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_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_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 16:06:54      -66.090442        0.8965
BFGS:    1 16:06:54      -66.124657        0.8846
BFGS:    2 16:06:54      -66.253862        0.8380
BFGS:    3 16:06:54      -66.376028        0.7908
BFGS:    4 16:06:55      -66.491069        0.7430
BFGS:    5 16:06:55      -66.598897        0.6946
BFGS:    6 16:06:55      -66.699402        0.6451
BFGS:    7 16:06:55      -66.792307        0.5933
BFGS:    8 16:06:55      -66.877262        0.5391
BFGS:    9 16:06:55      -66.953908        0.4825
BFGS:   10 16:06:55      -67.021876        0.4233
BFGS:   11 16:06:55      -67.080777        0.3616
BFGS:   12 16:06:55      -67.130200        0.2968
BFGS:   13 16:06:55      -67.169642        0.2288
BFGS:   14 16:06:55      -67.198849        0.1610
BFGS:   15 16:06:55      -67.218182        0.0978
BFGS:   16 16:06:55      -67.228547        0.0420
BFGS:   17 16:06:55      -67.231267        0.0076
BFGS:   18 16:06:55      -67.231376        0.0011
BFGS:   19 16:06:56      -67.231378        0.0000
BFGS:   20 16:06:56      -67.231378        0.0000
BFGS:   21 16:06:56      -67.231378        0.0000
Minimization converged after 21 steps.
Maximum force component: 6.451166481635159e-31 eV/Angstrom
Maximum stress component: 8.278306862663274e-12 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]
 [1.23106250e-49 5.00000000e-01 6.93026575e-35]
 [7.69414061e-51 1.03953986e-34 5.00000000e-01]]
cellpar =  Cell([[5.558026237247691, 1.0412523816683224e-32, 3.6757482559984766e-34], [9.62240960542046e-33, 5.558026237247691, -2.912885603972121e-18], [-2.914228591499068e-34, -2.9128856039721195e-18, 5.558026237247691]])
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]
 [-6.27989658e-32  2.16941882e-31 -2.28359875e-31]
 [ 9.13439502e-32 -6.45116648e-31 -1.71269907e-32]
 [-7.42169595e-32  4.68137745e-31  1.54142916e-31]
 [ 3.42539813e-32 -4.85264735e-31  1.14179938e-31]
 [-1.54142916e-31  3.65375801e-31  3.25412823e-31]
 [ 1.02761944e-31 -9.70529471e-32  1.99814891e-31]
 [ 3.99629782e-32 -1.71269907e-32  7.42169595e-32]
 [-1.76978903e-31  2.96867838e-31 -1.02761944e-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 =  [8.27830686e-12 8.27830686e-12 8.27830686e-12 1.72298366e-29
 9.97514651e-35 1.34920973e-52]
energy per atom =  -4.201961143921769
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0