element(s):
['Al', 'Fe', 'Ni']
AFLOW prototype label:
AB2C_cF16_225_a_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:
['5.9354']
model name:
EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Fe', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[5.9354, 0, 0], [0, 5.9354, 0], [0, 0, 5.9354]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:09:43      -66.528640        0.8589
BFGS:    1 14:09:43      -66.560014        0.8457
BFGS:    2 14:09:43      -66.682764        0.7906
BFGS:    3 14:09:43      -66.797106        0.7339
BFGS:    4 14:09:43      -66.902940        0.6772
BFGS:    5 14:09:43      -67.000224        0.6197
BFGS:    6 14:09:43      -67.088806        0.5614
BFGS:    7 14:09:43      -67.168705        0.5041
BFGS:    8 14:09:43      -67.240087        0.4477
BFGS:    9 14:09:43      -67.303061        0.3920
BFGS:   10 14:09:43      -67.357710        0.3363
BFGS:   11 14:09:43      -67.403552        0.2733
BFGS:   12 14:09:43      -67.438914        0.1950
BFGS:   13 14:09:43      -67.461251        0.1005
BFGS:   14 14:09:44      -67.468391        0.0076
BFGS:   15 14:09:44      -67.468429        0.0005
BFGS:   16 14:09:44      -67.468429        0.0000
BFGS:   17 14:09:44      -67.468429        0.0000
Minimization converged after 17 steps.
Maximum force component: 2.7620175778650144e-31 eV/Angstrom
Maximum stress component: 5.981351884361943e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', '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]
 [9.61845393e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 3.38419262e-35 5.00000000e-01]]
cellpar =  Cell([[5.690958409827972, 8.355395906255714e-33, -8.068548986588306e-32], [3.8303079918546225e-32, 5.690958409827972, 2.3620038288937765e-18], [1.6469770303502496e-32, 2.3620038288936447e-18, 5.690958409827972]])
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]
 [-3.50732391e-32 -2.68894833e-31 -1.58194922e-31]
 [-6.43009383e-32  2.33821594e-31  5.69940135e-32]
 [-2.33821594e-32 -2.74740373e-31  4.09187789e-32]
 [-4.38415489e-32  2.07516665e-31 -1.16910797e-32]
 [ 8.47603278e-32 -1.43215726e-31 -1.40292956e-31]
 [-3.36118541e-32  2.76201758e-31  1.11065257e-31]
 [-7.89147879e-32  2.35282979e-31 -4.23801639e-32]
 [ 4.53029338e-32 -1.31524647e-31 -1.41754341e-31]
 [ 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 =  [-5.98135188e-11 -5.98135188e-11 -5.98135188e-11  4.54577360e-27
 -1.17013383e-58  2.61298691e-59]
energy per atom =  -4.216776802938999
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0