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 16:53:45     -159.959610         4.755663
BFGS:    1 16:53:45     -160.633884         4.238132
BFGS:    2 16:53:46     -161.232074         3.741079
BFGS:    3 16:53:46     -161.757196         3.263783
BFGS:    4 16:53:47     -162.212162         2.805549
BFGS:    5 16:53:47     -162.599781         2.366009
BFGS:    6 16:53:48     -162.922806         1.943903
BFGS:    7 16:53:48     -163.183808         1.538916
BFGS:    8 16:53:49     -163.385307         1.150443
BFGS:    9 16:53:49     -163.529737         0.777902
BFGS:   10 16:53:50     -163.619446         0.420731
BFGS:   11 16:53:50     -163.656698         0.078388
BFGS:   12 16:53:51     -163.658077         0.002031
BFGS:   13 16:53:52     -163.658078         0.000010
BFGS:   14 16:53:52     -163.658078         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.0645946987354784e-30 eV/Angstrom
Maximum stress component: 8.776691693126776e-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, -6.111500767526843e-35, -1.3969468983556465e-33], [4.4910350961684735e-33, 7.197515247209708, -6.484647758165602e-18], [-1.9368950553026233e-34, -6.484647758165602e-18, 7.197515247209708]])
forces =  [[-8.28018099e-31  7.09729799e-31 -1.18288300e-31]
 [ 2.36576600e-31 -4.26290425e-49  4.73153199e-31]
 [-2.36576600e-31 -8.28018099e-31  2.36576600e-31]
 [ 7.09729799e-31 -4.26290425e-49  4.73153199e-31]
 [-7.09729799e-31  3.54864900e-31  2.36576600e-31]
 [ 1.66716010e-64  2.36576600e-31 -7.09729799e-31]
 [ 4.73153199e-31  2.36576600e-31 -2.36576600e-31]
 [-8.28018099e-31  2.36576600e-31  5.91441499e-31]
 [-4.73153199e-31 -4.73153199e-31  3.54864900e-31]
 [ 2.36576600e-31  2.13145213e-49 -2.36576600e-31]
 [ 4.73153199e-31  2.36576600e-31 -2.13145213e-49]
 [-6.00016632e-64 -9.46306399e-31  3.54864900e-31]
 [-4.73153199e-31 -2.36576600e-31  2.36576600e-31]
 [-5.91441499e-31 -1.18288300e-31  3.54864900e-31]
 [ 2.36576600e-31 -2.13145213e-49  2.36576600e-31]
 [-1.06459470e-30  3.54864900e-31 -3.19717819e-49]
 [-6.00682773e-33  2.24100881e-32  1.10895281e-32]
 [-2.77238203e-33 -3.69650937e-33  9.24127343e-34]
 [-3.69650937e-33  1.84825469e-32  1.20136555e-32]
 [ 2.58755656e-32 -2.74927884e-32  2.77238203e-32]
 [-3.97374757e-32 -2.44893746e-32  2.40273109e-32]
 [ 9.24127343e-34  2.77238203e-32  1.20136555e-32]
 [ 1.47860375e-32 -3.18823933e-32 -1.10895281e-32]
 [-2.03308015e-32  3.60409664e-32 -9.24127343e-33]]
stress =  [-8.77669169e-11 -8.77669169e-11 -8.77669169e-11 -1.39311936e-27
  3.96555541e-35 -1.60136709e-51]
energy per atom =  -6.819086565442003
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0