element(s):
['H', 'O', 'P']
AFLOW prototype label:
A3B3C_oP56_33_6a_6a_2a
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']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.3688', '1.6628216', '0.95137607', '0.96695476', '0.15410816', '0.18107684', '0.28457577', '0.19122103', '0.93165087', '0.81005681', '0.9892814', '0.97428421', '0.19970671', '0.4064923', '0.55637687', '0.075289368', '0.44125443', '0.16240963', '0.95879633', '0.24289308', '0.6548245', '0.21238213', '0.12166873', '0.96079389', '0.94289023', '0.0088093214', '0.95134664', '0.90949245', '0.21433482', '0.86394911', '0.073984066', '0.37170079', '0.24480673', '0.9845401', '0.2611426', '0.51454677', '0.89668922', '0.467063', '0.51802931', '0.0025401686', '0.12958658', '0.98917998', '0.036166807', '0.3813231', '0.46336887']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['H', 'H', 'H', 'H', 'H', 'H', 'O', 'O', 'O', 'O', 'O', 'O', 'P', 'P']
representative atom coordinates =  [[0.96695476 0.15410816 0.18107684]
 [0.28457577 0.19122103 0.93165087]
 [0.81005681 0.9892814  0.97428421]
 [0.19970671 0.4064923  0.55637687]
 [0.07528937 0.44125443 0.16240963]
 [0.95879633 0.24289308 0.6548245 ]
 [0.21238213 0.12166873 0.96079389]
 [0.94289023 0.00880932 0.95134664]
 [0.90949245 0.21433482 0.86394911]
 [0.07398407 0.37170079 0.24480673]
 [0.9845401  0.2611426  0.51454677]
 [0.89668922 0.467063   0.51802931]
 [0.00254017 0.12958658 0.98917998]
 [0.03616681 0.3813231  0.46336887]]
spacegroup =  33
cell =  [[7.3688, 0, 0], [0, 12.253, 0], [0, 0, 7.0105]]
=========================================