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 13:53:22      -66.192276        0.4582
BFGS:    1 13:53:22      -66.201210        0.4515
BFGS:    2 13:53:22      -66.265156        0.4013
BFGS:    3 13:53:22      -66.321655        0.3520
BFGS:    4 13:53:22      -66.370729        0.3021
BFGS:    5 13:53:22      -66.412209        0.2505
BFGS:    6 13:53:22      -66.445806        0.1974
BFGS:    7 13:53:22      -66.471380        0.1434
BFGS:    8 13:53:22      -66.488720        0.0875
BFGS:    9 13:53:22      -66.497498        0.0291
BFGS:   10 13:53:22      -66.498545        0.0011
BFGS:   11 13:53:22      -66.498546        0.0000
BFGS:   12 13:53:22      -66.498546        0.0000
Minimization converged after 12 steps.
Maximum force component: 9.920930889885495e-31 eV/Angstrom
Maximum stress component: 4.324625760785267e-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]
 [4.70387273e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.62011233e-35]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.52790454e-49 0.00000000e+00]
 [4.70387273e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 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, 8.988380750317014e-33, 3.7118944131936886e-33], [4.263883933550839e-32, 5.818420740959366, 2.7528682960873818e-18], [-1.0269347514263513e-32, 2.7528682960873806e-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]
 [ 7.17175727e-32  1.19529288e-31 -2.21129182e-31]
 [-5.37881795e-32 -9.80140160e-31 -9.56234303e-32]
 [-5.97646439e-33  1.31482217e-31  7.05222798e-31]
 [ 2.39058576e-32 -9.92093089e-31  5.37881795e-31]
 [ 5.02023009e-31  7.88893300e-31  2.27105647e-31]
 [-3.58587863e-32 -5.25928866e-31  1.19529288e-32]
 [ 1.19529288e-32 -6.09599368e-31 -8.30728550e-31]
 [ 5.61787653e-31  4.66164223e-31 -7.94869764e-31]]
stress =  [ 4.32462576e-10  4.32462576e-10  4.32462576e-10 -1.17339893e-26
 -4.93040203e-35  7.87351446e-52]
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