element(s):
['As', 'Ga']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.7352']
model name:
Sim_LAMMPS_BOP_MurdickZhouWadley_2006_GaAs__SM_104202807866_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['As', 'Ga']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[5.7352, 0, 0], [0, 5.7352, 0], [0, 0, 5.7352]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:02:44      -26.898032         0.385136
BFGS:    1 19:02:44      -26.904223         0.364882
BFGS:    2 19:02:44      -26.944843         0.174774
BFGS:    3 19:02:44      -26.956376         0.009284
BFGS:    4 19:02:44      -26.956407         0.000318
BFGS:    5 19:02:44      -26.956407         0.000001
BFGS:    6 19:02:44      -26.956407         0.000000
Minimization converged after 6 steps.
Maximum force component: 1.3962996080480539e-30 eV/Angstrom
Maximum stress component: 3.47525455289622e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['As', 'As', 'As', 'As', 'Ga', 'Ga', 'Ga', 'Ga']
basis =  [[3.84881340e-34 0.00000000e+00 3.85189907e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.08031386e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.664064115969782, -7.103148910323216e-34, 5.435125824920469e-34], [-6.32841986148568e-34, 5.664064115969782, -1.0780278779782933e-18], [-3.920234901365033e-33, -1.0780278779782872e-18, 5.664064115969782]])
forces =  [[-2.32716601e-32  2.21461992e-51 -1.16358301e-32]
 [ 2.32716601e-32  2.32716601e-32  2.32716601e-32]
 [-4.65433203e-32  3.49074902e-32 -2.32716601e-32]
 [ 3.49074902e-32 -6.98149804e-32  4.65433203e-32]
 [ 2.79259922e-31 -1.00068139e-30  7.38875209e-31]
 [ 1.86173281e-31  1.23339799e-30 -1.12867552e-30]
 [ 4.31980191e-31 -8.37779765e-31  1.39629961e-30]
 [ 9.30866405e-32  8.02872275e-31 -5.35248183e-31]]
stress =  [-3.47525455e-12 -3.47525455e-12 -3.47525455e-12  8.11991530e-28
  2.57511632e-61 -2.20944494e-61]
energy per atom =  -3.3695509198733964
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0