element(s):
['Fe', 'Ni']
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:
['5.8545']
model name:
EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Fe', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[5.8545, 0, 0], [0, 5.8545, 0], [0, 0, 5.8545]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:19:10      -61.552055         1.135483
BFGS:    1 09:19:10      -61.608012         1.164043
BFGS:    2 09:19:10      -61.788762         1.243804
BFGS:    3 09:19:10      -61.980469         1.309886
BFGS:    4 09:19:10      -62.180979         1.360998
BFGS:    5 09:19:10      -62.387982         1.396530
BFGS:    6 09:19:10      -62.599278         1.418883
BFGS:    7 09:19:10      -62.813197         1.432247
BFGS:    8 09:19:10      -63.028738         1.441363
BFGS:    9 09:19:10      -63.245662         1.451627
BFGS:   10 09:19:10      -63.464590         1.469199
BFGS:   11 09:19:10      -63.687137         1.501120
BFGS:   12 09:19:10      -63.915844         1.550567
BFGS:   13 09:19:10      -64.152636         1.606523
BFGS:   14 09:19:10      -64.397356         1.653485
BFGS:   15 09:19:10      -64.647340         1.673457
BFGS:   16 09:19:10      -64.896869         1.643310
BFGS:   17 09:19:11      -65.137410         1.555400
BFGS:   18 09:19:11      -65.361401         1.425916
BFGS:   19 09:19:11      -65.564231         1.277549
BFGS:   20 09:19:11      -65.745109         1.138117
BFGS:   21 09:19:11      -65.907257         1.029271
BFGS:   22 09:19:11      -66.055393         0.950330
BFGS:   23 09:19:11      -66.193450         0.893084
BFGS:   24 09:19:11      -66.323728         0.843810
BFGS:   25 09:19:11      -66.446108         0.785045
BFGS:   26 09:19:11      -66.557937         0.699968
BFGS:   27 09:19:11      -66.653663         0.565908
BFGS:   28 09:19:11      -66.723733         0.352062
BFGS:   29 09:19:11      -66.753372         0.019617
BFGS:   30 09:19:11      -66.753438         0.004703
BFGS:   31 09:19:11      -66.753442         0.000046
BFGS:   32 09:19:11      -66.753442         0.000000
BFGS:   33 09:19:11      -66.753442         0.000000
Minimization converged after 33 steps.
Maximum force component: 5.392661613919917e-30 eV/Angstrom
Maximum stress component: 2.274575971129752e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni']
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 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [2.56484918e-49 2.88776345e-34 5.00000000e-01]]
cellpar =  Cell([[5.335423010117709, 4.3161661976841043e-32, -5.615902957237604e-33], [2.5650715548669853e-32, 5.335423010117709, 1.4029558311867774e-17], [-1.3665152514638653e-32, 1.4029558311867777e-17, 5.335423010117709]])
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]
 [-2.98130886e-30 -4.77886273e-30  5.39266161e-30]
 [ 2.54836143e-30  8.49453811e-31  3.28820830e-32]
 [-3.43617767e-30 -4.82270551e-30 -4.38427773e-32]
 [ 3.11283719e-30  8.65894853e-31  3.59510774e-30]
 [-3.59510774e-30 -2.41135275e-30  1.27144054e-30]
 [-2.01128741e-30  4.32399392e-30 -2.67440942e-30]
 [-9.64541102e-31  5.00903731e-30  3.97873204e-30]
 [-3.96777135e-30 -4.64733440e-30 -2.29078512e-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 =  [-2.27457597e-13 -2.27457597e-13 -2.27457597e-13  8.28567086e-30
 -5.77326485e-34  4.25006641e-50]
energy per atom =  -4.172090125285526
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0