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 12:17:49      -26.898032         0.385136
BFGS:    1 12:17:49      -26.904223         0.364882
BFGS:    2 12:17:49      -26.944843         0.174774
BFGS:    3 12:17:49      -26.956376         0.009284
BFGS:    4 12:17:49      -26.956407         0.000318
BFGS:    5 12:17:49      -26.956407         0.000001
BFGS:    6 12:17:50      -26.956407         0.000000
Minimization converged after 6 steps.
Maximum force component: 6.8651397395695985e-31 eV/Angstrom
Maximum stress component: 3.475254552896221e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['As', 'As', 'As', 'As', 'Ga', 'Ga', 'Ga', 'Ga']
basis =  [[2.56485963e-34 0.00000000e+00 2.56794578e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.55019616e-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, -1.2316498150419743e-32, 8.949501916673046e-33], [1.5597668432943599e-32, 5.664064115969782, -1.077953526631749e-18], [-4.2476787636849624e-33, -1.0779535266317386e-18, 5.664064115969782]])
forces =  [[ 2.32716601e-32  2.32716601e-32  1.16358301e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.74522277e-65 -4.42893435e-51  2.32716601e-32]
 [ 4.66331413e-65  2.32716601e-32  2.32716601e-32]
 [-9.30866405e-32  3.02531582e-31  3.95618222e-31]
 [ 1.86173281e-31  6.86513974e-31  3.72346562e-31]
 [ 1.30903088e-32  1.86173281e-31  6.51606484e-31]
 [ 4.65433203e-31  5.81791503e-31 -5.81791503e-31]]
stress =  [-3.47525455e-12 -3.47525455e-12 -3.47525455e-12 -3.08911853e-28
 -6.07069899e-61  3.51342740e-60]
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