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_BonnyPasianotMalerba_2009_FeNi__MO_267721408934_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 16:54:08      -34.622536         1.169052
BFGS:    1 16:54:08      -34.668409         1.126532
BFGS:    2 16:54:08      -34.794065         0.991534
BFGS:    3 16:54:08      -34.900757         0.835130
BFGS:    4 16:54:08      -34.985207         0.653983
BFGS:    5 16:54:08      -35.044312         0.445768
BFGS:    6 16:54:08      -35.074680         0.207573
BFGS:    7 16:54:08      -35.079296         0.325981
BFGS:    8 16:54:08      -35.081192         0.330424
BFGS:    9 16:54:08      -35.098321         0.311054
BFGS:   10 16:54:08      -35.111454         0.265836
BFGS:   11 16:54:08      -35.121442         0.206345
BFGS:   12 16:54:08      -35.128485         0.138285
BFGS:   13 16:54:08      -35.132527         0.063035
BFGS:   14 16:54:08      -35.133472         0.010763
BFGS:   15 16:54:08      -35.133491         0.002482
BFGS:   16 16:54:08      -35.133492         0.000067
BFGS:   17 16:54:08      -35.133492         0.000007
BFGS:   18 16:54:08      -35.133492         0.000000
BFGS:   19 16:54:08      -35.133492         0.000000
Minimization converged after 19 steps.
Maximum force component: 3.127234336447918e-31 eV/Angstrom
Maximum stress component: 1.8522041494042655e-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 4.47717149e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.34586279e-34]
 [2.68777783e-34 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 2.23858575e-34 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[3.441333347010286, 5.667504689854586e-37, 4.343504424215648e-32], [9.74034445051026e-37, 3.4413333470102865, -1.5637843938549934e-17], [-2.58632453169045e-32, -2.715242608843181e-17, 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]
 [-7.96972778e-64 -8.36698727e-49  2.18496722e-31]
 [-4.78183667e-64 -5.02019236e-49  1.31098033e-31]
 [ 1.14067029e-63  1.06044271e-32 -3.12723434e-31]
 [-1.29508076e-64 -1.35963543e-49  3.55057174e-32]]
stress =  [ 1.85220415e-10  1.85220415e-10  7.23496189e-11 -2.60507906e-26
 -2.52568546e-34  1.99674155e-49]
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