element(s):
['O', 'P']
AFLOW prototype label:
A3B2_mP20_11_2e2f_2ef
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.1442', '1.1643151', '0.9266118', '106.9558', '0.46706653', '0.47872488', '0.96598748', '0.81336796', '0.4995277', '0.73948608', '0.64251098', '0.35939865', '0.22228583', '0.5959974', '0.51647433', '0.34482678', '0.59619093', '0.19038668', '0.13841818', '0.57159668', '0.25513751']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'O', 'P', 'P', 'P']
representative atom coordinates =  [[0.52127512 0.25       0.46706653]
 [0.18663204 0.25       0.96598748]
 [0.48352567 0.5959974  0.22228583]
 [0.80961332 0.59619093 0.34482678]
 [0.26051392 0.25       0.4995277 ]
 [0.64060135 0.25       0.64251098]
 [0.74486249 0.57159668 0.13841818]]
spacegroup =  11
cell =  [[6.6199, 0, 0], [0, 8.3181, 0], [2.0834908393183, 0, 6.8336417496439]]
=========================================