element(s):
['Mg', 'Nd']
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:
['8.9016']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg', 'Nd']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[8.9016, 0, 0], [0, 8.9016, 0], [0, 0, 8.9016]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:53:44      -48.773744         1.403297
BFGS:    1 16:53:44      -48.857559         1.383906
BFGS:    2 16:53:45      -49.061409         1.333644
BFGS:    3 16:53:45      -49.257512         1.280585
BFGS:    4 16:53:46      -49.445440         1.224620
BFGS:    5 16:53:46      -49.624747         1.165631
BFGS:    6 16:53:47      -49.794972         1.103500
BFGS:    7 16:53:47      -49.955907         1.042143
BFGS:    8 16:53:48      -50.107117         0.973410
BFGS:    9 16:53:48      -50.247753         0.901148
BFGS:   10 16:53:49      -50.377578         0.828509
BFGS:   11 16:53:49      -50.495926         0.748817
BFGS:   12 16:53:50      -50.602025         0.665165
BFGS:   13 16:53:50      -50.695270         0.577397
BFGS:   14 16:53:51      -50.775030         0.485351
BFGS:   15 16:53:51      -50.840653         0.388861
BFGS:   16 16:53:52      -50.891458         0.287752
BFGS:   17 16:53:52      -50.926738         0.181844
BFGS:   18 16:53:53      -50.945761         0.070949
BFGS:   19 16:53:53      -50.949069         0.002066
BFGS:   20 16:53:54      -50.949072         0.000048
BFGS:   21 16:53:54      -50.949072         0.000000
BFGS:   22 16:53:55      -50.949072         0.000000
Minimization converged after 22 steps.
Maximum force component: 7.920067478310063e-31 eV/Angstrom
Maximum stress component: 6.7103871904913825e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Nd', 'Nd', 'Nd', 'Nd', 'Nd', 'Nd', 'Nd', 'Nd']
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 3.85166092e-33 2.19798280e-33]
 [1.02686936e-33 0.00000000e+00 5.00000000e-01]
 [1.15529477e-33 5.00000000e-01 1.61854889e-33]
 [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([[8.567362809794416, 6.387947089106977e-33, -5.281251571643227e-34], [4.1668946409651215e-33, 8.567362809794416, 2.5230221946269126e-17], [-1.5966851115694562e-32, 2.5230221946269126e-17, 8.567362809794416]])
forces =  [[ 1.15500984e-32  1.54001312e-32 -2.64002249e-32]
 [ 4.40003749e-32 -8.36007123e-32  2.75002343e-32]
 [-1.65001406e-32  1.21001031e-32 -1.43001218e-32]
 [ 1.76001500e-32  6.93005904e-32 -8.80007498e-32]
 [-2.86002437e-32  7.57631455e-32 -3.07315118e-32]
 [-1.32001125e-32  1.76001500e-32  1.54001312e-32]
 [-8.80007498e-33  1.01200862e-31  5.28004499e-32]
 [ 1.88376605e-32  2.09001781e-32 -1.50220030e-32]
 [ 2.64002249e-32 -4.73004030e-32  1.76001500e-32]
 [-4.40003749e-33  2.64002249e-32  6.60005623e-33]
 [ 7.70006560e-33  8.80007498e-33  2.20001874e-32]
 [-1.87001593e-32  2.20001874e-32  4.40003749e-33]
 [-8.80007498e-33  3.96003374e-32 -1.95251664e-32]
 [ 5.69254850e-32  4.97754241e-32  6.38005436e-32]
 [-2.36502015e-32  4.40003749e-33 -2.64002249e-32]
 [ 1.40853844e-65  1.21001031e-32 -4.40003749e-33]
 [-7.04005998e-31 -6.33605398e-31 -1.40801200e-31]
 [ 1.76001500e-31 -3.52002999e-31  1.40801200e-31]
 [-7.04005998e-31  5.28004499e-31 -3.87203299e-31]
 [ 1.40801200e-31 -6.51205548e-31 -1.40801200e-31]
 [-1.82601556e-31 -4.79604086e-31  7.04005998e-32]
 [ 3.87203299e-31  7.92006748e-31  4.22403599e-31]
 [ 7.04005998e-32 -6.33605398e-31 -4.22403599e-31]
 [ 1.52351298e-31 -3.16802699e-31  1.01200862e-31]]
stress =  [-6.71038719e-15 -6.71038719e-15 -6.71038719e-15 -5.81345039e-32
 -4.47811121e-34 -6.27725035e-51]
energy per atom =  -2.1228779869118966
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0