element(s):
['O', 'P']
AFLOW prototype label:
A9B2_oP88_19_18a_4a
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19', 'x20', 'y20', 'z20', 'x21', 'y21', 'z21', 'x22', 'y22', 'z22']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['8.7729', '1.083587', '1.6981158', '0.93507947', '0.46754302', '0.89196526', '0.59335491', '0.48093942', '0.69980512', '0.55224153', '0.59103448', '0.63511632', '0.60685157', '0.70421708', '0.69398284', '0.11922186', '0.45733642', '0.78555063', '0.21599147', '0.55679927', '0.73568059', '0.13113948', '0.67933643', '0.76865246', '0.89090267', '0.84619904', '0.003847216', '0.75922394', '0.93395134', '0.026755979', '0.66531413', '0.8736008', '0.9548428', '0.63751748', '0.40288302', '0.014144598', '0.6730905', '0.25295303', '0.0039587483', '0.80214095', '0.28097109', '0.94360373', '0.86031331', '0.57678436', '0.74323895', '0.68560641', '0.72651792', '0.83790317', '0.95509644', '0.7220556', '0.87699216', '0.65797165', '0.47159802', '0.84720224', '0.75990161', '0.60899813', '0.98242589', '0.76213982', '0.45099375', '0.93555499', '0.7932301', '0.75216418', '0.92790703', '0.99681435', '0.58119598', '0.8169475', '0.68087598', '0.59334418', '0.76832623']
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', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'P', 'P', 'P', 'P']
representative atom coordinates =  [[0.93507947 0.46754302 0.89196526]
 [0.59335491 0.48093942 0.69980512]
 [0.55224153 0.59103448 0.63511632]
 [0.60685157 0.70421708 0.69398284]
 [0.11922186 0.45733642 0.78555063]
 [0.21599147 0.55679927 0.73568059]
 [0.13113948 0.67933643 0.76865246]
 [0.89090267 0.84619904 0.00384722]
 [0.75922394 0.93395134 0.02675598]
 [0.66531413 0.8736008  0.9548428 ]
 [0.63751748 0.40288302 0.0141446 ]
 [0.6730905  0.25295303 0.00395875]
 [0.80214095 0.28097109 0.94360373]
 [0.86031331 0.57678436 0.74323895]
 [0.68560641 0.72651792 0.83790317]
 [0.95509644 0.7220556  0.87699216]
 [0.65797165 0.47159802 0.84720224]
 [0.75990161 0.60899813 0.98242589]
 [0.76213982 0.45099375 0.93555499]
 [0.7932301  0.75216418 0.92790703]
 [0.99681435 0.58119598 0.8169475 ]
 [0.68087598 0.59334418 0.76832623]]
spacegroup =  19
cell =  [[8.7729, 0, 0], [0, 9.5062, 0], [0, 0, 14.8974]]
=========================================