element(s):
['Na', 'O', 'Si']
AFLOW prototype label:
A4B4C_aP18_2_4i_4i_i
Parameter names:
['a', 'b/a', 'c/a', 'alpha', 'beta', 'gamma', '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']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.6272', '0.99905815', '1.5106625', '71.7486', '81.0011', '67.5846', '0.74338295', '0.76403472', '0.017287222', '0.2333345', '0.48083555', '0.56326487', '0.26449476', '0.047315826', '0.39141904', '0.23505325', '0.60108305', '0.17034009', '0.95781246', '0.34627099', '0.19371201', '0.95720252', '0.85003649', '0.35177504', '0.64819043', '0.1518008', '0.086427331', '0.5365616', '0.29109739', '0.37272504', '0.77559317', '0.15671845', '0.24710873']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Na', 'Na', 'Na', 'Na', 'O', 'O', 'O', 'O', 'Si']
representative atom coordinates =  [[0.74338295 0.76403472 0.01728722]
 [0.2333345  0.48083555 0.56326487]
 [0.26449476 0.04731583 0.39141904]
 [0.23505325 0.60108305 0.17034009]
 [0.95781246 0.34627099 0.19371201]
 [0.95720252 0.85003649 0.35177504]
 [0.64819043 0.1518008  0.08642733]
 [0.5365616  0.29109739 0.37272504]
 [0.77559317 0.15671845 0.24710873]]
spacegroup =  2
cell =  [[5.6272, 0, 0], [2.1437365143086, 5.197129339089, 0], [1.3296569058326, 2.3314747898852, 8.0659679181671]]
=========================================