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 10:10:08     -151.836134         4.484776
BFGS:    1 10:10:08     -152.473677         4.009961
BFGS:    2 10:10:08     -153.037322         3.499130
BFGS:    3 10:10:08     -153.522466         2.957565
BFGS:    4 10:10:08     -153.922433         2.368411
BFGS:    5 10:10:08     -154.230854         1.736543
BFGS:    6 10:10:08     -154.441135         1.059467
BFGS:    7 10:10:08     -154.547063         0.341738
BFGS:    8 10:10:08     -154.558587         0.020961
BFGS:    9 10:10:08     -154.558630         0.000318
BFGS:   10 10:10:08     -154.558630         0.000000
BFGS:   11 10:10:09     -154.558630         0.000000
Minimization converged after 11 steps.
Maximum force component: 5.2150794326204005e-30 eV/Angstrom
Maximum stress component: 3.331434087835116e-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 =  [[4.78687335e-49 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]
 [5.38649204e-49 7.58634067e-17 5.00000000e-01]
 [1.06289940e-64 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, -4.3951185289161444e-32, -5.7892111286369e-33], [2.0283723125396516e-32, 5.717533900972233, 6.160954856391129e-18], [-1.0461228857589633e-33, 6.1609548563913945e-18, 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-31 -9.39653952e-31  1.78534251e-30]
 [-1.78534251e-30 -2.86594455e-30 -4.69826976e-32]
 [ 5.21507943e-30  4.13447739e-30 -7.51723161e-31]
 [-1.36249823e-30  2.93641860e-30 -1.50344632e-30]
 [ 4.48684762e-30  3.57068502e-30  3.84760800e-48]
 [ 2.81896186e-31  1.50344632e-30 -1.12758474e-30]
 [ 9.86636649e-31 -3.54719367e-30 -2.91292725e-30]
 [ 9.39653952e-31 -1.12758474e-30  4.88620055e-30]]
stress =  [-3.33143409e-13 -3.33143409e-13 -3.33143409e-13  7.43081812e-29
 -2.51368992e-34  1.71496829e-50]
energy per atom =  -9.659914350355894
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0