element(s):
['Ga']
AFLOW prototype label:
A_oC8_64_f
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5397', '1.6992092', '1.0032161', '0.84397269', '0.081681897']
model name:
Sim_LAMMPS_BOP_MurdickZhouWadley_2006_GaAs__SM_104202807866_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga']
representative atom coordinates =  [[0.         0.84397269 0.0816819 ]]
spacegroup =  64
cell =  [[4.5397, 0, 0], [0, 7.7139, 0], [0, 0, 4.5543]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:49:13      -20.523924         0.487257
BFGS:    1 12:49:13      -20.544634         0.492188
BFGS:    2 12:49:14      -20.610125         0.486550
BFGS:    3 12:49:14      -20.620001         0.457710
BFGS:    4 12:49:14      -20.645780         0.350766
BFGS:    5 12:49:14      -20.664370         0.231035
BFGS:    6 12:49:14      -20.672664         0.140404
BFGS:    7 12:49:15      -20.674700         0.123071
BFGS:    8 12:49:15      -20.677090         0.113336
BFGS:    9 12:49:15      -20.681076         0.115798
BFGS:   10 12:49:15      -20.688130         0.131391
BFGS:   11 12:49:15      -20.694932         0.148665
BFGS:   12 12:49:16      -20.699859         0.163788
BFGS:   13 12:49:16      -20.701662         0.166809
BFGS:   14 12:49:16      -20.703777         0.179300
BFGS:   15 12:49:16      -20.707922         0.183686
BFGS:   16 12:49:17      -20.714833         0.169119
BFGS:   17 12:49:17      -20.722021         0.148920
BFGS:   18 12:49:17      -20.729284         0.135917
BFGS:   19 12:49:17      -20.735401         0.098285
BFGS:   20 12:49:17      -20.738707         0.040296
BFGS:   21 12:49:18      -20.738960         0.041529
BFGS:   22 12:49:18      -20.739100         0.040119
BFGS:   23 12:49:18      -20.739192         0.042011
BFGS:   24 12:49:18      -20.739561         0.043949
BFGS:   25 12:49:18      -20.740115         0.039559
BFGS:   26 12:49:19      -20.740865         0.024246
BFGS:   27 12:49:19      -20.741307         0.012177
BFGS:   28 12:49:19      -20.741405         0.002121
BFGS:   29 12:49:19      -20.741411         0.000308
BFGS:   30 12:49:19      -20.741412         0.000036
BFGS:   31 12:49:19      -20.741412         0.000006
BFGS:   32 12:49:20      -20.741412         0.000002
BFGS:   33 12:49:20      -20.741412         0.000000
BFGS:   34 12:49:20      -20.741412         0.000000