reciprocal_cell = [ [ "1.9692530304470168", "1.136948767231071", "0.0",], [ "2.186310055715142e-16", "2.2738975344621424", "0.0",], [ "0.0", "0.0", "0.29473339121892783",],]
cell = [ [ "3.19064397", "0.0", "0.0",], [ "-1.5953219849999993", "2.7631787324516344", "0.0",], [ "0.0", "0.0", "21.31819975",],]
volume = "187.9480614554541"
chemical_formula = "Mo3S6"
chemical_symbols = [ "Mo", "Mo", "Mo", "S", "S", "S", "S", "S", "S",]
cell_scaled_unit = [ [ "0.66666667", "0.33333333", "0.33311032999999995",], [ "0.3333333299999999", "0.66666667", "0.66644367",], [ "0.0", "0.0", "0.9997769999999998",], [ "0.3333333299999999", "0.66666667", "0.07320167",], [ "0.0", "0.0", "0.259688",], [ "0.0", "0.0", "0.406535",], [ "0.66666667", "0.33333333", "0.5930213299999999",], [ "0.66666667", "0.33333333", "0.7398683299999999",], [ "0.3333333299999999", "0.66666667", "0.92635467",],]
masses = [ "95.95", "95.95", "95.95", "32.06", "32.06", "32.06", "32.06", "32.06", "32.06",]
positions = [ [ "1.5953220009532203", "0.9210595682732823", "7.101312553728417",], [ "-1.5953219584832424e-08", "1.842119164178352", "14.207379279183085",], [ "0.0", "0.0", "21.31344579145575",], [ "-1.5953219584832424e-08", "1.842119164178352", "1.5605278230935826",], [ "0.0", "0.0", "5.536080656678",], [ "0.0", "0.0", "8.66659433536625",], [ "1.5953220009532203", "0.9210595682732823", "12.642147168950666",], [ "1.5953220009532203", "0.9210595682732823", "15.772660847638916",], [ "-1.5953219584832424e-08", "1.842119164178352", "19.748213894405335",],]
atomic_numbers = [ "42", "42", "42", "16", "16", "16", "16", "16", "16",]
spacegroup = "R 3 m"
spacegroup_number = 160
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",],], [ [ "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=[35x3]), energies=[1x35x47 values], reference=9.1481)"
electronic_band_structure_3d = "BandStructure(path=BandPath(path='Kpt0Kpt1Kpt2Kpt3Kpt4Kpt5Kpt6Kpt7Kpt8Kpt9Kpt10Kpt11Kpt12Kpt13Kpt14Kpt15Kpt16Kpt17Kpt18Kpt19Kpt20Kpt21Kpt22Kpt23Kpt24Kpt25Kpt26Kpt27Kpt28Kpt29Kpt30Kpt31Kpt32Kpt33Kpt34Kpt35Kpt36Kpt37Kpt38Kpt39Kpt40Kpt41Kpt42Kpt43Kpt44Kpt45Kpt46Kpt47Kpt48Kpt49Kpt50Kpt51Kpt52Kpt53Kpt54Kpt55Kpt56Kpt57Kpt58Kpt59Kpt60Kpt61Kpt62Kpt63Kpt64Kpt65Kpt66Kpt67Kpt68Kpt69Kpt70Kpt71Kpt72Kpt73Kpt74Kpt75Kpt76Kpt77Kpt78Kpt79Kpt80Kpt81