reciprocal_cell = [ [ "1.4842918006104244", "0.0", "0.0",], [ "0.0", "1.4842918006104244", "0.0",], [ "0.0", "0.0", "1.4842918006104244",],]
cell = [ [ "4.23312", "0.0", "0.0",], [ "0.0", "4.23312", "0.0",], [ "0.0", "0.0", "4.23312",],]
volume = "75.85456810390737"
chemical_formula = "Cu4O4"
chemical_symbols = [ "Cu", "Cu", "Cu", "Cu", "O", "O", "O", "O",]
cell_scaled_unit = [ [ "0.0", "0.0", "0.0",], [ "0.5", "0.5", "0.0",], [ "0.5", "0.0", "0.5",], [ "0.0", "0.5", "0.5",], [ "0.0", "0.0", "0.5",], [ "0.5", "0.0", "0.0",], [ "0.0", "0.5", "0.0",], [ "0.5", "0.5", "0.5",],]
masses = [ "63.546", "63.546", "63.546", "63.546", "15.999", "15.999", "15.999", "15.999",]
positions = [ [ "0.0", "0.0", "0.0",], [ "2.11656", "2.11656", "0.0",], [ "2.11656", "0.0", "2.11656",], [ "0.0", "2.11656", "2.11656",], [ "0.0", "0.0", "2.11656",], [ "2.11656", "0.0", "0.0",], [ "0.0", "2.11656", "0.0",], [ "2.11656", "2.11656", "2.11656",],]
atomic_numbers = [ "29", "29", "29", "29", "8", "8", "8", "8",]
spacegroup = "F m -3 m"
spacegroup_number = 225
spacegroup_rotations = [ [ [ "1", "0", "0",], [ "0", "1", "0",], [ "0", "0", "1",],], [ [ "-1", "0", "0",], [ "0", "-1", "0",], [ "0", "0", "1",],], [ [ "-1", "0", "0",], [ "0", "1", "0",], [ "0", "0", "-1",],], [ [ "1", "0", "0",], [ "0", "-1", "0",], [ "0", "0", "-1",],], [ [ "0", "0", "1",], [ "1", "0", "0",], [ "0", "1", "0",],], [ [ "0", "0", "1",], [ "-1", "0", "0",], [ "0", "-1", "0",],], [ [ "0", "0", "-1",], [ "-1", "0", "0",], [ "0", "1", "0",],], [ [ "0", "0", "-1",], [ "1", "0", "0",], [ "0", "-1", "0",],], [ [ "0", "1", "0",], [ "0", "0", "1",], [ "1", "0", "0",],], [ [ "0", "-1", "0",], [ "0", "0", "1",], [ "-1", "0", "0",],], [ [ "0", "1", "0",], [ "0", "0", "-1",], [ "-1", "0", "0",],], [ [ "0", "-1", "0",], [ "0", "0", "-1",], [ "1", "0", "0",],], [ [ "0", "1", "0",], [ "1", "0", "0",], [ "0", "0", "-1",],], [ [ "0", "-1", "0",], [ "-1", "0", "0",], [ "0", "0", "-1",],], [ [ "0", "1", "0",], [ "-1", "0", "0",], [ "0", "0", "1",],], [ [ "0", "-1", "0",], [ "1", "0", "0",], [ "0", "0", "1",],], [ [ "1", "0", "0",], [ "0", "0", "1",], [ "0", "-1", "0",],], [ [ "-1", "0", "0",], [ "0", "0", "1",], [ "0", "1", "0",],], [ [ "-1", "0", "0",], [ "0", "0", "-1",], [ "0", "-1", "0",],], [ [ "1", "0", "0",], [ "0", "0", "-1",], [ "0", "1", "0",],], [ [ "0", "0", "1",], [ "0", "1", "0",], [ "-1", "0", "0",],], [ [ "0", "0", "1",], [ "0", "-1", "0",], [ "1", "0", "0",],], [ [ "0", "0", "-1",], [ "0", "1", "0",], [ "1", "0", "0",],], [ [ "0", "0", "-1",], [ "0", "-1", "0",], [ "-1", "0", "0",],], [ [ "-1", "0", "0",], [ "0", "-1", "0",], [ "0", "0", "-1",],], [ [ "1", "0", "0",], [ "0", "1", "0",], [ "0", "0", "-1",],], [ [ "1", "0", "0",], [ "0", "-1", "0",], [ "0", "0", "1",],], [ [ "-1", "0", "0",], [ "0", "1", "0",], [ "0", "0", "1",],], [ [ "0", "0", "-1",], [ "-1", "0", "0",], [ "0", "-1", "0",],], [ [ "0", "0", "-1",], [ "1", "0", "0",], [ "0", "1", "0",],], [ [ "0", "0", "1",], [ "1", "0", "0",], [ "0", "-1", "0",],], [ [ "0", "0", "1",], [ "-1", "0", "0",], [ "0", "1", "0",],], [ [ "0", "-1", "0",], [ "0", "0", "-1",], [ "-1", "0", "0",],], [ [ "0", "1", "0",], [ "0", "0", "-1",], [ "1", "0", "0",],], [ [ "0", "-1", "0",], [ "0", "0", "1",], [ "1", "0", "0",],], [ [ "0", "1", "0",], [ "0", "0", "1",], [ "-1", "0", "0",],], [ [ "0", "-1", "0",], [ "-1", "0", "0",], [ "0", "0", "1",],], [ [ "0", "1", "0",], [ "1", "0", "0",], [ "0", "0", "1",],], [ [ "0", "-1", "0",], [ "1", "0", "0",], [ "0", "0", "-1",],], [ [ "0", "1", "0",], [ "-1", "0", "0",], [ "0", "0", "-1",],], [ [ "-1", "0", "0",], [ "0", "0", "-1",], [ "0", "1", "0",],], [ [ "1", "0", "0",], [ "0", "0", "-1",], [ "0", "-1", "0",],], [ [ "1", "0", "0",], [ "0", "0", "1",], [ "0", "1", "0",],], [ [ "-1", "0", "0",], [ "0", "0", "1",], [ "0", "-1", "0",],], [ [ "0", "0", "-1",], [ "0", "-1", "0",], [ "1", "0", "0",],], [ [ "0", "0", "-1",], [ "0", "1", "0",], [ "-1", "0", "0",],], [ [ "0", "0", "1",], [ "0", "-1", "0",], [ "-1", "0", "0",],], [ [ "0", "0", "1",], [ "0", "1", "0",], [ "1", "0", "0",],],]
electronic_band_structure = "BandStructure(path=BandPath(path='GXMGRXMR', cell=[3x3], special_points={GMRX}, kpts=[28x3]), energies=[1x28x41 values], reference=10.5995)"
electronic_band_structure_3d = "BandStructure(path=BandPath(path='Kpt0Kpt1Kpt2Kpt3Kpt4Kpt5Kpt6Kpt7Kpt8Kpt9Kpt10Kpt11Kpt12Kpt13Kpt14Kpt15Kpt16Kpt17Kpt18Kpt19Kpt20Kpt21Kpt22Kpt23Kpt24Kpt25Kpt26Kpt27Kpt28Kpt29Kpt30Kpt31Kpt32Kpt33Kpt34Kpt35Kpt36Kpt37Kpt38Kpt39Kpt40Kpt41Kpt42Kpt43Kpt44Kpt45Kpt46Kpt47Kpt48Kpt49Kpt50Kpt51Kpt52Kpt53Kpt54Kpt55Kpt56Kpt57Kpt58Kpt59Kpt60Kpt61Kpt62Kpt63Kpt64Kpt65Kpt66Kpt67Kpt68Kpt69Kpt70Kpt71Kpt72Kpt73Kpt74Kpt75Kpt76Kpt77Kpt78Kpt79Kpt80Kpt81Kpt82Kpt83Kpt84Kpt85Kpt86Kpt87Kpt88Kpt89Kpt90Kpt91Kpt92Kpt93Kpt94Kpt95Kpt96Kpt97Kpt98Kpt99Kpt100Kpt101Kpt102Kpt103Kpt104Kpt105Kpt106Kpt107Kpt108Kpt109Kpt110Kpt111Kpt112Kpt113Kpt114Kpt115Kpt116Kpt117Kpt118Kpt119Kpt120Kpt121Kpt122Kpt123Kpt124Kpt125Kpt126Kpt127Kpt128Kpt129Kpt130Kpt131Kpt132Kpt133Kpt134Kpt135Kpt136Kpt137Kpt138Kpt139Kpt140Kpt141Kpt142Kpt143Kpt144Kpt145Kpt146Kpt147Kpt148Kpt149Kpt150Kpt151Kpt152Kpt153Kpt154Kpt155Kpt156Kpt157Kpt158Kpt159Kpt160Kpt161Kpt162Kpt163Kpt164Kpt165Kpt166Kpt167Kpt168Kpt169Kpt170Kpt171Kpt172Kpt173Kpt174Kpt175Kpt176Kpt177Kpt178Kpt179Kpt180Kpt181Kpt182Kpt183Kpt184Kpt185Kpt186Kpt187Kpt188Kpt189Kpt190Kpt191Kpt192Kpt193Kpt194Kpt195Kpt196Kpt197Kpt198Kpt199', cell=[3x3], special_points={GKpt0Kpt1Kpt10Kpt100Kpt101Kpt