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 13:57:02      -65.887348        2.8638
BFGS:    1 13:57:02      -66.228573        2.6864
BFGS:    2 13:57:02      -66.611339        2.4105
BFGS:    3 13:57:02      -66.951274        2.1259
BFGS:    4 13:57:02      -67.251932        1.8960
BFGS:    5 13:57:02      -67.523852        1.7405
BFGS:    6 13:57:02      -67.776742        1.6380
BFGS:    7 13:57:02      -68.016563        1.5615
BFGS:    8 13:57:02      -68.244986        1.4812
BFGS:    9 13:57:02      -68.459717        1.3774
BFGS:   10 13:57:02      -68.656777        1.2449
BFGS:   11 13:57:02      -68.831513        1.0790
BFGS:   12 13:57:02      -68.978501        0.8736
BFGS:   13 13:57:02      -69.091205        0.6202
BFGS:   14 13:57:02      -69.161561        0.3068
BFGS:   15 13:57:02      -69.179730        0.0727
BFGS:   16 13:57:02      -69.180655        0.0064
BFGS:   17 13:57:02      -69.180663        0.0001
BFGS:   18 13:57:02      -69.180663        0.0000
BFGS:   19 13:57:02      -69.180663        0.0000
Minimization converged after 19 steps.
Maximum force component: 2.676609595972202e-30 eV/Angstrom
Maximum stress component: 5.971930786156832e-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]
 [1.51873905e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.12478400e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.06246351e-49 1.01249270e-48]
 [5.06246351e-49 5.00000000e-01 1.13996544e-33]
 [5.06246351e-49 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([[5.406283038131733, -4.9273107911438575e-32, 3.4395733185723686e-32], [-4.916333771262372e-32, 5.406283038131733, 1.0165166331646827e-17], [1.5870269214124263e-32, 1.0165166331646854e-17, 5.406283038131733]])
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]
 [-1.33275167e-31  9.77351222e-31 -1.01344658e-31]
 [ 2.09908387e-30 -1.08563729e-30  1.42715491e-30]
 [-9.77351222e-31  7.99651000e-31 -1.31053914e-30]
 [ 1.73257717e-30 -8.02427566e-31  1.55487694e-30]
 [-2.35452794e-30  8.21863527e-31 -1.33275167e-31]
 [ 1.11062639e-32 -6.55963711e-31  1.35496419e-30]
 [ 1.19947650e-30 -7.38566548e-31  2.16572146e-31]
 [-2.65995020e-30 -1.77700222e-31 -2.67660960e-30]]
stress =  [ 5.97193079e-13  5.97193079e-13  5.97193079e-13  4.62370892e-29
 -7.02864569e-35 -5.09936368e-51]
energy per atom =  -4.32379142647076
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0