element(s):
['Co', 'Fe']
AFLOW prototype label:
A3B5_cI16_229_b_ac
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8538']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Fe', 'Fe']
representative atom coordinates =  [[0.   0.5  0.5 ]
 [0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  229
cell =  [[5.8538, 0, 0], [0, 5.8538, 0], [0, 0, 5.8538]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 01:11:59     -151.836134        4.4848
BFGS:    1 01:11:59     -152.473677        4.0100
BFGS:    2 01:11:59     -153.037322        3.4991
BFGS:    3 01:11:59     -153.522466        2.9576
BFGS:    4 01:11:59     -153.922433        2.3684
BFGS:    5 01:11:59     -154.230854        1.7365
BFGS:    6 01:11:59     -154.441135        1.0595
BFGS:    7 01:11:59     -154.547063        0.3417
BFGS:    8 01:11:59     -154.558587        0.0210
BFGS:    9 01:11:59     -154.558630        0.0003
BFGS:   10 01:11:59     -154.558630        0.0000
BFGS:   11 01:11:59     -154.558630        0.0000
Minimization converged after 11 steps.
Maximum force component: 3.871374281512802e-29 eV/Angstrom
Maximum stress component: 3.3261118779847827e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.51726813e-16 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.51726813e-16]
 [5.00000000e-01 7.58634067e-17 7.58634067e-17]
 [0.00000000e+00 5.00000000e-01 7.58634067e-17]
 [5.80762902e-51 7.58634067e-17 5.00000000e-01]
 [0.00000000e+00 7.58634067e-17 7.58634067e-17]
 [5.00000000e-01 5.00000000e-01 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([[5.717533900972233, -9.817844595524075e-33, 1.0863655848725691e-34], [-1.1148006990469978e-32, 5.717533900972233, 6.463304191846697e-19], [-1.0430062626016308e-34, 6.463304191849552e-19, 5.717533900972233]])
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]
 [ 1.17456744e-30 -2.25516948e-29  7.02391329e-30]
 [-1.12758474e-30  1.21215360e-29  2.91292725e-30]
 [-3.75861581e-31 -3.75861581e-30 -2.21758333e-29]
 [ 1.87930790e-31  4.46335627e-30 -3.87137428e-29]
 [-3.99352930e-31 -1.61620480e-29  7.89309320e-30]
 [-1.12758474e-30  2.78137570e-29 -9.77240110e-30]
 [ 3.24180613e-30  2.70620338e-29  7.04740464e-30]
 [ 1.12758474e-30 -2.14241101e-29  2.26808973e-29]]
stress =  [-3.32611188e-13 -3.32611188e-13 -3.32611188e-13  1.77516432e-32
 -1.50821395e-33 -8.96344462e-53]
energy per atom =  -9.659914350355892
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0