atomic_numbers = [ "np.int64(13)", "np.int64(13)", "np.int64(13)", "np.int64(13)",]
atomic_density = "np.float64(0.06093749643776198)"
cell = [ [ "np.float64(4.0339)", "np.float64(0.0)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(4.0339)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(0.0)", "np.float64(4.0339)",],]
cell_parameters = [ "np.float64(4.0339)", "np.float64(4.0339)", "np.float64(4.0339)", "np.float64(90.0)", "np.float64(90.0)", "np.float64(90.0)",]
cell_scaled_unit = [ [ "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(0.5)", "np.float64(0.5)",], [ "np.float64(0.5)", "np.float64(0.0)", "np.float64(0.5)",], [ "np.float64(0.5)", "np.float64(0.5)", "np.float64(0.0)",],]
chemical_formula = "Al4"
chemical_symbols = [ "Al", "Al", "Al", "Al",]
density = "np.float64(43.68481982674428)"
masses = [ "np.float64(26.9815385)", "np.float64(26.9815385)", "np.float64(26.9815385)", "np.float64(26.9815385)",]
scattering_length_neutron = [ "np.complex64(3.449+0j)", "np.complex64(3.449+0j)", "np.complex64(3.449+0j)", "np.complex64(3.449+0j)",]
scattering_length_xray = [ "np.complex64(0.07219943-0.07970184j)", "np.complex64(0.07219943-0.07970184j)", "np.complex64(0.07219943-0.07970184j)", "np.complex64(0.07219943-0.07970184j)",]
positions = [ [ "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(2.01695)", "np.float64(2.01695)",], [ "np.float64(2.01695)", "np.float64(0.0)", "np.float64(2.01695)",], [ "np.float64(2.01695)", "np.float64(2.01695)", "np.float64(0.0)",],]
reciprocal_cell = [ [ "np.float64(1.557595703165671)", "np.float64(0.0)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(1.557595703165671)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(0.0)", "np.float64(1.557595703165671)",],]
spacegroup = "F m -3 m"
spacegroup_number = 225
spacegroup_rotations = [ [ [ "np.int64(1)", "np.int64(0)", "np.int64(0)",], [ "np.int64(0)", "np.int64(1)", "np.int64(0)",], [ "np.int64(0)", "np.int64(0)", "np.int64(1)",],], [ [ "np.int64(-1)", "np.int64(0)", "np.int64(0)",], [ "np.int64(0)", "np.int64(-1)", "np.int64(0)",], [ "np.int64(0)", "np.int64(0)", "np.int64(1)",],], [ [ "np.int64(-1)", "np.int64(0)", "np.int64(0)",], [ "np.int64(0)", "np.int64(1)", "np.int64(0)",], [ "np.int64(0)", "np.int64(0)", "np.int64(-1)",],], [ [ "np.int64(1)", "np.int64(0)", "np.int64(0)",], [ "np.int64(0)", "np.int64(-1)", "np.int64(0)",], [ "np.int64(0)", "np.int64(0)", "np.int64(-1)",],], [ [ "np.int64(0)", "np.int64(0)", "np.int64(1)",], [ "np.int64(1)", "np.int64(0)", "np.int64(0)",], [ "np.int64(0)", "np.int64(1)", "np.int64(0)",],], [ [ "np.int64(0)", "np.int64(0)", "np.int64(1)",], [ "np.int64(-1)", "np.int64(0)", "np.int64(0)",], [ "np.int64(0)", "np.int64(-1)", "np.int64(0)",],], [ [ "np.int64(0)", "np.int64(0)", "np.int64(-1)",], [ "np.int64(-1)", "np.int64(0)", "np.int64(0)",], [ "np.int64(0)", "np.int64(1)", "np.int64(0)",],], [ [ "np.int64(0)", "np.int64(0)", "np.int64(-1)",], [ "np.int64(1)", "np.int64(0)", "np.int64(0)",], [ "np.int64(0)", "np.int64(-1)", "np.int64(0)",],], [ [ "np.int64(0)", "np.int64(1)", "np.int64(0)",], [ "np.int64(0)", "np.int64(0)", "np.int64(1)",], [ "np.int64(1)", "np.int64(0)", "np.int64(0)",],], [ [ "np.int64(0)", "np.int64(-1)", "np.int64(0)",], [ "np.int64(0)", "np.int64(0)", "np.int64(1)",], [ "np.int64(-1)", "np.int64(0)", "np.int64(0)",],], [ [ "np.int64(0)", "np.int64(1)", "np.int64(0)",], [ "np.int64(0)", "np.int64(0)", "np.int64(-1)",], [ "np.int64(-1)", "np.int64(0)", "np.int64(0)",],], [ [ "np.int64(0)", "np.int64(-1)", "np.int64(0)",], [ "np.int64(0)", "np.int64(0)", "np.int64(-1)",], [ "np.int64(1)", "np.int64(0)", "np.int64(0)",],], [ [ "np.int64(0)", "np.int64(1)", "np.int64(0)",], [ "np.int64(1)", "np.int64(0)", "np.int64(0)",], [ "np.int64(0)", "np.int64(0)", "np.int64(-1)",],], [ [ "np.int64(0)", "np.int64(-1)", "np.int64(0)",], [ "np.int64(-1)", "np.int64(0)", "np.int64(0)",], [ "np.int64(0)", "np.int64(0)", "np.int64(-1)",],], [ [ "np.int64(0)", "np.int64(1)", "np.int64(0)",], [ "np.int64(-1)", "np.int64(0)", "np.int64(0)",], [ "np.int64(0)", "np.int64(0)", "np.int64(1)",],], [ [ "np.int64(0)", "np.int64(-1)", "np.int64(0)",], [ "np.int64(1)", "np.int64(0)", "np.int64(0)",], [ "np.int64(0)", "np.int64(0)", "np.int64(1)",],], [ [ "np.int64(1)", "np.int64(0)", "np.int64(0)",], [ "np.int64(0)", "np.int64(0)", "np.int64(1)",], [ "np.int64(0)", "np.int64(-1)", "np.int64(0)",],], [ [ "np.int64(-1)", "np.int64(0)", "np.int64(0)",], [ "np.int64(0)", "np.int64(0)", "np.int64(1)",], [ "np.int64(0)", "np.int64(1)", "np.int64(0)",],], [ [ "np.int64(-1)", "np.int64(0)", "np.int64(0)",], [ "np.int64(0)", "np.int64(0)", "np.int64(-1)",], [ "np.int64(0)", "np.int64(-1)", "np.int64(0)",],], [ [ "np.int64(1)", "np.int64(0)", "np.int64(0)",], [ 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"np.int64(0)", "np.int64(1)", "np.int64(0)",], [ "np.int64(-1)", "np.int64(0)", "np.int64(0)",],], [ [ "np.int64(0)", "np.int64(0)", "np.int64(1)",], [ "np.int64(0)", "np.int64(-1)", "np.int64(0)",], [ "np.int64(-1)", "np.int64(0)", "np.int64(0)",],], [ [ "np.int64(0)", "np.int64(0)", "np.int64(1)",], [ "np.int64(0)", "np.int64(1)", "np.int64(0)",], [ "np.int64(1)", "np.int64(0)", "np.int64(0)",],],]
volume = "np.float64(65.64102947821901)"
weight = "np.float64(107.926154)"

