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_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_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 15:59:24      -69.102846         0.489057
BFGS:    1 15:59:24      -69.113007         0.480526
BFGS:    2 15:59:24      -69.180435         0.418082
BFGS:    3 15:59:24      -69.238320         0.353433
BFGS:    4 15:59:24      -69.286413         0.287741
BFGS:    5 15:59:24      -69.324656         0.222290
BFGS:    6 15:59:24      -69.353160         0.158103
BFGS:    7 15:59:25      -69.372228         0.096745
BFGS:    8 15:59:25      -69.382406         0.039773
BFGS:    9 15:59:25      -69.384599         0.002403
BFGS:   10 15:59:25      -69.384607         0.000062
BFGS:   11 15:59:25      -69.384607         0.000000
BFGS:   12 15:59:25      -69.384607         0.000000
Minimization converged after 12 steps.
Maximum force component: 2.6562345116979835e-30 eV/Angstrom
Maximum stress component: 4.701575283815093e-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]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.39418090e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.47656278e-49 6.19140694e-50]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 1.39418090e-34 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([[5.525624243037353, -2.2782925217984562e-32, -1.0948873016817845e-33], [-9.631121921783098e-33, 5.525624243037353, 7.854624224875303e-18], [-4.037902052337703e-34, 7.854624224875303e-18, 5.525624243037353]])
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]
 [-6.12977195e-31 -9.30817222e-31 -1.05568295e-30]
 [ 1.07838581e-31  3.32029314e-31 -2.65623451e-30]
 [-7.66221494e-32 -1.36217154e-30  6.81085772e-31]
 [ 4.99462900e-31  3.91624319e-31  1.31676583e-30]
 [-3.63245745e-31 -9.98925799e-31  2.40650306e-30]
 [ 3.74597175e-31  3.40542886e-31  5.90274336e-31]
 [ 3.85948604e-31  7.71897209e-31 -1.08122366e-30]
 [-9.93250085e-31 -8.96762933e-31 -3.46218601e-31]]
stress =  [ 4.70157528e-13  4.70157528e-13  4.70157528e-13  5.28448977e-30
 -9.14630735e-35 -1.40893603e-52]
energy per atom =  -4.336537936958115
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0