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 16:06:52      -24.721296        0.9663
BFGS:    1 16:06:53      -24.760962        0.9493
BFGS:    2 16:06:53      -24.898581        0.8847
BFGS:    3 16:06:54      -25.026124        0.8149
BFGS:    4 16:06:54      -25.142785        0.7396
BFGS:    5 16:06:55      -25.247761        0.6614
BFGS:    6 16:06:55      -25.340503        0.5741
BFGS:    7 16:06:56      -25.419657        0.4802
BFGS:    8 16:06:56      -25.484208        0.3793
BFGS:    9 16:06:57      -25.533313        0.2742
BFGS:   10 16:06:57      -25.565839        0.1582
BFGS:   11 16:06:58      -25.580355        0.0339
BFGS:   12 16:06:58      -25.581022        0.0015
BFGS:   13 16:06:58      -25.581023        0.0000
BFGS:   14 16:06:59      -25.581023        0.0000
Minimization converged after 14 steps.
Maximum force component: 4.227394940337437e-31 eV/Angstrom
Maximum stress component: 2.08265343036844e-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 3.17275524e-34 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 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 1.05758508e-34]
 [5.63594547e-49 3.17275524e-34 5.00000000e-01]]
cellpar =  Cell([[7.284255354590742, 4.852728116734394e-32, 6.264887187077333e-34], [3.113956259323256e-33, 7.284255354590742, -8.723657764681399e-18], [1.6137009484214012e-32, -8.723657764681397e-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]
 [-1.87052873e-32 -3.74105747e-33  2.61874023e-32]
 [-1.01008552e-31  2.20722391e-31  2.58132965e-31]
 [ 5.23748046e-32  5.06274765e-49 -4.22739494e-31]
 [ 8.23032643e-32  1.68347586e-31 -1.87052873e-31]
 [-3.74105747e-33  1.04749609e-31 -6.73390344e-32]
 [-2.89931954e-32 -3.39500965e-31 -1.75829701e-31]
 [ 1.12231724e-32 -1.90793931e-31  1.19713839e-31]
 [ 9.21235402e-32  9.72674942e-32 -1.01710000e-32]
 [ 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 =  [ 2.08265343e-10  2.08265343e-10  2.08265343e-10 -3.81960122e-26
 -1.54866997e-34  2.72116164e-50]
energy per atom =  -1.598813947548621
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0