Kpt82Kpt83Kpt84Kpt85Kpt86Kpt87Kpt88Kpt89Kpt90Kpt91Kpt92Kpt93Kpt94Kpt95Kpt96Kpt97Kpt98Kpt99Kpt100Kpt101Kpt102Kpt103Kpt104Kpt105Kpt106Kpt107Kpt108Kpt109Kpt110Kpt111Kpt112Kpt113Kpt114Kpt115Kpt116Kpt117Kpt118Kpt119Kpt120Kpt121Kpt122Kpt123Kpt124Kpt125Kpt126Kpt127Kpt128Kpt129Kpt130Kpt131Kpt132Kpt133Kpt134Kpt135Kpt136Kpt137Kpt138Kpt139Kpt140Kpt141Kpt142Kpt143Kpt144Kpt145Kpt146Kpt147Kpt148Kpt149Kpt150Kpt151Kpt152Kpt153Kpt154Kpt155Kpt156Kpt157Kpt158Kpt159Kpt160Kpt161Kpt162Kpt163Kpt164Kpt165Kpt166Kpt167Kpt168Kpt169Kpt170Kpt171Kpt172Kpt173Kpt174Kpt175Kpt176Kpt177Kpt178Kpt179Kpt180Kpt181Kpt182Kpt183Kpt184Kpt185Kpt186Kpt187Kpt188Kpt189Kpt190Kpt191Kpt192Kpt193Kpt194Kpt195Kpt196Kpt197Kpt198Kpt199Kpt196Kpt197Kpt194Kpt195Kpt192Kpt193Kpt190Kpt191Kpt188Kpt189Kpt186Kpt187Kpt184Kpt185Kpt182Kpt183Kpt180Kpt181Kpt178Kpt179Kpt174Kpt175Kpt172Kpt173Kpt170Kpt171Kpt168Kpt169Kpt166Kpt167Kpt164Kpt165Kpt162Kpt163Kpt160Kpt161Kpt158Kpt159Kpt156Kpt157Kpt152Kpt153Kpt150Kpt151Kpt148Kpt149Kpt146Kpt147Kpt144Kpt145Kpt142Kpt143Kpt140Kpt141Kpt138Kpt139Kpt136Kpt137Kpt134Kpt135Kpt130Kpt131Kpt128Kpt129Kpt126Kpt127Kpt124Kpt125Kpt122Kpt123Kpt120Kpt121Kpt118Kpt119Kpt116Kpt117Kpt114Kpt115Kpt112Kpt113Kpt108Kpt109Kpt106Kpt107Kpt104Kpt105Kpt102Kpt103Kpt100Kpt101Kpt98Kpt99Kpt96Kpt97Kpt94Kpt95Kpt92Kpt93Kpt90Kpt91Kpt86Kpt87Kpt84Kpt85Kpt82Kpt83Kpt80Kpt81Kpt78Kpt79Kpt76Kpt77Kpt74Kpt75Kpt72Kpt73Kpt70Kpt71Kpt68Kpt69Kpt64Kpt65Kpt62Kpt63Kpt60Kpt61Kpt58Kpt59Kpt56Kpt57Kpt54Kpt55Kpt52Kpt53Kpt50Kpt51Kpt48Kpt49Kpt46Kpt47Kpt42Kpt43Kpt40Kpt41Kpt38Kpt39Kpt36Kpt37Kpt34Kpt35Kpt32Kpt33Kpt30Kpt31Kpt28Kpt29Kpt26Kpt27Kpt24Kpt25Kpt20Kpt21Kpt18Kpt19Kpt16Kpt17Kpt14Kpt15Kpt12Kpt13Kpt10Kpt11Kpt8Kpt9Kpt6Kpt7Kpt4Kpt5Kpt2Kpt3', cell=[3x3], special_points={AGHKKpt0Kpt1Kpt10Kpt100Kpt101Kpt102Kpt103Kpt104Kpt105Kpt106Kpt107Kpt108Kpt109Kpt11Kpt110Kpt111Kpt112Kpt113Kpt114Kpt115Kpt116Kpt117Kpt118Kpt119Kpt12Kpt120Kpt121Kpt122Kpt123Kpt124Kpt125Kpt126Kpt127Kpt128Kpt129Kpt13Kpt130Kpt131Kpt132Kpt133Kpt134Kpt135Kpt136Kpt137Kpt138Kpt139Kpt14Kpt140Kpt141Kpt142Kpt143Kpt144Kpt145Kpt146Kpt147Kpt148Kpt149Kpt15Kpt150Kpt151Kpt152Kpt153Kpt154Kpt155Kpt156Kpt157Kpt158Kpt159Kpt16Kpt160Kpt161Kpt162Kpt163Kpt164Kpt165Kpt166Kpt167Kpt168Kpt169Kpt17Kpt170Kpt171Kpt172Kpt173Kpt174Kpt175Kpt176Kpt177Kpt178Kpt179Kpt18Kpt180Kpt181Kpt182Kpt183Kpt184Kpt185Kpt186Kpt187