element(s):
['Mg', 'Nd']
AFLOW prototype label:
A3B_cF16_225_ac_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.5323']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg', 'Mg', 'Nd']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[7.5323, 0, 0], [0, 7.5323, 0], [0, 0, 7.5323]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:18:57      -24.721296         0.966285
BFGS:    1 09:18:58      -24.760962         0.949333
BFGS:    2 09:18:58      -24.898581         0.884742
BFGS:    3 09:18:58      -25.026124         0.814933
BFGS:    4 09:18:58      -25.142785         0.739595
BFGS:    5 09:18:58      -25.247761         0.661418
BFGS:    6 09:18:58      -25.340503         0.574083
BFGS:    7 09:18:58      -25.419657         0.480177
BFGS:    8 09:18:58      -25.484208         0.379311
BFGS:    9 09:18:58      -25.533313         0.274155
BFGS:   10 09:18:58      -25.565839         0.158182
BFGS:   11 09:18:58      -25.580355         0.033946
BFGS:   12 09:18:58      -25.581022         0.001501
BFGS:   13 09:18:58      -25.581023         0.000013
BFGS:   14 09:18:58      -25.581023         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.8707625507544157e-30 eV/Angstrom
Maximum stress component: 2.0826536719285322e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Nd', 'Nd', 'Nd', 'Nd']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 3.28763486e-49]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[7.284255354590742, -3.778040970510465e-32, 4.172729161874155e-33], [-4.74006812377899e-33, 7.284255354590742, 9.150664025002383e-18], [1.8762911583538452e-32, 9.150664025002396e-18, 7.284255354590742]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-3.44177287e-31 -1.10735301e-30  1.40289655e-32]
 [ 6.25458046e-31  1.87076255e-30 -1.08864772e-30]
 [-6.19612643e-31 -8.08068413e-31 -1.49642299e-31]
 [ 3.59141517e-31  1.84925147e-30 -2.99284598e-32]
 [ 1.04749609e-31 -1.01756763e-30 -5.23748046e-31]
 [ 9.30588045e-32  1.30937011e-30 -6.13533425e-31]
 [ 2.54391908e-31  1.21724657e-30 -5.50403080e-31]
 [ 9.35264367e-33 -1.15224570e-30 -1.59275522e-30]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [2.08265367e-10 2.08265367e-10 2.08265367e-10 4.52747580e-26
 6.96901486e-34 9.92556815e-50]
energy per atom =  -1.5988139475486223
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0