reciprocal_cell = [ [ "1.0619946769995268", "0.0", "0.0",], [ "0.0", "1.0619946769995268", "0.0",], [ "0.0", "0.0", "0.9033405660268853",],]
cell = [ [ "5.9164", "0.0", "0.0",], [ "0.0", "5.9164", "0.0",], [ "0.0", "0.0", "6.9555",],]
volume = "243.46885411128008"
chemical_formula = "Ge12"
chemical_symbols = [ "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge",]
cell_scaled_unit = [ [ "0.17499999999999996", "0.369", "0.258",], [ "0.131", "0.6749999999999999", "0.008000000000000007",], [ "0.8250000000000001", "0.631", "0.758",], [ "0.869", "0.32500000000000007", "0.508",], [ "0.6749999999999999", "0.131", "0.992",], [ "0.369", "0.17499999999999996", "0.742",], [ "0.32500000000000007", "0.869", "0.492",], [ "0.631", "0.8250000000000001", "0.242",], [ "0.09000000000000001", "0.09000000000000001", "0.0",], [ "0.4099999999999999", "0.59", "0.75",], [ "0.91", "0.91", "0.5",], [ "0.59", "0.4099999999999999", "0.25",],]
masses = [ "72.63", "72.63", "72.63", "72.63", "72.63", "72.63", "72.63", "72.63", "72.63", "72.63", "72.63", "72.63",]
positions = [ [ "1.03537", "2.1831516", "1.794519",], [ "0.7750484000000001", "3.9935699999999996", "0.05564400000000005",], [ "4.881030000000001", "3.7332484000000004", "5.272269",], [ "5.1413516", "1.9228300000000005", "3.533394",], [ "3.9935699999999996", "0.7750484000000001", "6.899856",], [ "2.1831516", "1.03537", "5.160981",], [ "1.9228300000000005", "5.1413516", "3.422106",], [ "3.7332484000000004", "4.881030000000001", "1.683231",], [ "0.5324760000000001", "0.5324760000000001", "0.0",], [ "2.4257239999999998", "3.490676", "5.216625",], [ "5.383924", "5.383924", "3.47775",], [ "3.490676", "2.4257239999999998", "1.738875",],]
atomic_numbers = [ "32", "32", "32", "32", "32", "32", "32", "32", "32", "32", "32", "32",]
spacegroup = "P 43 21 2"
spacegroup_number = 96
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=[25x3]), energies=[1x25x101 values], reference=3.107)"

[ground_state]
kinetic_energy = 0.0
potential_energy = -30249.566905083113
stress = [ "50.55554686391623", "50.55554686391623", "50.40989676694428", "-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",], [ "0.0", "0.0", "0.0",], [ "0.0", "0.0", "0.0",], [ "0.0", "0.0", "0.0",],]
total_energy = -30249.566905083113
angular_momentum = [ "0.0", "0.0", "0.0",]
moments_of_inertia = [ "3724.0971067094183", "5845.396577056512", "7554.380152462517",]
center_of_mass = [ "2.9582", "2.9582", "3.1879375000000003",]
Fermi_level = 3.0765

[electronic_dos]
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energy_unit = "eV"
Fermi_level = 3.0765
title = "Ge12 e-DOS [QUANTUMESPRESSO]"
