element(s):
['Al', 'Cu']
AFLOW prototype label:
A4B9_cP52_215_ei_3efgi
Parameter names:
['a', 'x1', 'x2', 'x3', 'x4', 'x5', 'x6', 'x7', 'z7', 'x8', 'z8']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['8.7121', '0.12027485', '0.8306729', '0.32467611', '0.60540785', '0.35587781', '0.85443377', '0.80973715', '0.53486432', '0.3160954', '0.030944113']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu']
representative atom coordinates =  [[0.12027485 0.12027485 0.12027485]
 [0.80973715 0.80973715 0.53486432]
 [0.8306729  0.8306729  0.8306729 ]
 [0.32467611 0.32467611 0.32467611]
 [0.60540785 0.60540785 0.60540785]
 [0.35587781 0.         0.        ]
 [0.85443377 0.5        0.5       ]
 [0.3160954  0.3160954  0.03094411]]
spacegroup =  215
cell =  [[8.7121, 0, 0], [0, 8.7121, 0], [0, 0, 8.7121]]
=========================================