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 15:53:05      -34.622536         1.169052
BFGS:    1 15:53:05      -34.668409         1.126532
BFGS:    2 15:53:05      -34.794065         0.991534
BFGS:    3 15:53:05      -34.900757         0.835130
BFGS:    4 15:53:05      -34.985207         0.653983
BFGS:    5 15:53:05      -35.044312         0.445768
BFGS:    6 15:53:05      -35.074680         0.207573
BFGS:    7 15:53:05      -35.079296         0.325981
BFGS:    8 15:53:06      -35.081192         0.330424
BFGS:    9 15:53:06      -35.098321         0.311054
BFGS:   10 15:53:06      -35.111454         0.265836
BFGS:   11 15:53:06      -35.121442         0.206345
BFGS:   12 15:53:06      -35.128485         0.138285
BFGS:   13 15:53:06      -35.132527         0.063035
BFGS:   14 15:53:06      -35.133472         0.010763
BFGS:   15 15:53:06      -35.133491         0.002482
BFGS:   16 15:53:06      -35.133492         0.000067
BFGS:   17 15:53:06      -35.133492         0.000007
BFGS:   18 15:53:06      -35.133492         0.000000
BFGS:   19 15:53:06      -35.133492         0.000000
Minimization converged after 19 steps.
Maximum force component: 2.9715554218823884e-30 eV/Angstrom
Maximum stress component: 1.852203940014124e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [5.0000000e-01 5.0000000e-01 5.0000000e-01]
 [0.0000000e+00 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]
 [2.3005835e-33 5.0000000e-01 2.5000000e-01]
 [5.0000000e-01 0.0000000e+00 2.5000000e-01]
 [0.0000000e+00 5.0000000e-01 7.5000000e-01]
 [5.0000000e-01 0.0000000e+00 7.5000000e-01]]
cellpar =  Cell([[3.441333347010287, 3.5570551960472188e-37, 3.0225776405392204e-32], [-2.8458744139733135e-37, 3.441333347010285, -7.921384464735197e-17], [2.4483605987418522e-32, -1.5379690153152752e-16, 7.090624026655358]])
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]
 [-1.02606508e-62  4.24177084e-32 -2.97155542e-30]
 [ 3.50781104e-69 -4.24177084e-32  9.76386019e-49]
 [ 1.95216710e-63 -4.24177084e-32  5.65360269e-31]
 [-7.71435045e-63  4.24177084e-32 -2.23412898e-30]]
stress =  [ 1.85220394e-10  1.85220394e-10  7.23499521e-11  1.35140277e-26
 -2.52568545e-34 -8.41222242e-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