641,0.0,na,0.0,na,na,JVASP-113346,na,0.018,na,NaMgSb,6,P4/nmm,OptB88vdW,129,na,na,na,-0.05297 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,95,0.0,na,na,na,na,-2.20716,0.0,na,0.0,na,na,JVASP-113359,na,0.0,na,ErTe3,8,P4/nmm,OptB88vdW,129,na,na,na,-0.84231 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,70,0.0,na,na,na,na,-2.2392,0.0,na,0.0,na,na,JVASP-113387,na,0.0,na,AcSe3,4,P6/mmm,OptB88vdW,191,na,na,na,-0.60463 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,na,na,-5.40359,0.0,na,0.0,na,na,JVASP-155139,na,0.532,na,YScC2SNCl,7,P3m1,OptB88vdW,156,na,na,na,-0.70184 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-5.92575,0.0,na,0.0,na,na,JVASP-155145,na,1.002,na,ZrScCBrO,5,P3m1,OptB88vdW,156,na,na,na,-1.85942 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,na,na,-7.62313,0.0,na,0.0,na,na,JVASP-155148,na,0.731,na,HfTiCO2,5,P3m1,OptB88vdW,156,na,na,na,-2.25526 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,na,na,-6.1705,0.0,na,0.0,na,na,JVASP-153099,na,0.0,na,B2N,3,Cmmm,OptB88vdW,65,na,na,na,0.08959 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,55,0.0,na,na,na,na,-5.77262,0.0,na,0.0,na,na,JVASP-153100,na,0.0,na,B2O,3,Cmmm,OptB88vdW,65,na,na,na,-0.73051 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-5.46519,0.0,na,0.0,na,na,JVASP-153101,na,0.0,na,B,5,Pmmm,OptB88vdW,47,na,na,na,0.49409 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,60,0.0,na,na,na,na,-6.72199,0.0,"[[347.5, 52.3, -0.1, 0.0, -0.0, 0.0], [52.3, 347.5, -0.1, -0.0, -0.0, -0.0], [-0.1, -0.1, 0.1, -0.0, -0.0, -0.0], [0.0, -0.0, -0.0, 72.6, -0.0, -0.0], [-0.0, -0.0, -0.0, 0.0, 0.2, -0.0], [0.0, -0.0, -0.0, -0.0, -0.0, 0.2]]",0.0,na,na,JVASP-153102,na,0.0,na,CaC6,7,P6mm,OptB88vdW,183,na,na,na,0.07726 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,35,0.0,na,na,na,na,-5.00895,0.0,na,0.0,na,na,JVASP-153103,na,0.0,na,CaRu2N2,5,C2/m,OptB88vdW,12,na,na,na,0.01638 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,65,0.0,na,na,na,na,-5.48193,0.0,na,0.0,na,na,JVASP-153104,na,0.0,na,B,4,Cmmm,OptB88vdW,65,na,na,na,0.47736 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,20,0.0,na,na,na,na,-4.07091,5.774,na,5.999,na,na,JVASP-153105,na,1.813,na,CrF3,8,P-31m,OptB88vdW,162,na,na,na,-2.62515 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-3.57295,0.0,na,0.0,na,na,JVASP-153106,na,0.0,na,NbTe2,3,P-6m2,OptB88vdW,187,na,na,na,-0.32565 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,45,0.0,na,na,na,na,-5.03466,0.0,na,0.0,na,na,JVASP-153108,na,0.0,na,LiBC,3,P3m1,OptB88vdW,156,na,na,na,-0.06357 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,55,0.0,na,na,na,na,-6.89944,0.0,na,0.0,na,na,JVASP-153109,na,0.0,na,LiC6,7,P6mm,OptB88vdW,183,na,na,na,0.1147 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,50,0.0,na,na,na,na,-3.15792,0.0,na,0.0,na,na,JVASP-153113,na,0.0,na,MgB2,3,P6mm,OptB88vdW,183,na,na,na,0.43729 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,60,0.0,na,na,na,na,-2.16217,0.0,na,0.0,na,na,JVASP-153114,na,0.0,na,MgBH,3,Pm,OptB88vdW,6,na,na,na,0.58761 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,na,na,-7.32897,0.0,na,0.0,na,na,JVASP-153115,na,0.0,na,NbC,4,P-3m1,OptB88vdW,164,na,na,na,0.34236 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,40,0.0,na,na,na,na,-5.28507,0.15,na,0.241,na,na,JVASP-153117,na,0.0,na,ScC,4,P-3m1,OptB88vdW,164,na,na,na,0.46285 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,30,0.0,na,na,na,na,-3.56507,0.0,na,0.0,na,na,JVASP-153118,na,0.0,na,NbTe2,3,P-3m1,OptB88vdW,164,na,na,na,-0.31776 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,55,0.0,na,na,na,na,-4.00241,0.0,na,0.0,na,na,JVASP-153119,na,0.0,na,TaTe2,3,P-3m1,OptB88vdW,164,na,na,na,-0.21262 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,45,0.0,na,na,na,na,-6.86345,0.0,na,0.0,na,na,JVASP-153120,na,0.0,na,B3W2,5,P-6m2,OptB88vdW,187,na,na,na,0.91212 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,60,0.0,na,na,na,na,-4.91312,0.0,"[[162.4, 55.1, 0.3, 0.0, 0.0, 0.0], [55.1, 162.4, 0.3, 0.0, 0.0, 0.0], [0.5, 0.5, 0.3, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 31.8, 0.0, 0.0], [0.0, 0.0, 0.0, 0.0, -3.0, 0.0], [0.0, 0.0, 0.0, 0.0, 0.0, -3.0]]",0.0,na,na,JVASP-153121,na,0.0,na,ZrSiS,6,P4mm,OptB88vdW,99,na,na,na,-0.76981 +na,500,na,na,na,"{'p': 'na', 'n': 'na'}",SingleLayer,na,45,0.0,na,na,na,na,-8.28158,0.0,"[[396.4, 151.9, 0.4, 0.0, -0.0, -0.0], [151.9, 396.4, 0.4, 0.0, 0.0, -0.0], [0.6, 0.6, 2.0, 0.0, -0.0, -0.0], [0.0, 0.0, 0.0, 77.1, -0.0, 0.0], [-0.0, 0.0, -0.0, -0.0, 0.7, -0.0], [-0.0, -0.0, -0.0, -0.0, -0.0, 0.7]]",0.0,na,na,JVASP-153122,na,0.0,na,W2N3,5,P-6m2,OptB88vdW,187,na,na,na,0.03544