element(s):
['Fe', 'Ni']
AFLOW prototype label:
A3B_tI8_139_ad_b
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5246', '2.3552176']
model name:
EAM_Dynamo_BonnyPasianotMalerba_2009_FeNi__MO_267721408934_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Fe', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.5  0.25]
 [0.   0.   0.5 ]]
spacegroup =  139
cell =  [[3.5246, 0, 0], [0, 3.5246, 0], [0, 0, 8.3012]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:29:53      -32.020253         1.822147
BFGS:    1 15:29:53      -32.100345         1.764137
BFGS:    2 15:29:53      -32.246306         1.645949
BFGS:    3 15:29:53      -32.381187         1.529956
BFGS:    4 15:29:53      -32.504739         1.416563
BFGS:    5 15:29:53      -32.616349         1.300321
BFGS:    6 15:29:53      -32.715512         1.181641
BFGS:    7 15:29:53      -32.801926         1.064064
BFGS:    8 15:29:53      -32.875703         0.952871
BFGS:    9 15:29:53      -32.937257         0.848668
BFGS:   10 15:29:53      -32.987181         0.746719
BFGS:   11 15:29:53      -33.025582         0.634014
BFGS:   12 15:29:53      -33.052616         0.511760
BFGS:   13 15:29:53      -33.069329         0.383058
BFGS:   14 15:29:53      -33.078507         0.322531
BFGS:   15 15:29:53      -33.084950         0.360051
BFGS:   16 15:29:53      -33.097386         0.369344
BFGS:   17 15:29:53      -33.112465         0.332716
BFGS:   18 15:29:53      -33.128978         0.243445
BFGS:   19 15:29:53      -33.142326         0.083801
BFGS:   20 15:29:53      -33.143952         0.027773
BFGS:   21 15:29:53      -33.144120         0.008483
BFGS:   22 15:29:53      -33.144139         0.001068
BFGS:   23 15:29:53      -33.144140         0.000229
BFGS:   24 15:29:53      -33.144140         0.000014
BFGS:   25 15:29:53      -33.144140         0.000000
BFGS:   26 15:29:53      -33.144140         0.000000
Minimization converged after 26 steps.
Maximum force component: 1.7252393474529526e-30 eV/Angstrom
Maximum stress component: 2.890593853796172e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.25326702e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.429293009100004, 1.5352561839908228e-36, 8.076218431232808e-32], [9.313713147282303e-37, 3.4292930091000047, 7.248814394397757e-17], [2.0323023098971538e-32, 1.7588414928738909e-16, 7.36673918092158]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 5.28366248e-33 -1.56858730e-32 -1.45283313e-30]
 [-2.64183124e-33  3.63251795e-33 -7.26416567e-31]
 [ 4.75951499e-63  1.32091562e-32  1.72523935e-30]
 [ 3.06863307e-63  2.64183124e-33  1.11232537e-30]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-2.62288686e-10 -2.62288686e-10  2.89059385e-10  2.25354868e-25
  2.43955483e-34  2.01631652e-49]
energy per atom =  -4.133904455929227
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0