element(s):
['Cu', 'Mg']
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:
['7.0329']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Mg']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[7.0329, 0, 0], [0, 7.0329, 0], [0, 0, 7.0329]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:14:41     -159.959610         4.755663
BFGS:    1 16:14:41     -160.633884         4.238132
BFGS:    2 16:14:41     -161.232074         3.741079
BFGS:    3 16:14:42     -161.757196         3.263783
BFGS:    4 16:14:42     -162.212162         2.805549
BFGS:    5 16:14:42     -162.599781         2.366009
BFGS:    6 16:14:42     -162.922806         1.943903
BFGS:    7 16:14:42     -163.183808         1.538916
BFGS:    8 16:14:42     -163.385307         1.150443
BFGS:    9 16:14:42     -163.529737         0.777902
BFGS:   10 16:14:42     -163.619446         0.420731
BFGS:   11 16:14:42     -163.656698         0.078388
BFGS:   12 16:14:42     -163.658077         0.002031
BFGS:   13 16:14:42     -163.658078         0.000010
BFGS:   14 16:14:42     -163.658078         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.182882998594976e-30 eV/Angstrom
Maximum stress component: 8.776688536899156e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg']
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 1.57861341e-17 1.00000000e+00]
 [1.00000000e+00 1.57861341e-17 5.00000000e-01]
 [1.00000000e+00 5.00000000e-01 1.00000000e+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([[7.197515247209708, -1.0274143435267185e-32, 1.0458460669455271e-33], [8.138785544094176e-34, 7.197515247209708, -1.72707431913012e-18], [-1.5991559835853738e-34, -1.7270743191301182e-18, 7.197515247209708]])
forces =  [[-2.36576600e-31 -1.18288300e-31 -1.77432450e-31]
 [-9.46306399e-31  5.91441499e-31  3.54864900e-31]
 [-1.18288300e-31 -2.36576600e-31 -5.91441499e-32]
 [-2.36576600e-31 -1.18288300e-31  2.83837794e-50]
 [ 2.36576600e-31  2.36576600e-31 -1.18288300e-31]
 [-1.18288300e-30 -2.36576600e-31  5.67675588e-50]
 [-7.09729799e-31 -1.18288300e-31 -1.77432450e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-4.73153199e-31  3.54864900e-31 -1.18288300e-31]
 [-1.06459470e-30 -2.36576600e-31  5.67675588e-50]
 [ 5.48171557e-65  4.73153199e-31 -5.91441499e-32]
 [ 2.36576600e-31 -1.18288300e-31  5.91441499e-32]
 [-1.18288300e-31  2.83837794e-50 -1.18288300e-31]
 [ 8.28018099e-31  1.18288300e-31 -1.77432450e-31]
 [-8.28018099e-31 -2.36576600e-31  2.36576600e-31]
 [-4.73153199e-31 -1.18288300e-31 -3.54864900e-31]
 [-2.66841770e-32  8.77920976e-33  3.46547753e-34]
 [ 5.89131181e-33 -4.29719214e-32  1.03112949e-50]
 [ 1.38619101e-32 -7.79732445e-33  5.54476406e-33]
 [ 3.41927117e-32 -5.31373222e-33 -1.29377828e-32]
 [-1.01654008e-32 -2.95720750e-32 -1.10895281e-32]
 [ 9.24127343e-33 -1.47860375e-32  3.69650937e-33]
 [ 4.34785979e-66  3.88133484e-32  1.84825469e-33]
 [ 4.25098578e-32 -1.29377828e-32  4.15857304e-33]]
stress =  [-8.77668854e-11 -8.77668854e-11 -8.77668854e-11  1.37570652e-27
  1.98277770e-35 -3.04264795e-52]
energy per atom =  -6.8190865654420065
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0