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:
Tersoff_LAMMPS_AlbeNordlundNord_2002_GaAs__MO_799020228312_004
==== 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 20:05:09      -26.759332         0.425752
BFGS:    1 20:05:09      -26.766911         0.404888
BFGS:    2 20:05:10      -26.814421         0.226535
BFGS:    3 20:05:10      -26.834240         0.035562
BFGS:    4 20:05:10      -26.834718         0.001446
BFGS:    5 20:05:10      -26.834718         0.000009
BFGS:    6 20:05:10      -26.834718         0.000000
Minimization converged after 6 steps.
Maximum force component: 2.7579816449970054e-31 eV/Angstrom
Maximum stress component: 9.193712846754498e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['As', 'As', 'As', 'As', 'Ga', 'Ga', 'Ga', 'Ga']
basis =  [[1.28477856e-34 0.00000000e+00 1.28403166e-34]
 [5.26905616e-38 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 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([[5.6527339860057895, -9.092870993165326e-34, -5.790455120740802e-34], [-1.8005787470793115e-33, 5.6527339860057895, 1.4721495787760445e-17], [-1.0706431656901386e-33, 1.4721495787760445e-17, 5.6527339860057895]])
forces =  [[ 1.74953710e-66 -2.90313857e-33 -4.35470786e-33]
 [ 5.80627715e-33 -5.80627715e-33  5.80627715e-33]
 [ 4.42381781e-66 -8.70941572e-33 -8.70941572e-33]
 [-1.84948721e-66  5.80627715e-33  1.51213704e-50]
 [-5.80627715e-33  1.53866344e-31 -1.93058715e-31]
 [ 9.29004344e-32 -1.84349299e-31 -1.56769483e-31]
 [-9.16249214e-65  2.49669917e-31  6.38690486e-32]
 [ 7.25784643e-32 -1.42253790e-31  2.75798164e-31]]
stress =  [ 9.19371285e-11  9.19371285e-11  9.19371285e-11 -1.08685539e-26
  3.21456430e-35 -1.05683069e-51]
energy per atom =  -3.3543398115732845
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0