atomic_numbers = [ "np.int64(41)", "np.int64(41)", "np.int64(41)", "np.int64(41)", "np.int64(41)", "np.int64(41)", "np.int64(28)", "np.int64(28)", "np.int64(16)", "np.int64(16)", "np.int64(16)", "np.int64(16)", "np.int64(16)", "np.int64(16)", "np.int64(16)", "np.int64(16)", "np.int64(16)", "np.int64(16)", "np.int64(16)", "np.int64(16)",]
atomic_density = "np.float64(0.05845820128463142)"
cell = [ [ "np.float64(5.7629)", "np.float64(0.0)", "np.float64(0.0)",], [ "np.float64(-2.8814499999999987)", "np.float64(4.990817799469342)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(0.0)", "np.float64(11.8952)",],]
cell_parameters = [ "np.float64(5.7629)", "np.float64(5.7629)", "np.float64(11.8952)", "np.float64(90.0)", "np.float64(90.0)", "np.float64(119.99999999999999)",]
cell_scaled_unit = [ [ "np.float64(0.333333)", "np.float64(0.666667)", "np.float64(0.50222)",], [ "np.float64(0.666667)", "np.float64(0.333333)", "np.float64(0.0022199999999998887)",], [ "np.float64(0.666667)", "np.float64(0.333333)", "np.float64(0.49778000000000006)",], [ "np.float64(0.333333)", "np.float64(0.666667)", "np.float64(0.99778)",], [ "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.5)",], [ "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)",], [ "np.float64(0.666667)", "np.float64(0.333333)", "np.float64(0.75)",], [ "np.float64(0.333333)", "np.float64(0.666667)", "np.float64(0.25)",], [ "np.float64(0.66759)", "np.float64(0.66847)", "np.float64(0.63199)",], [ "np.float64(0.33153)", "np.float64(0.99912)", "np.float64(0.63199)",], [ "np.float64(0.0008799999999999954)", "np.float64(0.33241)", "np.float64(0.63199)",], [ "np.float64(0.33241)", "np.float64(0.33153)", "np.float64(0.13199000000000005)",], [ "np.float64(0.66847)", "np.float64(0.0008799999999999919)", "np.float64(0.13199000000000005)",], [ "np.float64(0.99912)", "np.float64(0.66759)", "np.float64(0.13199000000000005)",], [ "np.float64(0.66847)", "np.float64(0.66759)", "np.float64(0.36801)",], [ "np.float64(0.99912)", "np.float64(0.33153)", "np.float64(0.36801)",], [ "np.float64(0.33241)", "np.float64(0.0008799999999999919)", "np.float64(0.36801)",], [ "np.float64(0.33153)", "np.float64(0.33241)", "np.float64(0.8680100000000001)",], [ "np.float64(0.0008799999999999761)", "np.float64(0.66847)", "np.float64(0.8680100000000001)",], [ "np.float64(0.66759)", "np.float64(0.99912)", "np.float64(0.8680100000000001)",],]
chemical_formula = "Nb6Ni2S12"
chemical_symbols = [ "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Ni", "Ni", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S",]
density = "np.float64(2057.093857498798)"
masses = [ "np.float64(92.90637)", "np.float64(92.90637)", "np.float64(92.90637)", "np.float64(92.90637)", "np.float64(92.90637)", "np.float64(92.90637)", "np.float64(58.6934)", "np.float64(58.6934)", "np.float64(32.06)", "np.float64(32.06)", "np.float64(32.06)", "np.float64(32.06)", "np.float64(32.06)", "np.float64(32.06)", "np.float64(32.06)", "np.float64(32.06)", "np.float64(32.06)", "np.float64(32.06)", "np.float64(32.06)", "np.float64(32.06)",]
scattering_length_neutron = [ "np.complex64(7.054+0j)", "np.complex64(7.054+0j)", "np.complex64(7.054+0j)", "np.complex64(7.054+0j)", "np.complex64(7.054+0j)", "np.complex64(7.054+0j)", "np.complex64(10.3+0j)", "np.complex64(10.3+0j)", "np.complex64(2.847+0j)", "np.complex64(2.847+0j)", "np.complex64(2.847+0j)", "np.complex64(2.847+0j)", "np.complex64(2.847+0j)", "np.complex64(2.847+0j)", "np.complex64(2.847+0j)", "np.complex64(2.847+0j)", "np.complex64(2.847+0j)", "np.complex64(2.847+0j)", "np.complex64(2.847+0j)", "np.complex64(2.847+0j)",]
