reciprocal_cell = [ [ "1.5114710866009142", "0.0", "0.0",], [ "0.0", "1.5114710866009142", "0.0",], [ "0.0", "0.0", "1.5114710866009142",],]
cell = [ [ "4.157", "0.0", "0.0",], [ "0.0", "4.157", "0.0",], [ "0.0", "0.0", "4.157",],]
volume = "71.835657893"
chemical_formula = "B6La"
chemical_symbols = [ "La", "B", "B", "B", "B", "B", "B",]
cell_scaled_unit = [ [ "0.0", "0.0", "0.0",], [ "0.1975", "0.5", "0.5",], [ "0.5", "0.5", "0.1975",], [ "0.5", "0.1975", "0.5",], [ "0.5", "0.5", "0.8025000000000001",], [ "0.5", "0.8025000000000001", "0.5",], [ "0.8025000000000001", "0.5", "0.5",],]
masses = [ "138.90547", "10.81", "10.81", "10.81", "10.81", "10.81", "10.81",]
positions = [ [ "0.0", "0.0", "0.0",], [ "0.8210075", "2.0785", "2.0785",], [ "2.0785", "2.0785", "0.8210075",], [ "2.0785", "0.8210075", "2.0785",], [ "2.0785", "2.0785", "3.3359925",], [ "2.0785", "3.3359925", "2.0785",], [ "3.3359925", "2.0785", "2.0785",],]
atomic_numbers = [ "57", "5", "5", "5", "5", "5", "5",]
spacegroup = "P m -3 m"
spacegroup_number = 221
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=[29x3]), energies=[1x29x19 values], reference=12.3696)"

[ground_state]
kinetic_energy = 0.0
potential_energy = -6768.285404081364
stress = [ "0.021875105182126937", "0.021875105182126937", "0.021875105182126937", "-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",],]
total_energy = -6768.285404081364
angular_momentum = [ "0.0", "0.0", "0.0",]
moments_of_inertia = [ "68.37486663793216", "641.417606278548", "641.4176062785481",]
center_of_mass = [ "0.6616013498263469", "0.6616013498263469", "0.6616013498263469",]
Fermi_level = 12.4597

[electronic_dos]
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energy_unit = "eV"
Fermi_level = 12.4597
title = "B6La e-DOS [QUANTUMESPRESSO]"
