element(s):
['Cr', 'Ni']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.7577']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.7577, 0, 0], [0, 5.7577, 0], [0, 0, 5.7577]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:55:36     -235.852855        5.6386
BFGS:    1 13:55:36     -236.637999        4.8203
BFGS:    2 13:55:36     -237.295927        3.9418
BFGS:    3 13:55:36     -237.820120        3.0242
BFGS:    4 13:55:36     -238.198951        2.0153
BFGS:    5 13:55:36     -238.421159        0.9352
BFGS:    6 13:55:37     -238.478577        0.0607
BFGS:    7 13:55:37     -238.478811        0.0017
BFGS:    8 13:55:37     -238.478811        0.0000
BFGS:    9 13:55:37     -238.478811        0.0000
Minimization converged after 9 steps.
Maximum force component: 6.433749630720917e-30 eV/Angstrom
Maximum stress component: 1.1761706143840459e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 8.17648313e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 6.05181322e-50]
 [0.00000000e+00 5.00000000e-01 5.45098875e-34]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [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]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.653080662712967, -1.1572181373708527e-33, 8.028571630548584e-34], [-4.6160054143354034e-33, 5.653080662712967, 1.850085266624372e-17], [-2.5918030836576917e-33, 1.8500852666243717e-17, 5.653080662712967]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.04519398e-30 -2.81041049e-30  4.07625653e-30]
 [ 4.32594176e-31  3.28945773e-30  5.93147586e-30]
 [-7.31635788e-31 -3.66979221e-30 -5.64404751e-30]
 [ 1.64908384e-30  3.03106255e-30 -4.36658820e-30]
 [-2.32265330e-31 -2.41555943e-30 -4.04141674e-30]
 [-1.62005067e-30  2.20071400e-30 -3.15880848e-30]
 [-1.20777971e-30  7.05505939e-31  6.43374963e-30]
 [-4.00657694e-31 -2.50846556e-30  3.66688889e-30]]
stress =  [-1.17617061e-11 -1.17617061e-11 -1.17617061e-11 -1.92740982e-27
  1.02853441e-33  1.15117071e-49]
energy per atom =  -14.904925680704098
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0