element(s):
['H', 'Na', 'O', 'Si']
AFLOW prototype label:
A3BC6D2_oF192_43_3b_b_6b_2b
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']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['18.3115', '0.8922262', '0.39348497', '0.36286373', '0.23380678', '0.7453673', '0.36939137', '0.2445178', '0.52623677', '0.32401607', '0.16275425', '0.96596173', '0.48697395', '0.11010445', '0.88614754', '0.41280568', '0.080704381', '0.42903961', '0.27396152', '0.089172575', '0.31542403', '0.33412588', '0.2412522', '0.62849995', '0.3936987', '0.20835124', '0.96317775', '0.27523278', '0.13014206', '0.94951079', '0.43477789', '0.23486207', '0.32231612', '0.47570297', '0.14736911', '0.37460131', '0.34167617', '0.025210689', '0.3703171']
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', 'O', 'O', 'O', 'O', 'Si', 'Si']
representative atom coordinates =  [[0.51619322 0.11286373 0.7453673 ]
 [0.5054822  0.11939137 0.52623677]
 [0.58724575 0.07401607 0.96596173]
 [0.63989555 0.23697395 0.88614754]
 [0.66929562 0.16280568 0.42903961]
 [0.66082743 0.02396152 0.31542403]
 [0.5087478  0.08412588 0.62849995]
 [0.54164876 0.1436987  0.96317775]
 [0.61985794 0.02523278 0.94951079]
 [0.51513793 0.18477789 0.32231612]
 [0.60263089 0.22570297 0.37460131]
 [0.72478931 0.09167617 0.3703171 ]]
spacegroup =  43
cell =  [[16.338, 0, 0], [0, 18.3115, 0], [0, 0, 7.2053]]
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