element(s):
['Fe', 'Ni']
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:
['5.6652']
model name:
EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.6652, 0, 0], [0, 5.6652, 0], [0, 0, 5.6652]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:39:00      -65.887348         2.863802
BFGS:    1 16:39:00      -66.228573         2.686416
BFGS:    2 16:39:00      -66.611339         2.410479
BFGS:    3 16:39:01      -66.951274         2.125948
BFGS:    4 16:39:01      -67.251932         1.895969
BFGS:    5 16:39:01      -67.523852         1.740532
BFGS:    6 16:39:01      -67.776742         1.638017
BFGS:    7 16:39:01      -68.016563         1.561486
BFGS:    8 16:39:01      -68.244986         1.481181
BFGS:    9 16:39:01      -68.459717         1.377448
BFGS:   10 16:39:01      -68.656777         1.244861
BFGS:   11 16:39:01      -68.831513         1.078971
BFGS:   12 16:39:01      -68.978501         0.873647
BFGS:   13 16:39:01      -69.091205         0.620168
BFGS:   14 16:39:01      -69.161561         0.306779
BFGS:   15 16:39:01      -69.179730         0.072706
BFGS:   16 16:39:01      -69.180655         0.006368
BFGS:   17 16:39:01      -69.180663         0.000119
BFGS:   18 16:39:01      -69.180663         0.000000
BFGS:   19 16:39:01      -69.180663         0.000000
Minimization converged after 19 steps.
Maximum force component: 3.437388672005795e-30 eV/Angstrom
Maximum stress component: 5.960145686181726e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.06246351e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.69982720e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.02207034e-67 6.32807939e-50]
 [1.01249270e-48 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([[5.406283038131732, -2.9939049285559664e-32, 3.088763309325144e-33], [-4.3006966903550363e-32, 5.406283038131732, -1.7275201388139444e-17], [2.1253661956490128e-32, -1.727520138813948e-17, 5.406283038131732]])
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]
 [-3.99825500e-31  6.21950777e-31  2.55444069e-31]
 [ 1.11617952e-30  6.55269569e-31  2.54333443e-30]
 [-5.77525722e-31  1.13283892e-30 -3.02090378e-30]
 [ 9.32926166e-31  5.33100666e-31 -2.42116553e-30]
 [-1.24390155e-30  5.55313194e-31 -2.84320355e-30]
 [ 5.55313194e-32  1.33275167e-31 -1.99912750e-31]
 [-1.99912750e-31 -4.33144291e-31  2.77656597e-30]
 [-1.62706766e-30  3.99825500e-31  3.43738867e-30]]
stress =  [ 5.96014569e-13  5.96014569e-13  5.96014569e-13  9.08778040e-29
 -5.71077463e-35 -8.42774814e-51]
energy per atom =  -4.323791426470762
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0