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_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005
==== 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 11:45:27      -34.622536         1.169052
BFGS:    1 11:45:27      -34.668409         1.126532
BFGS:    2 11:45:27      -34.794065         0.991534
BFGS:    3 11:45:27      -34.900757         0.835130
BFGS:    4 11:45:27      -34.985207         0.653983
BFGS:    5 11:45:27      -35.044312         0.445768
BFGS:    6 11:45:27      -35.074680         0.207573
BFGS:    7 11:45:27      -35.079296         0.325981
BFGS:    8 11:45:27      -35.081192         0.330424
BFGS:    9 11:45:27      -35.098321         0.311054
BFGS:   10 11:45:27      -35.111454         0.265836
BFGS:   11 11:45:27      -35.121442         0.206345
BFGS:   12 11:45:27      -35.128485         0.138285
BFGS:   13 11:45:27      -35.132527         0.063035
BFGS:   14 11:45:27      -35.133472         0.010763
BFGS:   15 11:45:27      -35.133491         0.002482
BFGS:   16 11:45:27      -35.133492         0.000067
BFGS:   17 11:45:27      -35.133492         0.000007
BFGS:   18 11:45:27      -35.133492         0.000000
BFGS:   19 11:45:27      -35.133492         0.000000
Minimization converged after 19 steps.
Maximum force component: 8.60330843651611e-31 eV/Angstrom
Maximum stress component: 1.85221567564256e-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]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 2.50000000e-01]
 [4.02956146e-34 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[3.441333347010287, 1.4798333698655448e-36, 5.252584584612283e-32], [3.287693134927021e-37, 3.4413333470102865, -1.524713662312103e-17], [-4.441401664744067e-33, -2.7451560803347646e-17, 7.0906240266553615]])
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]
 [ 1.06044271e-32  2.12088542e-32 -9.39677344e-50]
 [-4.05239466e-69 -4.24177084e-32  1.87935469e-49]
 [ 5.38890180e-64 -1.06044271e-32 -8.60330844e-31]
 [-1.06044271e-32  3.18132813e-32 -8.57599635e-31]]
stress =  [ 1.85221568e-10  1.85221568e-10  7.23509278e-11  2.10553148e-26
 -6.31421364e-35 -3.63217884e-50]
energy per atom =  -4.3643473643129855
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0