element(s):
['O', 'P']
AFLOW prototype label:
A2B_mC48_15_2e3f_2f
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'y1', 'y2', 'x3', 'y3', 'z3', 'x4', 'y4', '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:
['9.9738', '1.0586336', '0.73534661', '82.5225', '0.37973742', '0.04128251', '0.59141584', '0.29167574', '0.5221326', '0.65798696', '0.2904183', '0.8439076', '0.25233968', '0.96564056', '0.61325299', '0.53854363', '0.18677358', '0.93956661', '0.13882294', '0.88278211', '0.67628171']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'O', 'O', 'P', 'P']
representative atom coordinates =  [[0.         0.62026258 0.25      ]
 [0.         0.95871749 0.25      ]
 [0.40858416 0.29167574 0.4778674 ]
 [0.34201304 0.2904183  0.1560924 ]
 [0.74766032 0.96564056 0.38674701]
 [0.46145637 0.18677358 0.06043339]
 [0.86117706 0.88278211 0.32371829]]
spacegroup =  15
cell =  [[9.9738, 0, 0], [0, 10.5586, 0], [0.95444963157671, 0, 7.2718302744758]]
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