element(s):
['Co', 'V']
AFLOW prototype label:
AB3_cP8_223_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.6652']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'V']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.   0.5 ]]
spacegroup =  223
cell =  [[4.6652, 0, 0], [0, 4.6652, 0], [0, 0, 4.6652]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:03:30      105.333762      196.3016
BFGS:    1 09:03:30       77.442457      175.9175
BFGS:    2 09:03:30       52.454742      157.5249
BFGS:    3 09:03:30       30.102110      140.7851
BFGS:    4 09:03:30       10.137040      125.6472
BFGS:    5 09:03:30       -7.667226      111.9431
BFGS:    6 09:03:30      -23.509154       99.4875
BFGS:    7 09:03:30      -37.572038       88.2035
BFGS:    8 09:03:30      -50.028440       78.0273
BFGS:    9 09:03:30      -61.026701       68.7693
BFGS:   10 09:03:30      -70.705773       60.4167
BFGS:   11 09:03:30      -79.189691       52.8285
BFGS:   12 09:03:30      -86.590418       45.9625
BFGS:   13 09:03:30      -93.011247       39.7527
BFGS:   14 09:03:30      -98.546017       34.1389
BFGS:   15 09:03:30     -103.281617       29.0965
BFGS:   16 09:03:30     -107.296638       24.5153
BFGS:   17 09:03:30     -110.658575       20.3816
BFGS:   18 09:03:30     -113.431495       16.6567
BFGS:   19 09:03:30     -115.674641       13.3278
BFGS:   20 09:03:30     -117.443118       10.3053
BFGS:   21 09:03:30     -118.781489        7.5882
BFGS:   22 09:03:30     -119.735949        5.1767
BFGS:   23 09:03:30     -120.345361        2.9889
BFGS:   24 09:03:30     -120.644083        1.0305
BFGS:   25 09:03:30     -120.687740        0.0850
BFGS:   26 09:03:30     -120.688052        0.0027
BFGS:   27 09:03:30     -120.688052        0.0000
BFGS:   28 09:03:30     -120.688052        0.0000
Minimization converged after 28 steps.
Maximum force component: 1.4151505070237325e-30 eV/Angstrom
Maximum stress component: 4.0249169229470295e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'V', 'V', 'V', 'V', 'V', 'V']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.50000000e-01 2.86290555e-34 5.00000000e-01]
 [7.50000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 1.21673486e-33]
 [5.21261219e-34 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.3817491689257535, -8.672093138368054e-33, -8.683428796278489e-34], [-1.8587957021223712e-32, 5.3817491689257535, 4.3364013940671804e-18], [8.509549963278615e-33, 4.336401394067167e-18, 5.3817491689257535]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.41515051e-30 -1.03648719e-32  2.21117267e-32]
 [ 1.41515051e-30 -3.31675900e-32 -2.67251369e-50]
 [-4.88558569e-63  1.41515051e-30  1.38198292e-33]
 [ 4.81784533e-63 -1.41515051e-30 -4.42234533e-32]
 [ 1.10558633e-32  2.21117267e-32  1.78167580e-50]
 [-2.21117267e-32  3.56306002e-65  3.56771745e-66]]
stress =  [-4.02491692e-11 -4.02491692e-11 -4.02491692e-11  1.83625659e-27
 -6.38358747e-34  3.20664222e-50]
energy per atom =  -15.086006478662458
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0