element(s):
['H', 'O', 'P']
AFLOW prototype label:
A3B4C_mP32_14_3e_4e_e
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['12.8269', '0.37581957', '0.93716331', '152.7221', '0.48773357', '0.12943675', '0.30807686', '0.27492433', '0.42737562', '0.21588563', '0.12717954', '0.48957951', '0.80085366', '0.28168549', '0.67776853', '0.022341406', '0.33073697', '0.099208591', '0.19704195', '0.27714843', '0.63041227', '0.23165785', '0.95103879', '0.85850568', '0.82805871', '0.21231016', '0.81083452', '0.06613482']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['H', 'H', 'H', 'O', 'O', 'O', 'O', 'P']
representative atom coordinates =  [[0.51226643 0.12943675 0.17965671]
 [0.72507567 0.42737562 0.0590387 ]
 [0.87282046 0.48957951 0.32632588]
 [0.71831451 0.67776853 0.25934408]
 [0.66926303 0.09920859 0.13369502]
 [0.72285157 0.63041227 0.04549058]
 [0.04896121 0.85850568 0.12298008]
 [0.78768984 0.81083452 0.14617534]]
spacegroup =  14
cell =  [[5.9113, 0, 0], [0, 4.8206, 0], [1.2616589999951, 0, 11.954507659361]]
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