atomic_numbers = [ "np.int64(28)", "np.int64(28)", "np.int64(1)", "np.int64(1)", "np.int64(1)", "np.int64(1)", "np.int64(8)", "np.int64(8)", "np.int64(8)", "np.int64(8)",]
atomic_density = "np.float64(0.12272053653457043)"
cell = [ [ "np.float64(5.476304)", "np.float64(0.0)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(3.16485)", "np.float64(0.0)",], [ "np.float64(-0.5371879995612093)", "np.float64(0.0)", "np.float64(4.701560995972139)",],]
cell_parameters = [ "np.float64(5.476304)", "np.float64(3.16485)", "np.float64(4.73215033)", "np.float64(90.0)", "np.float64(96.51819874)", "np.float64(90.0)",]
cell_scaled_unit = [ [ "np.float64(0.5)", "np.float64(0.45154)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(0.95154)", "np.float64(0.0)",], [ "np.float64(0.305326)", "np.float64(0.914466)", "np.float64(0.579327)",], [ "np.float64(0.694674)", "np.float64(0.914466)", "np.float64(0.42067299999999996)",], [ "np.float64(0.8053260000000001)", "np.float64(0.414466)", "np.float64(0.579327)",], [ "np.float64(0.19467400000000004)", "np.float64(0.414466)", "np.float64(0.42067299999999996)",], [ "np.float64(0.310319)", "np.float64(0.951288)", "np.float64(0.783423)",], [ "np.float64(0.689681)", "np.float64(0.951288)", "np.float64(0.216577)",], [ "np.float64(0.810319)", "np.float64(0.451288)", "np.float64(0.783423)",], [ "np.float64(0.18968100000000002)", "np.float64(0.451288)", "np.float64(0.216577)",],]
chemical_formula = "H4Ni2O4"
chemical_symbols = [ "Ni", "Ni", "H", "H", "H", "H", "O", "O", "O", "O",]
density = "np.float64(377.8512742851224)"
masses = [ "np.float64(58.6934)", "np.float64(58.6934)", "np.float64(1.008)", "np.float64(1.008)", "np.float64(1.008)", "np.float64(1.008)", "np.float64(15.999)", "np.float64(15.999)", "np.float64(15.999)", "np.float64(15.999)",]
scattering_length_neutron = [ "np.complex64(10.3+0j)", "np.complex64(10.3+0j)", "np.complex64(-3.739+0j)", "np.complex64(-3.739+0j)", "np.complex64(-3.739+0j)", "np.complex64(-3.739+0j)", "np.complex64(5.803+0j)", "np.complex64(5.803+0j)", "np.complex64(5.803+0j)", "np.complex64(5.803+0j)",]
scattering_length_xray = [ "np.complex64(1.2678897-2.079517j)", "np.complex64(1.2678897-2.079517j)", "np.complex64(-0.00020777246-1.9690908e-07j)", "np.complex64(-0.00020777246-1.9690908e-07j)", "np.complex64(-0.00020777246-1.9690908e-07j)", "np.complex64(-0.00020777246-1.9690908e-07j)", "np.complex64(-0.002296626-0.008676032j)", "np.complex64(-0.002296626-0.008676032j)", "np.complex64(-0.002296626-0.008676032j)", "np.complex64(-0.002296626-0.008676032j)",]
positions = [ [ "np.float64(2.738152)", "np.float64(1.429056369)", "np.float64(0.0)",], [ "np.float64(0.0)", "np.float64(3.011481369)", "np.float64(0.0)",], [ "np.float64(1.360850482882203)", "np.float64(2.8941477201)", "np.float64(2.7237412271135515)",], [ "np.float64(3.5782655175565874)", "np.float64(2.8941477201)", "np.float64(1.9778197688585875)",], [ "np.float64(4.099002482882203)", "np.float64(1.3117227201)", "np.float64(2.7237412271135515)",], [ "np.float64(0.8401135175565876)", "np.float64(1.3117227201)", "np.float64(1.9778197688585875)",], [ "np.float64(1.2785557467957587)", "np.float64(3.0106838268)", "np.float64(3.6833110201474812)",], [ "np.float64(3.6605602536430317)", "np.float64(3.0106838268)", "np.float64(1.018249975824658)",], [ "np.float64(4.016707746795759)", "np.float64(1.4282588268)", "np.float64(3.6833110201474812)",], [ "np.float64(0.922408253643032)", "np.float64(1.4282588268)", "np.float64(1.018249975824658)",],]
reciprocal_cell = [ [ "np.float64(1.147340488585002)", "np.float64(0.0)", "np.float64(0.131092108005528)",], [ "np.float64(0.0)", "np.float64(1.985302717980315)", "np.float64(0.0)",], [ "np.float64(-8.668256071065402e-17)", "np.float64(0.0)", "np.float64(1.3364040820448464)",],]
spacegroup = "C 2"
spacegroup_number = 5
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)",],],]
volume = "np.float64(81.48595404146555)"
weight = "np.float64(185.41479999999999)"

[ground_state]
angular_momentum = [ "np.float64(0.0)", "np.float64(0.0)", "np.float64(0.0)",]
center_of_mass = [ "np.float64(1.7728387498502007)", "np.float64(2.2174420785658167)", "np.float64(0.862492615028554)",]
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)",],]
moments_of_inertia = [ "np.float64(338.86367024263666)", "np.float64(591.237652730709)", "np.float64(810.5470267948434)",]
potential_energy = "np.float64(8.625249521327564)"
stress = [ "np.float64(-0.030956102334095674)", "np.float64(-0.04312303324319336)", "np.float64(-0.5762413631079806)", "np.float64(3.2699319661207875e-17)", "np.float64(0.03381253086412648)", "np.float64(-1.4923322319340314e-17)",]
total_energy = "np.float64(8.625249521327564)"