scattering_length_xray = [ "np.complex64(1.7536955-9.038477j)", "np.complex64(1.7536955-9.038477j)", "np.complex64(1.7536955-9.038477j)", "np.complex64(1.7536955-9.038477j)", "np.complex64(1.7536955-9.038477j)", "np.complex64(1.7536955-9.038477j)", "np.complex64(1.2678897-2.079517j)", "np.complex64(1.2678897-2.079517j)", "np.complex64(0.18932913-0.19940554j)", "np.complex64(0.18932913-0.19940554j)", "np.complex64(0.18932913-0.19940554j)", "np.complex64(0.18932913-0.19940554j)", "np.complex64(0.18932913-0.19940554j)", "np.complex64(0.18932913-0.19940554j)", "np.complex64(0.18932913-0.19940554j)", "np.complex64(0.18932913-0.19940554j)", "np.complex64(0.18932913-0.19940554j)", "np.complex64(0.18932913-0.19940554j)", "np.complex64(0.18932913-0.19940554j)", "np.complex64(0.18932913-0.19940554j)",]
positions = [ [ "np.float64(-2.8814499990969982e-06)", "np.float64(3.327213529918828)", "np.float64(5.974007344)",], [ "np.float64(2.8814528814500004)", "np.float64(1.6636042695505142)", "np.float64(0.026407343999998677)",], [ "np.float64(2.8814528814500004)", "np.float64(1.6636042695505142)", "np.float64(5.9211926560000006)",], [ "np.float64(-2.8814499990969982e-06)", "np.float64(3.327213529918828)", "np.float64(11.868792656)",], [ "np.float64(0.0)", "np.float64(0.0)", "np.float64(5.9476)",], [ "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)",], [ "np.float64(2.8814528814500004)", "np.float64(1.6636042695505142)", "np.float64(8.9214)",], [ "np.float64(-2.8814499990969982e-06)", "np.float64(3.327213529918828)", "np.float64(2.9738)",], [ "np.float64(1.921091529500001)", "np.float64(3.3362119744112713)", "np.float64(7.517647448000001)",], [ "np.float64(-0.9683400869999987)", "np.float64(4.986425879805809)", "np.float64(7.517647448000001)",], [ "np.float64(-0.9527514424999995)", "np.float64(1.658997744721604)", "np.float64(7.517647448000001)",], [ "np.float64(0.9603584705000003)", "np.float64(1.6546058250580709)", "np.float64(1.5700474480000006)",], [ "np.float64(3.849790087)", "np.float64(0.0043919196635329805)", "np.float64(1.5700474480000006)",], [ "np.float64(3.8342014425000013)", "np.float64(3.3318200547477383)", "np.float64(1.5700474480000006)",], [ "np.float64(1.9286985575000009)", "np.float64(3.3318200547477383)", "np.float64(4.377552552)",], [ "np.float64(4.802541529500001)", "np.float64(1.6546058250580709)", "np.float64(4.377552552)",], [ "np.float64(1.913109913)", "np.float64(0.0043919196635329805)", "np.float64(4.377552552)",], [ "np.float64(0.9527514425000005)", "np.float64(1.658997744721604)", "np.float64(10.325152552)",], [ "np.float64(-1.9210915294999993)", "np.float64(3.3362119744112713)", "np.float64(10.325152552)",], [ "np.float64(0.9683400870000014)", "np.float64(4.986425879805809)", "np.float64(10.325152552)",],]
reciprocal_cell = [ [ "np.float64(1.0902818558364713)", "np.float64(0.6294745229597514)", "np.float64(0.0)",], [ "np.float64(2.759400934564851e-16)", "np.float64(1.2589490459195025)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.5282118255262627)",],]
spacegroup = "C 2 2 21"
spacegroup_number = 20
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)",],],]
volume = "np.float64(342.12479276638254)"
weight = "np.float64(1059.5450199999998)"

[ground_state]
angular_momentum = [ "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)",]
center_of_mass = [ "np.float64(1.1880646082438293)", "np.float64(2.0577882641527268)", "np.float64(5.426083768238563)",]
Fermi_level = 11.6774
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)",], [ "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)",],]
moments_of_inertia = [ "np.float64(4188.045418735248)", "np.float64(17324.174093359252)", "np.float64(18116.383792291294)",]
potential_energy = -40578.549348218556
stress = [ "np.float64(0.08885470321092694)", "np.float64(0.08885470321092694)", "np.float64(0.098457713708298)", "np.float64(-0.0)", "np.float64(-0.0)", "np.float64(-0.0)",]
total_energy = -40578.549348218556
