element(s):
['Fe', 'Ni']
AFLOW prototype label:
A3B_tI8_139_ad_b
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:
['3.5246', '2.3552176']
model name:
EAM_Dynamo_ZhouFosterSills_2018_FeNiCr__MO_036303866285_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Fe', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.5  0.25]
 [0.   0.   0.5 ]]
spacegroup =  139
cell =  [[3.5246, 0, 0], [0, 3.5246, 0], [0, 0, 8.3012]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:33:08      -33.600039         1.635207
BFGS:    1 16:33:08      -33.640310         1.598654
BFGS:    2 16:33:08      -33.722266         1.509718
BFGS:    3 16:33:08      -33.798097         1.407432
BFGS:    4 16:33:08      -33.867318         1.293891
BFGS:    5 16:33:08      -33.929593         1.171389
BFGS:    6 16:33:08      -33.984752         1.042257
BFGS:    7 16:33:08      -34.032787         0.908705
BFGS:    8 16:33:09      -34.073854         0.772755
BFGS:    9 16:33:09      -34.108266         0.636215
BFGS:   10 16:33:09      -34.136501         0.500700
BFGS:   11 16:33:09      -34.159206         0.367757
BFGS:   12 16:33:09      -34.177239         0.407876
BFGS:   13 16:33:09      -34.191727         0.445989
BFGS:   14 16:33:09      -34.204130         0.472229
BFGS:   15 16:33:09      -34.216202         0.483008
BFGS:   16 16:33:09      -34.229682         0.474041
BFGS:   17 16:33:09      -34.245916         0.441027
BFGS:   18 16:33:10      -34.265658         0.377479
BFGS:   19 16:33:10      -34.286538         0.281133
BFGS:   20 16:33:10      -34.302512         0.199627
BFGS:   21 16:33:10      -34.311370         0.082661
BFGS:   22 16:33:10      -34.312303         0.034670
BFGS:   23 16:33:10      -34.312629         0.005409
BFGS:   24 16:33:10      -34.312670         0.001993
BFGS:   25 16:33:10      -34.312672         0.000293
BFGS:   26 16:33:10      -34.312672         0.000015
BFGS:   27 16:33:10      -34.312672         0.000000
BFGS:   28 16:33:11      -34.312672         0.000000
Minimization converged after 28 steps.
Maximum force component: 3.1984520190365085e-31 eV/Angstrom
Maximum stress component: 2.7520428512632785e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [3.44630028e-34 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.09671575e-34]]
cellpar =  Cell([[3.6230517215485056, 7.454237642202052e-37, 7.352107347814704e-32], [-3.851198783243241e-37, 3.6230517215485056, 1.588865130470621e-17], [-2.789921165924147e-33, 3.9437348776113326e-17, 7.348368305583026]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-6.87756800e-65 -1.11643901e-32  1.81151265e-31]
 [ 1.71942167e-65 -2.43051427e-49 -4.52878162e-32]
 [-1.21435342e-64  1.11643901e-32  3.19845202e-31]
 [ 2.15046383e-66 -1.11643901e-32 -5.66097702e-33]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-2.75204285e-10 -2.75204285e-10 -1.23454988e-10 -1.12593934e-25
 -5.78715379e-34 -4.55192817e-49]
energy per atom =  -4.28908394698738
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0