element(s):
['Al', 'Fe']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.9793']
model name:
EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Fe', 'Fe']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.9793, 0, 0], [0, 5.9793, 0], [0, 0, 5.9793]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:16:40      -66.192276         0.458235
BFGS:    1 12:16:40      -66.201210         0.451530
BFGS:    2 12:16:40      -66.265156         0.401346
BFGS:    3 12:16:40      -66.321655         0.351988
BFGS:    4 12:16:41      -66.370729         0.302145
BFGS:    5 12:16:41      -66.412209         0.250460
BFGS:    6 12:16:41      -66.445806         0.197397
BFGS:    7 12:16:41      -66.471380         0.143355
BFGS:    8 12:16:41      -66.488720         0.087485
BFGS:    9 12:16:41      -66.497498         0.029068
BFGS:   10 12:16:41      -66.498545         0.001143
BFGS:   11 12:16:41      -66.498546         0.000015
BFGS:   12 12:16:41      -66.498546         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.171387020733468e-30 eV/Angstrom
Maximum stress component: 4.3246253469861653e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [9.40774545e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.31005616e-35]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.35193636e-49 0.00000000e+00]
 [4.70387273e-49 5.00000000e-01 0.00000000e+00]
 [2.04939860e-67 0.00000000e+00 5.00000000e-01]
 [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]]
cellpar =  Cell([[5.818420740959366, 2.245396433503103e-32, 1.6746326796515556e-33], [1.801217675319548e-32, 5.818420740959366, -3.1081350388442685e-18], [1.5747643381761586e-33, -3.10813503884427e-18, 5.818420740959366]])
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]
 [ 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]
 [ 3.58587863e-32  2.62964433e-31  3.22729077e-31]
 [-1.55388074e-31 -4.99034777e-31  7.47058049e-31]
 [-9.26351981e-32  1.19529288e-31 -1.17138702e-30]
 [-1.31482217e-31 -6.18564065e-31 -5.61787653e-31]
 [ 6.81316941e-31 -5.02023009e-31 -6.09599368e-31]
 [-3.52611399e-31 -5.19952402e-31 -1.91246861e-31]
 [-4.06399579e-31 -4.30305436e-31  1.08771652e-30]
 [ 5.25928866e-31 -4.06399579e-31  9.56234303e-32]]
stress =  [ 4.32462535e-10  4.32462535e-10  4.32462535e-10  1.91893196e-26
 -3.94432162e-34 -7.39582389e-51]
energy per atom =  -4.156159154166388
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0