element(s):
['Al', 'Co', 'Cr']
AFLOW prototype label:
AB2C_cF16_225_a_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8556']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Co', 'Cr']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[5.8556, 0, 0], [0, 5.8556, 0], [0, 0, 5.8556]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:09:22     -196.162728        7.7989
BFGS:    1 14:09:22     -197.296176        7.3072
BFGS:    2 14:09:22     -198.352879        6.7753
BFGS:    3 14:09:22     -199.326625        6.2007
BFGS:    4 14:09:22     -200.210834        5.5810
BFGS:    5 14:09:23     -200.998532        4.9134
BFGS:    6 14:09:23     -201.684361        4.2122
BFGS:    7 14:09:23     -202.259015        3.4407
BFGS:    8 14:09:23     -202.713984        2.6154
BFGS:    9 14:09:23     -203.040430        1.7269
BFGS:   10 14:09:23     -203.229753        0.7902
BFGS:   11 14:09:23     -203.276145        0.0652
BFGS:   12 14:09:23     -203.276450        0.0017
BFGS:   13 14:09:24     -203.276451        0.0000
BFGS:   14 14:09:24     -203.276451        0.0000
Minimization converged after 14 steps.
Maximum force component: 1.7552287892981062e-30 eV/Angstrom
Maximum stress component: 1.800303953228571e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Cr', 'Cr', 'Cr', 'Cr']
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 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]
 [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]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [1.20924170e-49 6.80742561e-35 5.00000000e-01]]
cellpar =  Cell([[5.658320940821055, -2.364019819637489e-32, -3.966289767759593e-33], [-1.9900646984686842e-32, 5.658320940821055, -4.138241245417368e-18], [3.405482095911739e-33, -4.138241245417369e-18, 5.658320940821055]])
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]
 [-6.97441903e-32 -3.71969015e-31 -3.25472888e-31]
 [-3.23293382e-31 -5.28893443e-31  7.03253919e-31]
 [-1.16240317e-32 -4.18465142e-31  1.11590704e-30]
 [-4.06841110e-31 -7.20689966e-31  2.67352729e-31]
 [ 2.20856603e-31  4.01029094e-31  4.41713205e-31]
 [-1.42394389e-31  3.66156999e-31 -4.64961269e-31]
 [-2.09232571e-31  2.90600793e-31 -1.75522879e-30]
 [ 1.30770357e-31  3.71969015e-31  4.44619213e-31]
 [ 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]]
stress =  [-1.80030395e-11 -1.80030395e-11 -1.80030395e-11 -5.91038896e-29
  1.02663021e-33 -2.26270700e-52]
energy per atom =  -12.704778167479645
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0