[ground_state]
angular_momentum = [ "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)",]
center_of_mass = [ "np.float64(1.008475)", "np.float64(1.008475)", "np.float64(1.008475)",]
Fermi_level = 7.6481
kinetic_energy = 0.0
momenta = [ [ "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)",],]
moments_of_inertia = [ "np.float64(219.5265083475298)", "np.float64(219.5265083475298)", "np.float64(219.5265083475298)",]
potential_energy = -2149.60798002934
stress = [ "np.float64(-0.003132753783060529)", "np.float64(-0.003132753783060529)", "np.float64(-0.003132753783060529)", "np.float64(-0.0)", "np.float64(-0.0)", "np.float64(-0.0)",]
total_energy = -2149.60798002934

[electronic_dos]
energy = [ "np.float64(-11.360100000000001)", "np.float64(-11.300981)", "np.float64(-11.241862000000001)", "np.float64(-11.182743)", "np.float64(-11.123624000000001)", "np.float64(-11.064505)", "np.float64(-11.005386000000001)", "np.float64(-10.946267)", "np.float64(-10.887148000000002)", "np.float64(-10.828029)", "np.float64(-10.768910000000002)", "np.float64(-10.709791000000001)", "np.float64(-10.650672)", "np.float64(-10.591553000000001)", "np.float64(-10.532434)", "np.float64(-10.473315000000001)", "np.float64(-10.414196)", "np.float64(-10.355077000000001)", "np.float64(-10.295958)", "np.float64(-10.236839)", "np.float64(-10.17772)", "np.float64(-10.118601)", "np.float64(-10.059482000000001)", "np.float64(-10.000363)", "np.float64(-9.941244000000001)", "np.float64(-9.882125)", "np.float64(-9.823006000000001)", "np.float64(-9.763887)", "np.float64(-9.704768000000001)", "np.float64(-9.645649)", "np.float64(-9.58653)", "np.float64(-9.527411)", "np.float64(-9.468292)", 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"np.float64(3.2975965876886454e-92)", "np.float64(6.495839116970821e-85)", "np.float64(6.360993094156498e-78)", "np.float64(3.0964680716816215e-71)", "np.float64(7.493080401318465e-65)", "np.float64(9.013767786029987e-59)", "np.float64(5.390196573663835e-53)", "np.float64(1.602341873277922e-47)", "np.float64(2.3678717277531952e-42)", "np.float64(1.7394567760694106e-37)", "np.float64(6.352163291718953e-33)", "np.float64(1.1531406160309927e-28)", "np.float64(1.0406280877953205e-24)", "np.float64(4.668329803504546e-21)", "np.float64(1.0410708255753927e-17)", "np.float64(1.1541222845368304e-14)", "np.float64(6.3602798107159224e-12)", "np.float64(1.7424226145221961e-09)", "np.float64(2.3729232408110151e-07)", "np.float64(1.6064485587765595e-05)", "np.float64(0.0005406334634482537)", "np.float64(0.009044655117808718)", "np.float64(0.07522013405353241)", "np.float64(0.3109776740364485)", "np.float64(0.6391125463929737)", "np.float64(0.6529478621217775)", "np.float64(0.33161387541896414)", "np.float64(0.0837220605750242)", "np.float64(0.01050751793978726)", "np.float64(0.0006555614035148329)", "np.float64(2.033197659675568e-05)", "np.float64(3.134720285126755e-07)", "np.float64(2.402541684752495e-09)", "np.float64(9.153685450709353e-12)",]
energy_unit = "eV"
type = "electronic_dos"
Fermi_level = 7.6481
title = "Al4 e-DOS in eV wrt Fermi Level 7.6481 [ESPRESSO]"

[electronic_band_structure]
title = "Al4 electronic band structure 1d in eV [ESPRESSO]"
type = "electronic_band_structure_1d"
energies = [ [ "np.float64(-3.2127)", "np.float64(5.0213)", "np.float64(5.0213)", "np.float64(5.0213)", "np.float64(6.3992)", "np.float64(6.3992)", "np.float64(6.4005)", "np.float64(13.5852)", "np.float64(13.5855)", "np.float64(13.586)",], [ "np.float64(-3.2112)", "np.float64(4.9874)", "np.float64(5.0227)", "np.float64(5.0227)", "np.float64(6.4006)", "np.float64(6.4014)", "np.float64(6.4362)", "np.float64(13.2478)", "np.float64(13.2495)", "np.float64(13.5749)",], [ "np.float64(-3.2067)", "np.float64(4.8946)", "np.float64(5.0269)", "np.float64(5.0269)", "np.float64(6.405)", "np.float64(6.4058)", "np.float64(6.5369)", "np.float64(13.0409)", "np.float64(13.051)", "np.float64(13.5419)",], [ "np.float64(-3.1992)", "np.float64(4.7613)", "np.float64(5.0337)", "np.float64(5.0338)", "np.float64(6.4122)", "np.float64(6.413)", "np.float64(6.6833)", "np.float64(12.8338)", "np.float64(12.8354)", "np.float64(13.4857)",], [ "np.float64(-3.1888)", "np.float64(4.6035)", "np.float64(5.0434)", 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Fermi_level = 7.5093
HKL = [ [ "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(0.012820500000000002)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(0.025641000000000004)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(0.0384615)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(0.0512821)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(0.0641026)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(0.0769231)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(0.08974359999999999)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(0.10256410000000002)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(0.11538460000000002)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(0.1282051)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(0.1410256)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(0.1538462)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(0.1666667)", "np.float64(0.0)",], [ 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energy_unit = "eV"
arpes_I = [ [ "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)", 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arpes_gap = "np.float64(0.009400000000000297)"

[electronic_band_structure.band_structure]
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_reference = 7.5093

[electronic_band_structure.bandpath]
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_path = "GXMGRX,MR"

[electronic_band_structure.special_points]
G = [ "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)",]
M = [ "np.float64(0.5)", "np.float64(0.5)", "np.float64(0.0)",]
R = [ "np.float64(0.5)", "np.float64(0.5)", "np.float64(0.5)",]
X = [ "np.float64(0.0)", "np.float64(0.5)", "np.float64(0.0)",]

[electronic_band_structure.bandpath._special_points]
G = [ "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)",]
M = [ "np.float64(0.5)", "np.float64(0.5)", "np.float64(0.0)",]
R = [ "np.float64(0.5)", "np.float64(0.5)", "np.float64(0.5)",]
X = [ "np.float64(0.0)", "np.float64(0.5)", "np.float64(0.0)",]
