element(s):
['Co', 'Ti']
AFLOW prototype label:
A2B_cF24_227_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.0498']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Ti']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[7.0498, 0, 0], [0, 7.0498, 0], [0, 0, 7.0498]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:13:00     -250.623608         4.925617
BFGS:    1 17:13:00     -251.339856         4.612511
BFGS:    2 17:13:01     -252.004942         4.252367
BFGS:    3 17:13:01     -252.614671         3.874316
BFGS:    4 17:13:01     -253.166307         3.477666
BFGS:    5 17:13:01     -253.657005         3.061697
BFGS:    6 17:13:01     -254.083813         2.625662
BFGS:    7 17:13:01     -254.444097         2.173501
BFGS:    8 17:13:01     -254.734514         1.695054
BFGS:    9 17:13:01     -254.951490         1.194131
BFGS:   10 17:13:01     -255.095440         0.699576
BFGS:   11 17:13:01     -255.159581         0.151521
BFGS:   12 17:13:02     -255.162638         0.004399
BFGS:   13 17:13:02     -255.162641         0.000027
BFGS:   14 17:13:02     -255.162641         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.796107926011655e-30 eV/Angstrom
Maximum stress component: 3.3117716747161264e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[1.25000000e-01 1.25000000e-01 1.25000000e-01]
 [8.75000000e-01 3.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 8.75000000e-01]
 [6.25000000e-01 8.75000000e-01 3.75000000e-01]
 [3.75000000e-01 8.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 3.75000000e-01]
 [6.25000000e-01 3.75000000e-01 8.75000000e-01]
 [1.25000000e-01 6.25000000e-01 6.25000000e-01]
 [8.75000000e-01 8.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 3.75000000e-01]
 [3.75000000e-01 3.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 8.75000000e-01]
 [6.25000000e-01 1.25000000e-01 6.25000000e-01]
 [1.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 6.25000000e-01 1.25000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 1.34283368e-33 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[6.884295429492977, -6.941490678979338e-33, -1.3815711278034646e-32], [-1.4333004484007203e-32, 6.884295429492977, -1.6122878208413684e-17], [3.993246063432351e-33, -1.6122878208413702e-17, 6.884295429492977]])
forces =  [[ 5.65703284e-31  5.65703284e-31  5.65703284e-32]
 [ 5.65703284e-31  5.93988448e-31 -1.39110872e-48]
 [ 1.68932921e-63 -6.22273612e-31  6.78843941e-31]
 [ 6.64701358e-31  8.48554926e-32  5.65703284e-31]
 [-7.35414269e-31 -1.41425821e-32 -4.52562627e-31]
 [ 2.26281314e-31 -4.38420045e-31  1.13140657e-31]
 [ 2.82851642e-32 -8.48554926e-32  1.98729817e-49]
 [ 6.64701358e-31  2.26281314e-31 -5.29946179e-49]
 [-2.26281314e-31 -5.93988448e-31 -5.09132955e-31]
 [ 3.81849717e-31 -3.95992299e-31  6.78843941e-31]
 [ 7.35414269e-31 -2.26281314e-31  3.39421970e-31]
 [ 1.13140657e-31 -5.09132955e-31  1.35238441e-31]
 [ 4.43723513e-31  4.52562627e-31  1.13140657e-31]
 [ 4.24277463e-32 -7.07129105e-32 -6.11666676e-31]
 [-1.01826591e-30  6.36416194e-32 -1.49047363e-49]
 [ 7.63699433e-31  2.26281314e-31 -3.67707134e-31]
 [ 5.65703284e-32  6.22273612e-31 -5.65703284e-32]
 [ 5.65703284e-31 -3.39421970e-31 -2.82851642e-31]
 [-2.82851642e-32 -3.39421970e-31  2.82851642e-31]
 [ 2.82851642e-31  6.78843941e-31  1.69710985e-31]
 [ 5.65703284e-32  4.24277463e-31  5.93988448e-31]
 [-4.38420045e-31 -1.41425821e-31  3.11136806e-31]
 [-7.07129105e-33  1.79610793e-30 -2.68709060e-31]
 [ 2.82851642e-32 -6.64701358e-31 -2.82851642e-32]]
stress =  [ 3.31177167e-10  3.31177167e-10  3.31177167e-10 -3.47804500e-26
 -4.33461182e-35  1.24731058e-51]
energy per atom =  -10.631776703376524
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0