reciprocal_cell = [ [ "1.6131412854942233", "0.0", "0.0",], [ "0.0", "1.6131412854942233", "0.0",], [ "0.0", "0.0", "1.5063978199472547",],]
cell = [ [ "3.895", "0.0", "0.0",], [ "0.0", "3.895", "0.0",], [ "0.0", "0.0", "4.171",],]
volume = "63.27834527500002"
chemical_formula = "O3PbTi"
chemical_symbols = [ "Pb", "Ti", "O", "O", "O",]
cell_scaled_unit = [ [ "0.0", "0.0", "0.0",], [ "0.5", "0.5", "0.54",], [ "0.5", "0.5", "0.118",], [ "0.5", "0.0", "0.6210000000000002",], [ "0.0", "0.5", "0.6210000000000002",],]
masses = [ "207.2", "47.867", "15.999", "15.999", "15.999",]
positions = [ [ "0.0", "0.0", "0.0",], [ "1.9475", "1.9475", "2.2523400000000002",], [ "1.9475", "1.9475", "0.492178",], [ "1.9475", "0.0", "2.590191000000001",], [ "0.0", "1.9475", "2.590191000000001",],]
atomic_numbers = [ "82", "22", "8", "8", "8",]
spacegroup = "P 4 m m"
spacegroup_number = 99
spacegroup_rotations = [ [ [ "1", "0", "0",], [ "0", "1", "0",], [ "0", "0", "1",],], [ [ "-1", "0", "0",], [ "0", "-1", "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", "-1", "0",], [ "0", "0", "1",],], [ [ "-1", "0", "0",], [ "0", "1", "0",], [ "0", "0", "1",],], [ [ "0", "-1", "0",], [ "-1", "0", "0",], [ "0", "0", "1",],], [ [ "0", "1", "0",], [ "1", "0", "0",], [ "0", "0", "1",],],]
electronic_band_structure = "BandStructure(path=BandPath(path='GXMGZRAZXRMA', cell=[3x3], special_points={AGMRXZ}, kpts=[39x3]), energies=[1x39x26 values], reference=11.3196)"
electronic_band_structure_3d = "BandStructure(path=BandPath(path='Kpt0Kpt1Kpt2Kpt3Kpt4Kpt5Kpt6Kpt7Kpt8Kpt9Kpt10Kpt11Kpt12Kpt13Kpt14Kpt15Kpt16Kpt17Kpt18Kpt19Kpt20Kpt21Kpt22Kpt23Kpt24Kpt25Kpt26Kpt27Kpt28Kpt29Kpt30Kpt31Kpt32Kpt33Kpt34Kpt35Kpt36Kpt37Kpt38Kpt39Kpt40Kpt41Kpt42Kpt43Kpt44Kpt45Kpt46Kpt47Kpt48Kpt49Kpt50Kpt51Kpt52Kpt53Kpt54Kpt55Kpt56Kpt57Kpt58Kpt59Kpt60Kpt61Kpt62Kpt63Kpt64Kpt65Kpt66Kpt67Kpt68Kpt69Kpt70Kpt71Kpt72Kpt73Kpt74Kpt75Kpt76Kpt77Kpt78Kpt79Kpt80Kpt81Kpt82Kpt83Kpt84Kpt85Kpt86Kpt87Kpt88Kpt89Kpt90Kpt91Kpt92Kpt93Kpt94Kpt95Kpt96Kpt97Kpt98Kpt99Kpt100Kpt101Kpt102Kpt103Kpt104Kpt105Kpt106Kpt107Kpt108Kpt109Kpt110Kpt111Kpt112Kpt113Kpt114Kpt115Kpt116Kpt117Kpt118Kpt119Kpt120Kpt121Kpt122Kpt123Kpt124Kpt125Kpt126Kpt127Kpt128Kpt129Kpt130Kpt131Kpt132Kpt133Kpt134Kpt135Kpt136Kpt137Kpt138Kpt139Kpt140Kpt141Kpt142Kpt143Kpt144Kpt145Kpt146Kpt147Kpt148Kpt149Kpt150Kpt151Kpt152Kpt153Kpt154Kpt155Kpt156Kpt157Kpt158Kpt159Kpt160Kpt161Kpt162Kpt163Kpt164Kpt165Kpt166Kpt167Kpt168Kpt169Kpt170Kpt171Kpt172Kpt173Kpt174Kpt175Kpt176Kpt177Kpt178Kpt179Kpt180Kpt181Kpt182Kpt183Kpt184Kpt185Kpt186Kpt187Kpt188Kpt189Kpt190Kpt191Kpt192Kpt193Kpt194Kpt195Kpt196Kpt197Kpt198Kpt199', cell=[3x3], special_points={AGKpt0Kpt1Kpt10Kpt100Kpt101Kpt102Kpt103Kpt104Kpt105Kpt106Kpt107Kpt108Kpt109Kpt11Kpt110Kpt111Kpt112Kpt113Kpt114Kpt115Kpt116Kpt117Kpt118Kpt119Kpt12Kpt120Kpt121Kpt122Kpt123Kpt124Kpt125Kpt126Kpt127Kpt128Kpt129Kpt13Kpt130Kpt131Kpt132Kpt133Kpt134Kpt135Kpt136Kpt137Kpt138Kpt139Kpt14Kpt140Kpt141Kpt142Kpt143Kpt144Kpt145Kpt146Kpt147Kpt148Kpt149Kpt15Kpt150Kpt151Kpt152Kpt153Kpt154Kpt155Kpt156Kpt157Kpt158Kpt159Kpt16Kpt160Kpt161Kpt162Kpt163Kpt164Kpt165Kpt166Kpt167Kpt168Kpt169Kpt17Kpt170Kpt171Kpt172Kpt173Kpt174Kpt175Kpt176Kpt177Kpt178Kpt179Kpt18Kpt180Kpt181Kpt182Kpt183Kpt184Kpt185Kpt186Kpt187Kpt188Kpt189Kpt19Kpt190Kpt191Kpt192Kpt193Kpt194Kpt195Kpt196Kpt197Kpt198Kpt199Kpt2Kpt20Kpt21Kpt22Kpt23Kpt24Kpt25Kpt26Kpt27Kpt28Kpt29Kpt3Kpt30Kpt31Kpt32Kpt33Kpt34Kpt35Kpt36Kpt37Kpt38Kpt39Kpt4Kpt40Kpt41Kpt42Kpt43Kpt44Kpt45Kpt46Kpt47Kpt48Kpt49Kpt5Kpt50Kpt51Kpt52Kpt53Kpt54Kpt55Kpt56Kpt57Kpt58Kpt59Kpt6Kpt60Kpt61Kpt62Kpt63Kpt64Kpt65Kpt66Kpt67Kpt68Kpt69Kpt7Kpt70Kpt71Kpt72Kpt73Kpt74Kpt75Kpt76Kpt77Kpt78Kpt79Kpt8Kpt80Kpt81Kpt82Kpt83Kpt84Kpt85Kpt86Kpt87Kpt88Kpt89Kpt9Kpt90Kpt91Kpt92Kpt93Kpt94Kpt95Kpt96Kpt97Kpt98Kpt99MRXZ}, kpts=[1000x3]), energies=[1x1000x26 values], reference=11.2579)"

[ground_state]
kinetic_energy = 0.0
potential_energy = -15170.838482518784
stress = [ "0.16420330790226995", "0.16420330790226995", "0.15687457381774791", "-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",],]
total_energy = -15170.838482518784
angular_momentum = [ "0.0", "0.0", "0.0",]
moments_of_inertia = [ "129.15796522903344", "708.9731624895581", "716.7705132310919",]
center_of_mass = [ "0.5132153192065041", "0.5132153192065041", "0.6552016940976164",]
Fermi_level = 12.2071

[electronic_dos]
energy = [ "-58.908100000000005", "-58.75063600000001", "-58.593172", "-58.435708000000005", "-58.27824400000001", "-58.12078", "-57.963316000000006", "-57.805852", "-57.648388000000004", "-57.49092400000001", "-57.33346", "-57.175996000000005", "-57.01853200000001", "-56.861068", "-56.703604000000006", "-56.54614", "-56.388676000000004", "-56.231212000000006", "-56.073748", "-55.916284000000005", "-55.75882000000001", "-55.601356", "-55.443892000000005", "-55.286428", "-55.128964", "-54.971500000000006", "-54.814036", "-54.656572000000004", "-54.49910800000001", "-54.341644", "-54.184180000000005", "-54.02671600000001", "-53.869252", "-53.711788000000006", "-53.554324", "-53.396860000000004", "-53.239396000000006", "-53.081932", "-52.924468000000005", "-52.767004", "-52.60954", "-52.452076000000005", "-52.294612", "-52.137148", "-51.979684000000006", "-51.82222", "-51.664756000000004", "-51.50729200000001", "-51.349828", "-51.192364000000005", "-51.03490000000001", "-50.877436", 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energy_unit = "eV"
Fermi_level = 12.2071
title = "O3PbTi e-DOS [QUANTUMESPRESSO]"
