reciprocal_cell = [ [ "1.968269748102829", "1.136381068904965", "0.0",], [ "3.067786681141808e-16", "2.2727621378099294", "0.0",], [ "0.0", "0.0", "0.4696551972172237",],]
cell = [ [ "3.19223791", "0.0", "0.0",], [ "-1.5961189549999992", "2.7645591249837427", "0.0",], [ "0.0", "0.0", "13.378294",],]
volume = "118.06518965760738"
chemical_formula = "Mo2S4"
chemical_symbols = [ "Mo", "Mo", "S", "S", "S", "S",]
cell_scaled_unit = [ [ "0.33333333", "0.66666667", "0.7500000000000001",], [ "0.6666666700000001", "0.33333333", "0.24999999999999992",], [ "0.33333333", "0.66666667", "0.133082",], [ "0.6666666700000001", "0.33333333", "0.8669180000000001",], [ "0.66666666", "0.33333333", "0.633082",], [ "0.33333334000000003", "0.66666667", "0.36691799999999997",],]
masses = [ "95.95", "95.95", "32.06", "32.06", "32.06", "32.06",]
positions = [ [ "-1.596118916080422e-08", "1.8430394258710256", "10.033720500000001",], [ "1.59611897096119", "0.9215196991127171", "3.3445734999999988",], [ "-1.596118916080422e-08", "1.8430394258710256", "1.7804101221080002",], [ "1.59611897096119", "0.9215196991127171", "11.597883877892",], [ "1.5961189390388106", "0.9215196991127171", "8.469557122108",], [ "1.5961190023674936e-08", "1.8430394258710256", "4.908736877891999",],]
atomic_numbers = [ "42", "42", "16", "16", "16", "16",]
spacegroup = "P 63/m m c"
spacegroup_number = 194
spacegroup_rotations = [ [ [ "1", "0", "0",], [ "0", "1", "0",], [ "0", "0", "1",],], [ [ "0", "-1", "0",], [ "1", "-1", "0",], [ "0", "0", "1",],], [ [ "-1", "1", "0",], [ "-1", "0", "0",], [ "0", "0", "1",],], [ [ "-1", "0", "0",], [ "0", "-1", "0",], [ "0", "0", "1",],], [ [ "0", "1", "0",], [ "-1", "1", "0",], [ "0", "0", "1",],], [ [ "1", "-1", "0",], [ "1", "0", "0",], [ "0", "0", "1",],], [ [ "0", "1", "0",], [ "1", "0", "0",], [ "0", "0", "-1",],], [ [ "1", "-1", "0",], [ "0", "-1", "0",], [ "0", "0", "-1",],], [ [ "-1", "0", "0",], [ "-1", "1", "0",], [ "0", "0", "-1",],], [ [ "0", "-1", "0",], [ "-1", "0", "0",], [ "0", "0", "-1",],], [ [ "-1", "1", "0",], [ "0", "1", "0",], [ "0", "0", "-1",],], [ [ "1", "0", "0",], [ "1", "-1", "0",], [ "0", "0", "-1",],], [ [ "-1", "0", "0",], [ "0", "-1", "0",], [ "0", "0", "-1",],], [ [ "0", "1", "0",], [ "-1", "1", "0",], [ "0", "0", "-1",],], [ [ "1", "-1", "0",], [ "1", "0", "0",], [ "0", "0", "-1",],], [ [ "1", "0", "0",], [ "0", "1", "0",], [ "0", "0", "-1",],], [ [ "0", "-1", "0",], [ "1", "-1", "0",], [ "0", "0", "-1",],], [ [ "-1", "1", "0",], [ "-1", "0", "0",], [ "0", "0", "-1",],], [ [ "0", "-1", "0",], [ "-1", "0", "0",], [ "0", "0", "1",],], [ [ "-1", "1", "0",], [ "0", "1", "0",], [ "0", "0", "1",],], [ [ "1", "0", "0",], [ "1", "-1", "0",], [ "0", "0", "1",],], [ [ "0", "1", "0",], [ "1", "0", "0",], [ "0", "0", "1",],], [ [ "1", "-1", "0",], [ "0", "-1", "0",], [ "0", "0", "1",],], [ [ "-1", "0", "0",], [ "-1", "1", "0",], [ "0", "0", "1",],],]
