element(s):
['Co', 'Fe']
AFLOW prototype label:
AB7_cI16_229_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:
['5.9417']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Fe', 'Fe']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  229
cell =  [[5.9417, 0, 0], [0, 5.9417, 0], [0, 0, 5.9417]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:18:30     -148.290926         4.929938
BFGS:    1 16:18:30     -148.998530         4.499365
BFGS:    2 16:18:30     -149.639063         4.035335
BFGS:    3 16:18:30     -150.207359         3.535872
BFGS:    4 16:18:31     -150.697949         2.998892
BFGS:    5 16:18:31     -151.105041         2.422188
BFGS:    6 16:18:31     -151.422503         1.803429
BFGS:    7 16:18:31     -151.644030         1.147541
BFGS:    8 16:18:31     -151.763499         0.437308
BFGS:    9 16:18:31     -151.782704         0.024626
BFGS:   10 16:18:31     -151.782764         0.000488
BFGS:   11 16:18:31     -151.782764         0.000001
BFGS:   12 16:18:32     -151.782764         0.000000
Minimization converged after 12 steps.
Maximum force component: 7.982534251424571e-30 eV/Angstrom
Maximum stress component: 9.15298980916986e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[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 1.33228816e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.91654797e-50 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 6.66144080e-35 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([[5.782322477234719, -3.626757530415533e-33, 7.85810281836251e-34], [-9.595017500083295e-33, 5.782322477234719, -5.4715854682461426e-18], [-1.0179095281705193e-33, -5.471585468246147e-18, 5.782322477234719]])
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]
 [-6.71150573e-31 -2.47078441e-30  3.65866153e-30]
 [-1.14036204e-30  5.13162916e-30  2.58957212e-30]
 [-8.55271527e-31 -1.71054305e-30 -1.52048271e-30]
 [-2.77963246e-30  4.58520569e-30 -7.98253425e-30]
 [ 5.58302247e-31 -3.51611628e-30 -4.65647831e-30]
 [-8.55271527e-31  4.89405374e-30 -1.90060339e-30]
 [ 1.31544631e-30  8.81256339e-31  7.50961067e-31]
 [-1.04533187e-30 -4.37138780e-30  6.55708171e-30]]
stress =  [-9.15298981e-13 -9.15298981e-13 -9.15298981e-13  3.70783571e-30
 -2.21182611e-61  3.55490523e-62]
energy per atom =  -9.486422741439068
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0