element(s):
['Au', 'Cu']
AFLOW prototype label:
AB_oI40_74_5e_5e
Parameter names:
['a', 'b/a', 'c/a', 'z1', 'z2', 'z3', 'z4', 'z5', 'z6', 'z7', 'z8', 'z9', 'z10']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0749', '0.87332204', '10.101205', '0.77498935', '0.675153', '0.87483193', '0.57516893', '0.97365054', '0.27489507', '0.17506105', '0.37475932', '0.075451031', '0.47648355']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Au', 'Au', 'Au', 'Au', 'Au', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu']
representative atom coordinates =  [[0.         0.25       0.97501065]
 [0.         0.25       0.074847  ]
 [0.         0.25       0.87516807]
 [0.         0.25       0.17483107]
 [0.         0.25       0.77634946]
 [0.         0.25       0.47510493]
 [0.         0.25       0.57493895]
 [0.         0.25       0.37524068]
 [0.         0.25       0.67454897]
 [0.         0.25       0.27351645]]
spacegroup =  74
cell =  [[3.5587, 0, 0], [0, 4.0749, 0], [0, 0, 41.1614]]
=========================================