electronic_band_structure = "BandStructure(path=BandPath(path='GMKGALHALMKH', cell=[3x3], special_points={AGHKLM}, kpts=[36x3]), energies=[1x36x31 values], reference=9.4837)"
electronic_band_structure_3d = "BandStructure(path=BandPath(path='Kpt0Kpt1Kpt2Kpt3Kpt4Kpt5Kpt6Kpt7Kpt8Kpt9Kpt10Kpt11Kpt12Kpt13Kpt14Kpt15Kpt16Kpt17Kpt18Kpt19Kpt20Kpt21Kpt22Kpt23Kpt24Kpt25Kpt26Kpt27Kpt28Kpt29Kpt30Kpt31Kpt32Kpt33Kpt34Kpt35Kpt36Kpt37Kpt38Kpt39Kpt40Kpt41Kpt42Kpt43Kpt44Kpt45Kpt46Kpt47Kpt48Kpt49Kpt50Kpt51Kpt52Kpt53Kpt54Kpt55Kpt56Kpt57Kpt58Kpt59Kpt60Kpt61Kpt62Kpt63Kpt64Kpt65Kpt66Kpt67Kpt68Kpt69Kpt70Kpt71Kpt72Kpt73Kpt74Kpt75Kpt76Kpt77Kpt78Kpt79Kpt80Kpt81Kpt82Kpt83Kpt84Kpt85Kpt86Kpt87Kpt88Kpt89Kpt90Kpt91Kpt92Kpt93Kpt94Kpt95Kpt96Kpt97Kpt98Kpt99Kpt100Kpt101Kpt102Kpt103Kpt104Kpt105Kpt106Kpt107Kpt108Kpt109Kpt110Kpt111Kpt112Kpt113Kpt114Kpt115Kpt116Kpt117Kpt118Kpt119Kpt120Kpt121Kpt122Kpt123Kpt124Kpt125Kpt126Kpt127Kpt128Kpt129Kpt130Kpt131Kpt132Kpt133Kpt134Kpt135Kpt136Kpt137Kpt138Kpt139Kpt140Kpt141Kpt142Kpt143Kpt144Kpt145Kpt146Kpt147Kpt148Kpt149Kpt150Kpt151Kpt152Kpt153Kpt154Kpt155Kpt156Kpt157Kpt158Kpt159Kpt160Kpt161Kpt162Kpt163Kpt164Kpt165Kpt166Kpt167Kpt168Kpt169Kpt170Kpt171Kpt172Kpt173Kpt174Kpt175Kpt176Kpt177Kpt178Kpt179Kpt180Kpt181Kpt182Kpt183Kpt184Kpt185Kpt186Kpt187Kpt188Kpt189Kpt190Kpt191Kpt192Kpt193Kpt194Kpt195Kpt196Kpt197Kpt198Kpt199', cell=[3x3], special_points={AGHKKpt0Kpt1Kpt10Kpt100Kpt101Kpt102Kpt103Kpt104Kpt105Kpt106Kpt107Kpt108Kpt109Kpt11Kpt110Kpt111Kpt112Kpt113Kpt114Kpt115Kpt116Kpt117Kpt118Kpt119Kpt12Kpt120Kpt121Kpt122Kpt123Kpt124Kpt125Kpt126Kpt127Kpt128Kpt129Kpt13Kpt130Kpt131Kpt132Kpt133Kpt134Kpt135Kpt136Kpt137Kpt138Kpt139Kpt14Kpt140Kpt141Kpt142Kpt143Kpt144Kpt145Kpt146Kpt147Kpt148Kpt149Kpt15Kpt150Kpt151Kpt152Kpt153Kpt154Kpt155Kpt156Kpt157Kpt158Kpt159Kpt16Kpt160Kpt161Kpt162Kpt163Kpt164Kpt165Kpt166Kpt167Kpt168Kpt169Kpt17Kpt170Kpt171Kpt172Kpt173Kpt174Kpt175Kpt176Kpt177Kpt178Kpt179Kpt18Kpt180Kpt181Kpt182Kpt183Kpt184Kpt185Kpt186Kpt187Kpt188Kpt189Kpt19Kpt190Kpt191Kpt192Kpt193Kpt194Kpt195Kpt196Kpt197Kpt198Kpt199Kpt2Kpt20Kpt21Kpt22Kpt23Kpt24Kpt25Kpt26Kpt27Kpt28Kpt29Kpt3Kpt30Kpt31Kpt32Kpt33Kpt34Kpt35Kpt36Kpt37Kpt38Kpt39Kpt4Kpt40Kpt41Kpt42Kpt43Kpt44Kpt45Kpt46Kpt47Kpt48Kpt49Kpt5Kpt50Kpt51Kpt52Kpt53Kpt54Kpt55Kpt56Kpt57Kpt58Kpt59Kpt6Kpt60Kpt61Kpt62Kpt63Kpt64Kpt65Kpt66Kpt67Kpt68Kpt69Kpt7Kpt70Kpt71Kpt72Kpt73Kpt74Kpt75Kpt76Kpt77Kpt78Kpt79Kpt8Kpt80Kpt81Kpt82Kpt83Kpt84Kpt85Kpt86Kpt87Kpt88Kpt89Kpt9Kpt90Kpt91Kpt92Kpt93Kpt94Kpt95Kpt96Kpt97Kpt98Kpt99LM}, kpts=[1000x3]), energies=[1x1000x31 values], reference=9.8915)"