Kpt188Kpt189Kpt19Kpt190Kpt191Kpt192Kpt193Kpt194Kpt195Kpt196Kpt197Kpt198Kpt199Kpt2Kpt20Kpt21Kpt22Kpt23Kpt24Kpt25Kpt26Kpt27Kpt28Kpt29Kpt3Kpt30Kpt31Kpt32Kpt33Kpt34Kpt35Kpt36Kpt37Kpt38Kpt39Kpt4Kpt40Kpt41Kpt42Kpt43Kpt44Kpt45Kpt46Kpt47Kpt48Kpt49Kpt5Kpt50Kpt51Kpt52Kpt53Kpt54Kpt55Kpt56Kpt57Kpt58Kpt59Kpt6Kpt60Kpt61Kpt62Kpt63Kpt64Kpt65Kpt66Kpt67Kpt68Kpt69Kpt7Kpt70Kpt71Kpt72Kpt73Kpt74Kpt75Kpt76Kpt77Kpt78Kpt79Kpt8Kpt80Kpt81Kpt82Kpt83Kpt84Kpt85Kpt86Kpt87Kpt88Kpt89Kpt9Kpt90Kpt91Kpt92Kpt93Kpt94Kpt95Kpt96Kpt97Kpt98Kpt99LM}, kpts=[1900x3]), energies=[1x1900x47 values], reference=9.0799)"

[ground_state]
kinetic_energy = 0.0
potential_energy = -7565.498332039373
stress = [ "0.195276516073465", "0.195276516073465", "0.19734420702289415", "-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",], [ "0.0", "0.0", "0.0",], [ "0.0", "0.0", "0.0",], [ "0.0", "0.0", "0.0",],]
total_energy = -7565.498332039373
angular_momentum = [ "0.0", "0.0", "0.0",]
moments_of_inertia = [ "504.6412946885289", "18653.103094971415", "18691.643831762885",]
center_of_mass = [ "0.5317739950000002", "0.9210595774838781", "12.784133753520031",]
Fermi_level = 8.3178

[electronic_dos]
energy = [ "-62.509699999999995", "-62.34400125", "-62.178302499999994", "-62.01260375", "-61.84690499999999", "-61.681206249999995", "-61.5155075", "-61.349808749999994", "-61.18411", "-61.01841124999999", "-60.852712499999996", "-60.68701375", "-60.521314999999994", "-60.35561625", "-60.18991749999999", "-60.024218749999996", "-59.85852", "-59.692821249999994", "-59.5271225", "-59.36142374999999", "-59.195724999999996", "-59.03002624999999", "-58.864327499999995", "-58.69862875", "-58.53292999999999", "-58.367231249999996", "-58.2015325", "-58.035833749999995", "-57.870135", "-57.70443624999999", "-57.538737499999996", "-57.37303874999999", "-57.207339999999995", "-57.04164125", "-56.875942499999994", "-56.71024375", "-56.54454499999999", "-56.378846249999995", "-56.21314749999999", "-56.047448749999994", "-55.88175", "-55.71605124999999", "-55.550352499999995", "-55.38465375", "-55.218954999999994", "-55.05325625", "-54.88755749999999", "-54.721858749999996", "-54.55615999999999", 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energy_unit = "eV"
Fermi_level = 8.3178
title = "Mo3S6 e-DOS [QUANTUMESPRESSO]"
