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 11:30:35      -61.552055         1.135483
BFGS:    1 11:30:35      -61.608012         1.164043
BFGS:    2 11:30:35      -61.788762         1.243804
BFGS:    3 11:30:35      -61.980469         1.309886
BFGS:    4 11:30:35      -62.180979         1.360998
BFGS:    5 11:30:35      -62.387982         1.396530
BFGS:    6 11:30:35      -62.599278         1.418883
BFGS:    7 11:30:35      -62.813197         1.432247
BFGS:    8 11:30:35      -63.028738         1.441363
BFGS:    9 11:30:35      -63.245662         1.451627
BFGS:   10 11:30:35      -63.464590         1.469199
BFGS:   11 11:30:35      -63.687137         1.501120
BFGS:   12 11:30:35      -63.915844         1.550567
BFGS:   13 11:30:35      -64.152636         1.606523
BFGS:   14 11:30:35      -64.397356         1.653485
BFGS:   15 11:30:35      -64.647340         1.673457
BFGS:   16 11:30:35      -64.896869         1.643310
BFGS:   17 11:30:35      -65.137410         1.555400
BFGS:   18 11:30:35      -65.361401         1.425916
BFGS:   19 11:30:35      -65.564231         1.277549
BFGS:   20 11:30:35      -65.745109         1.138117
BFGS:   21 11:30:35      -65.907257         1.029271
BFGS:   22 11:30:35      -66.055393         0.950330
BFGS:   23 11:30:35      -66.193450         0.893084
BFGS:   24 11:30:35      -66.323728         0.843810
BFGS:   25 11:30:35      -66.446108         0.785045
BFGS:   26 11:30:36      -66.557937         0.699968
BFGS:   27 11:30:36      -66.653663         0.565908
BFGS:   28 11:30:36      -66.723733         0.352062
BFGS:   29 11:30:36      -66.753372         0.019617
BFGS:   30 11:30:36      -66.753438         0.004703
BFGS:   31 11:30:36      -66.753442         0.000046
BFGS:   32 11:30:36      -66.753442         0.000000
BFGS:   33 11:30:36      -66.753442         0.000000
Minimization converged after 33 steps.
Maximum force component: 1.1223751001329256e-29 eV/Angstrom
Maximum stress component: 2.2747806446639557e-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 =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]
 [2.5000000e-01 2.5000000e-01 2.5000000e-01]
 [7.5000000e-01 7.5000000e-01 2.5000000e-01]
 [7.5000000e-01 2.5000000e-01 7.5000000e-01]
 [2.5000000e-01 7.5000000e-01 7.5000000e-01]
 [2.5000000e-01 2.5000000e-01 7.5000000e-01]
 [7.5000000e-01 7.5000000e-01 7.5000000e-01]
 [2.5000000e-01 7.5000000e-01 2.5000000e-01]
 [7.5000000e-01 2.5000000e-01 2.5000000e-01]
 [5.0000000e-01 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 0.0000000e+00]
 [2.4045461e-50 0.0000000e+00 5.0000000e-01]]
cellpar =  Cell([[5.335423010117709, 1.4100831096864966e-32, 5.121803614290133e-34], [1.1574293198429225e-32, 5.335423010117709, 1.7596942909437608e-17], [-4.812478240986985e-34, 1.75969429094376e-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]
 [ 7.89169992e-31 -3.50742219e-31 -1.06592752e-29]
 [ 4.87750898e-31 -1.95374377e-30 -1.12210108e-29]
 [ 2.31818685e-30 -3.06899441e-31  1.12237510e-29]
 [-8.76855547e-32 -2.47163657e-30  9.38235435e-30]
 [-8.33012770e-31  2.67440942e-30  1.10483799e-29]
 [-9.53580407e-31 -1.10703013e-30  1.04784238e-29]
 [-1.18375499e-30 -2.49629814e-30 -9.22342428e-30]
 [-9.80982143e-31  2.45519553e-30 -1.10538602e-29]
 [ 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 =  [-2.27478064e-13 -2.27478064e-13 -2.27478064e-13 -4.12928005e-32
 -2.34538885e-34 -9.20057510e-52]
energy per atom =  -4.172090125285527
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0