element(s):
['Co', 'Fe']
AFLOW prototype label:
AB15_cP16_221_a_bcdg
Parameter names:
['a', 'x5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.9305', '0.24462472']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Fe', 'Fe', 'Fe', 'Fe']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.5        0.5        0.5       ]
 [0.         0.5        0.5       ]
 [0.5        0.         0.        ]
 [0.24462472 0.24462472 0.24462472]]
spacegroup =  221
cell =  [[5.9305, 0, 0], [0, 5.9305, 0], [0, 0, 5.9305]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:14:46     -148.709916        4.1966
BFGS:    1 17:14:46     -149.442759        3.7962
BFGS:    2 17:14:46     -150.015296        3.3108
BFGS:    3 17:14:46     -150.480835        2.7731
BFGS:    4 17:14:46     -150.853526        2.1901
BFGS:    5 17:14:46     -151.134442        1.5632
BFGS:    6 17:14:46     -151.319067        0.8911
BFGS:    7 17:14:46     -151.400594        0.1749
BFGS:    8 17:14:46     -151.403881        0.0135
BFGS:    9 17:14:46     -151.403900        0.0048
BFGS:   10 17:14:46     -151.403902        0.0003
BFGS:   11 17:14:46     -151.403902        0.0000
BFGS:   12 17:14:46     -151.403902        0.0000
BFGS:   13 17:14:46     -151.403902        0.0000
Minimization converged after 13 steps.
Maximum force component: 3.6897786258132546e-09 eV/Angstrom
Maximum stress component: 1.0803959650310012e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Fe', '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 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 1.32903766e-34 5.00000000e-01]
 [2.47870654e-01 2.47870654e-01 2.47870654e-01]
 [7.52129346e-01 7.52129346e-01 2.47870654e-01]
 [7.52129346e-01 2.47870654e-01 7.52129346e-01]
 [2.47870654e-01 7.52129346e-01 7.52129346e-01]
 [2.47870654e-01 2.47870654e-01 7.52129346e-01]
 [7.52129346e-01 7.52129346e-01 7.52129346e-01]
 [2.47870654e-01 7.52129346e-01 2.47870654e-01]
 [7.52129346e-01 2.47870654e-01 2.47870654e-01]]
cellpar =  Cell([[5.796464620322421, 8.959414289786385e-33, 3.3348821389936867e-34], [7.717445185667811e-33, 5.796464620322421, 1.163722218392163e-17], [-2.3878948450109736e-33, 1.1637222183921661e-17, 5.796464620322421]])
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]
 [ 3.68977863e-09  3.68977863e-09  3.68977863e-09]
 [-3.68977863e-09 -3.68977863e-09  3.68977863e-09]
 [-3.68977863e-09  3.68977863e-09 -3.68977863e-09]
 [ 3.68977863e-09 -3.68977863e-09 -3.68977863e-09]
 [ 3.68977863e-09  3.68977863e-09 -3.68977863e-09]
 [-3.68977863e-09 -3.68977863e-09 -3.68977863e-09]
 [ 3.68977863e-09 -3.68977863e-09  3.68977863e-09]
 [-3.68977863e-09  3.68977863e-09  3.68977863e-09]]
stress =  [ 1.08039597e-10  1.08039597e-10  1.08039597e-10  4.15303787e-28
  5.86967511e-33 -4.52898549e-51]
energy per atom =  -9.462743845369422
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0