element(s):
['H', 'Na', 'O']
AFLOW prototype label:
A3BC2_oP48_61_3c_c_2c
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']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.1701', '1.0030956', '1.8747022', '0.43122511', '0.10460926', '0.86788551', '0.72247611', '0.93183865', '0.6342557', '0.56270766', '0.37729259', '0.79238022', '0.85973277', '0.20059003', '0.93996039', '0.88661157', '0.94672935', '0.6282182', '0.96971341', '0.85503132', '0.87483838']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['H', 'H', 'H', 'Na', 'O', 'O']
representative atom coordinates =  [[0.43122511 0.10460926 0.86788551]
 [0.72247611 0.93183865 0.6342557 ]
 [0.56270766 0.37729259 0.79238022]
 [0.85973277 0.20059003 0.93996039]
 [0.88661157 0.94672935 0.6282182 ]
 [0.96971341 0.85503132 0.87483838]]
spacegroup =  61
cell =  [[6.1701, 0, 0], [0, 6.1892, 0], [0, 0, 11.5671]]
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