element(s):
['H', 'Na', 'O', 'Si']
AFLOW prototype label:
A3B3C5D_mP48_14_3e_3e_5e_e
Parameter names:
['a', 'b/a', 'c/a', 'beta', '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:
['11.9731', '0.50152425', '0.94185299', '140.1807', '0.071440556', '0.59608681', '0.40337904', '0.48712836', '0.11631266', '0.66164591', '0.66137594', '0.027257763', '0.8771172', '0.74872401', '0.48794531', '0.91451925', '0.89910936', '0.19170512', '0.83117286', '0.47902553', '0.74379232', '0.53960815', '0.99097431', '0.22771877', '0.10722628', '0.26972553', '0.48798324', '0.30589339', '0.31241371', '0.066394673', '0.42412872', '0.16268549', '0.37001246', '0.44318058', '0.57308729', '0.15187275', '0.79622751', '0.19167357', '0.29391325', '0.32754802']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['H', 'H', 'H', 'Na', 'Na', 'Na', 'O', 'O', 'O', 'O', 'O', 'Si']
representative atom coordinates =  [[0.92855944 0.59608681 0.66806152]
 [0.51287164 0.11631266 0.82548245]
 [0.33862406 0.02725776 0.78425874]
 [0.25127599 0.48794531 0.83420476]
 [0.10089064 0.19170512 0.0679365 ]
 [0.52097447 0.74379232 0.93941738]
 [0.00902569 0.22771877 0.88374803]
 [0.73027447 0.48798324 0.96383214]
 [0.68758629 0.06639467 0.88828499]
 [0.83731451 0.37001246 0.71950491]
 [0.42691271 0.15187275 0.77685978]
 [0.80832643 0.29391325 0.86412555]]
spacegroup =  14
cell =  [[7.9445, 0, 0], [0, 6.0048, 0], [2.9535281265638, 0, 10.883250673195]]
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