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 20:14:36     -250.623608        4.9256
BFGS:    1 20:14:36     -251.339856        4.6125
BFGS:    2 20:14:36     -252.004942        4.2524
BFGS:    3 20:14:36     -252.614671        3.8743
BFGS:    4 20:14:36     -253.166307        3.4777
BFGS:    5 20:14:37     -253.657005        3.0617
BFGS:    6 20:14:37     -254.083813        2.6257
BFGS:    7 20:14:37     -254.444097        2.1735
BFGS:    8 20:14:37     -254.734514        1.6951
BFGS:    9 20:14:37     -254.951490        1.1941
BFGS:   10 20:14:37     -255.095440        0.6996
BFGS:   11 20:14:37     -255.159581        0.1515
BFGS:   12 20:14:37     -255.162638        0.0044
BFGS:   13 20:14:37     -255.162641        0.0000
BFGS:   14 20:14:37     -255.162641        0.0000
Minimization converged after 14 steps.
Maximum force component: 1.470828537836316e-30 eV/Angstrom
Maximum stress component: 3.311810085320238e-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]
 [2.11852294e-33 6.04275154e-33 5.00000000e-01]
 [9.62964972e-34 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([[6.884295429492979, 1.908434354568201e-34, -5.4936416443656587e-33], [-1.8463808075806683e-33, 6.884295429492979, -1.7651343517774568e-17], [3.392546103231179e-33, -1.7651343517774562e-17, 6.884295429492979]])
forces =  [[-3.39421970e-31 -4.52562627e-31  3.39421970e-31]
 [ 5.57551456e-65 -2.90092809e-49  1.13140657e-31]
 [ 1.41425821e-31 -2.82851642e-32  1.10312140e-30]
 [ 2.26281314e-31  5.65703284e-31  9.05125254e-31]
 [ 7.35414269e-31 -1.41425821e-30  1.01826591e-30]
 [-4.52562627e-31  3.95992299e-31 -1.01532483e-48]
 [-1.13140657e-31 -5.65703284e-31  6.78843941e-31]
 [-1.69710985e-31 -3.39421970e-31 -1.13140657e-31]
 [ 2.26281314e-31  1.13140657e-30  2.26281314e-31]
 [-3.95992299e-31  4.52562627e-31  2.26281314e-31]
 [ 8.05241651e-64 -1.13140657e-30  1.01826591e-30]
 [ 4.52562627e-31 -3.77120652e-48  1.47082854e-30]
 [-3.39421970e-31  6.78843941e-31 -1.74055685e-48]
 [-5.65703284e-32 -7.35414269e-31  2.82851642e-31]
 [-4.52562627e-31 -1.13140657e-31 -6.78843941e-31]
 [-3.39421970e-31  2.82851642e-31  1.13140657e-31]
 [-2.54566478e-31  2.26281314e-31 -2.82851642e-32]
 [ 3.39421970e-31 -4.29580931e-31  7.07129105e-32]
 [-3.65939312e-31 -1.59104049e-31  1.69710985e-31]
 [-5.81171733e-31 -3.11136806e-31  1.13140657e-31]
 [ 8.48554926e-32  3.11136806e-31  5.65703284e-32]
 [ 3.95992299e-31 -1.41425821e-31 -5.65703284e-32]
 [ 5.65703284e-32  1.13140657e-31  5.65703284e-32]
 [ 2.82851642e-31  5.65703284e-32 -8.48554926e-32]]
stress =  [ 3.31181009e-10  3.31181009e-10  3.31181009e-10  1.83791963e-26
 -5.32615193e-60  1.78387495e-59]
energy per atom =  -10.6317767033765
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0