[ground_state]
kinetic_energy = 0.0
potential_energy = -5043.6399365355755
stress = [ "0.20761012731843922", "0.20761012731843922", "0.2051457922792439", "0.0", "0.0", "-0.0",]
momenta = [ [ "0.0", "0.0", "0.0",], [ "0.0", "0.0", "0.0",], [ "0.0", "0.0", "0.0",], [ "0.0", "0.0", "0.0",], [ "0.0", "0.0", "0.0",], [ "0.0", "0.0", "0.0",],]
total_energy = -5043.6399365355755
angular_momentum = [ "0.0", "0.0", "0.0",]
moments_of_inertia = [ "261.26785718632254", "3905.4885436113736", "4166.756400797696",]
center_of_mass = [ "0.7980594775000004", "1.3822795624918716", "6.689147",]
Fermi_level = 9.34

[electronic_dos]
energy = [ "-62.6696", "-62.50398975", "-62.3383795", "-62.17276925", "-62.007159", "-61.84154875", "-61.6759385", "-61.51032825", "-61.344718", "-61.17910775", "-61.0134975", "-60.84788725", "-60.682277", "-60.51666675", "-60.351056500000006", "-60.185446250000005", "-60.019836000000005", "-59.854225750000005", "-59.688615500000004", "-59.523005250000004", "-59.357395000000004", "-59.191784750000004", "-59.0261745", "-58.86056425", "-58.694954", "-58.52934375", "-58.3637335", "-58.19812325", "-58.032513", "-57.86690275", "-57.7012925", "-57.53568225", "-57.370072", "-57.20446175", "-57.0388515", "-56.87324125", "-56.707631", "-56.542020750000006", "-56.376410500000006", "-56.210800250000005", "-56.045190000000005", "-55.879579750000005", "-55.713969500000005", "-55.548359250000004", "-55.382749000000004", "-55.217138750000004", "-55.0515285", "-54.88591825", "-54.720308", "-54.55469775", "-54.3890875", "-54.22347725", "-54.057867", "-53.89225675", "-53.7266465", "-53.56103625", 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"9.52421764641878", "1.1445363424878054", "6.483614564951001", "5.446313628386878", "3.598511408955355", "13.566608798655597", "20.02919377483386", "35.706957854238325", "4.710071035469488", "7.382720515702358", "24.835923221057257", "1.1604494919186545", "0.0029773740227819236", "0.47998513022896455", "0.3763231510718593", "3.575607762235116", "8.642592421610122", "1.4913737860594094", "1.3217881072373743", "0.03467868558958159", "5.787839227299151e-06", "4.0984011454803056e-12", "7.455943175567865e-16", "2.7494921774352227e-08", "0.004258320778245211", "2.7761499346952565", "7.635018625992757", "0.09777007066516308", "3.3416689168828904", "35.920880941474714", "14.257808553554495", "8.179211119563037", "12.291968564917852", "6.978837139835535", "2.898051910338119", "9.829080038955848", "8.910045259409067", "6.6843879950750065", "0.30736297194589074", "6.314537028864624e-05", "5.646038688407166e-11",]
energy_unit = "eV"
Fermi_level = 9.34
title = "Mo2S4 e-DOS [QUANTUMESPRESSO]"
