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_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_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 16:54:11      -35.838310         0.776300
BFGS:    1 16:54:11      -35.860409         0.711788
BFGS:    2 16:54:11      -35.936707         0.398346
BFGS:    3 16:54:11      -35.970351         0.086206
BFGS:    4 16:54:11      -35.971388         0.043471
BFGS:    5 16:54:11      -35.971424         0.037784
BFGS:    6 16:54:11      -35.971607         0.029320
BFGS:    7 16:54:11      -35.971838         0.031903
BFGS:    8 16:54:11      -35.972072         0.021194
BFGS:    9 16:54:11      -35.972153         0.008870
BFGS:   10 16:54:11      -35.972164         0.001728
BFGS:   11 16:54:11      -35.972165         0.000081
BFGS:   12 16:54:11      -35.972165         0.000006
BFGS:   13 16:54:11      -35.972165         0.000000
BFGS:   14 16:54:11      -35.972165         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.482093705349505e-30 eV/Angstrom
Maximum stress component: 2.092975470275366e-10 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]
 [1.92047220e-49 5.40564867e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.39649539e-35]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 2.70282434e-35 2.50000000e-01]
 [1.76537761e-34 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[3.5628100562013816, -3.844933539775892e-37, 3.130926941364999e-33], [-4.207545911747379e-37, 3.562810056201381, 1.2759530262348401e-18], [6.919241658687495e-33, 2.4568759028316395e-18, 6.895582876649173]])
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]
 [ 1.09787561e-32  1.09787561e-32  1.01993545e-30]
 [-1.09787561e-32  1.64681342e-32  1.01993545e-30]
 [-5.48937806e-33  1.09787561e-32 -6.98549542e-31]
 [-5.48937806e-33 -1.09787561e-32 -1.48209371e-30]]
stress =  [-7.74254520e-11 -7.74254520e-11 -2.09297547e-10  8.90789490e-26
 -3.44928842e-34  1.53179177e-49]
energy per atom =  -4.496520567442845
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0