102Kpt103Kpt104Kpt105Kpt106Kpt107Kpt108Kpt109Kpt11Kpt110Kpt111Kpt112Kpt113Kpt114Kpt115Kpt116Kpt117Kpt118Kpt119Kpt12Kpt120Kpt121Kpt122Kpt123Kpt124Kpt125Kpt126Kpt127Kpt128Kpt129Kpt13Kpt130Kpt131Kpt132Kpt133Kpt134Kpt135Kpt136Kpt137Kpt138Kpt139Kpt14Kpt140Kpt141Kpt142Kpt143Kpt144Kpt145Kpt146Kpt147Kpt148Kpt149Kpt15Kpt150Kpt151Kpt152Kpt153Kpt154Kpt155Kpt156Kpt157Kpt158Kpt159Kpt16Kpt160Kpt161Kpt162Kpt163Kpt164Kpt165Kpt166Kpt167Kpt168Kpt169Kpt17Kpt170Kpt171Kpt172Kpt173Kpt174Kpt175Kpt176Kpt177Kpt178Kpt179Kpt18Kpt180Kpt181Kpt182Kpt183Kpt184Kpt185Kpt186Kpt187Kpt188Kpt189Kpt19Kpt190Kpt191Kpt192Kpt193Kpt194Kpt195Kpt196Kpt197Kpt198Kpt199Kpt2Kpt20Kpt21Kpt22Kpt23Kpt24Kpt25Kpt26Kpt27Kpt28Kpt29Kpt3Kpt30Kpt31Kpt32Kpt33Kpt34Kpt35Kpt36Kpt37Kpt38Kpt39Kpt4Kpt40Kpt41Kpt42Kpt43Kpt44Kpt45Kpt46Kpt47Kpt48Kpt49Kpt5Kpt50Kpt51Kpt52Kpt53Kpt54Kpt55Kpt56Kpt57Kpt58Kpt59Kpt6Kpt60Kpt61Kpt62Kpt63Kpt64Kpt65Kpt66Kpt67Kpt68Kpt69Kpt7Kpt70Kpt71Kpt72Kpt73Kpt74Kpt75Kpt76Kpt77Kpt78Kpt79Kpt8Kpt80Kpt81Kpt82Kpt83Kpt84Kpt85Kpt86Kpt87Kpt88Kpt89Kpt9Kpt90Kpt91Kpt92Kpt93Kpt94Kpt95Kpt96Kpt97Kpt98Kpt99MRX}, kpts=[1000x3]), energies=[1x1000x41 values], reference=10.0738)"

[ground_state]
kinetic_energy = 0.0
potential_energy = -13789.311098394406
stress = [ "3.244554163232906", "3.244554163232906", "3.244554163232906", "-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",],]
total_energy = -13789.311098394406
angular_momentum = [ "0.0", "0.0", "0.0",]
moments_of_inertia = [ "712.6955555034242", "712.6955555034242", "712.6955555034242",]
center_of_mass = [ "1.05828", "1.05828", "1.05828",]
Fermi_level = 10.1582

[electronic_dos]
energy = [ "-21.1132", "-21.02986575", "-20.9465315", "-20.86319725", "-20.779863", "-20.69652875", "-20.6131945", "-20.52986025", "-20.446526", "-20.36319175", "-20.2798575", "-20.19652325", "-20.113189", "-20.02985475", "-19.9465205", "-19.86318625", "-19.779851999999998", "-19.696517749999998", "-19.613183499999998", "-19.529849249999998", "-19.446514999999998", "-19.363180749999998", "-19.279846499999998", "-19.196512249999998", "-19.113177999999998", "-19.029843749999998", "-18.946509499999998", "-18.863175249999998", "-18.779840999999998", "-18.69650675", "-18.6131725", "-18.52983825", "-18.446504", "-18.36316975", "-18.2798355", "-18.19650125", "-18.113167", "-18.02983275", "-17.9464985", "-17.86316425", "-17.77983", "-17.69649575", "-17.6131615", "-17.52982725", "-17.446493", "-17.36315875", "-17.2798245", "-17.19649025", "-17.113156", "-17.02982175", "-16.9464875", "-16.86315325", "-16.779819", "-16.69648475", "-16.6131505", "-16.52981625", "-16.446482", "-16.36314775", 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energy_unit = "eV"
Fermi_level = 10.1582
title = "Cu4O4 e-DOS [QUANTUMESPRESSO]"
