element(s):
['H', 'Na', 'O']
AFLOW prototype label:
ABC_mP6_11_e_e_e
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.9214', '0.57852873', '0.57871449', '103.4564', '0.39868281', '0.93352031', '0.82581895', '0.6816439', '0.23079164', '0.83246322']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['H', 'Na', 'O']
representative atom coordinates =  [[0.06647969 0.25       0.39868281]
 [0.3183561  0.25       0.82581895]
 [0.16753678 0.25       0.23079164]]
spacegroup =  11
cell =  [[3.4268, 0, 0], [0, 3.4257, 0], [1.3779415084418, 0, 5.7588414771821]]
=========================================