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 12:57:39     -148.290926         4.929938
BFGS:    1 12:57:39     -148.998530         4.499365
BFGS:    2 12:57:39     -149.639063         4.035335
BFGS:    3 12:57:40     -150.207359         3.535872
BFGS:    4 12:57:40     -150.697949         2.998892
BFGS:    5 12:57:41     -151.105041         2.422188
BFGS:    6 12:57:41     -151.422503         1.803429
BFGS:    7 12:57:41     -151.644030         1.147541
BFGS:    8 12:57:42     -151.763499         0.437308
BFGS:    9 12:57:42     -151.782704         0.024626
BFGS:   10 12:57:43     -151.782764         0.000488
BFGS:   11 12:57:43     -151.782764         0.000001
BFGS:   12 12:57:44     -151.782764         0.000000
Minimization converged after 12 steps.
Maximum force component: 2.70123257258028e-29 eV/Angstrom
Maximum stress component: 9.125487514982293e-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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 7.09985756e-49 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [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([[5.78232247723472, 2.2027296233884338e-32, -5.3919633466189136e-33], [2.2890598553550255e-33, 5.78232247723472, -1.182734984400827e-17], [-1.243591120100991e-32, -1.1827349844008266e-17, 5.78232247723472]])
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]
 [-3.84872187e-30 -1.40644651e-29  2.70123257e-29]
 [ 7.22229289e-30  1.87684585e-29  2.00038507e-29]
 [ 3.04096543e-30 -1.82457926e-29 -1.97662753e-29]
 [-3.04096543e-30  1.47296763e-29 -2.01463960e-29]
 [ 1.80557322e-30 -2.31873614e-29 -1.25439824e-29]
 [-7.98253425e-30  1.34942841e-29 -1.55849478e-29]
 [ 4.59411476e-30  1.88976401e-29  1.70638548e-29]
 [-6.84217222e-30 -2.20469994e-29  1.67253099e-29]]
stress =  [-9.12548751e-13 -9.12548751e-13 -9.12548751e-13 -2.97282724e-28
  3.93228120e-33  5.58955857e-49]
energy per atom =  -9.486422741439059
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0