element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB3_tI8_139_a_bd
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:
['3.6204', '1.9276323']
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.   0.   0.5 ]
 [0.   0.5  0.25]]
spacegroup =  139
cell =  [[3.6204, 0, 0], [0, 3.6204, 0], [0, 0, 6.9788]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:16:05      -35.681783        0.9183
BFGS:    1 09:16:05      -35.714306        0.8548
BFGS:    2 09:16:05      -35.816485        0.6068
BFGS:    3 09:16:05      -35.883193        0.3516
BFGS:    4 09:16:05      -35.913388        0.0888
BFGS:    5 09:16:05      -35.915151        0.0173
BFGS:    6 09:16:05      -35.915157        0.0150
BFGS:    7 09:16:05      -35.915172        0.0106
BFGS:    8 09:16:05      -35.915202        0.0124
BFGS:    9 09:16:05      -35.915245        0.0119
BFGS:   10 09:16:05      -35.915278        0.0066
BFGS:   11 09:16:05      -35.915287        0.0021
BFGS:   12 09:16:05      -35.915288        0.0003
BFGS:   13 09:16:05      -35.915288        0.0000
BFGS:   14 09:16:05      -35.915288        0.0000
BFGS:   15 09:16:05      -35.915288        0.0000
BFGS:   16 09:16:05      -35.915288        0.0000
Minimization converged after 16 steps.
Maximum force component: 2.322466610176601e-31 eV/Angstrom
Maximum stress component: 2.5260725244573267e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [1.93447823e-49 4.35605771e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.24871360e-34]
 [1.64550842e-36 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 2.17802885e-33 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 6.09848079e-33 7.50000000e-01]]
cellpar =  Cell([[3.5370145648109834, 2.696191575263172e-36, 4.311715273333837e-32], [3.5671922575334104e-36, 3.5370145648109834, -1.6532876995589623e-17], [-2.9843949797549416e-33, -3.179713721334445e-17, 6.851668229586361]])
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]
 [ 2.19845196e-68  2.17985352e-32 -1.01891721e-49]
 [ 2.17985352e-32  1.08992676e-32 -5.09458606e-50]
 [ 2.72481691e-32 -5.44963381e-33 -6.33399985e-32]
 [ 5.44963381e-33  1.63489014e-32  2.32246661e-31]]
stress =  [-6.11526524e-12 -6.11526524e-12 -2.52607252e-11 -7.20778865e-27
  3.81459600e-34  1.24389126e-49]
energy per atom =  -4.4894109960085755
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0