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 15:29:52      -33.600039         1.635207
BFGS:    1 15:29:52      -33.640310         1.598654
BFGS:    2 15:29:52      -33.722266         1.509718
BFGS:    3 15:29:52      -33.798097         1.407432
BFGS:    4 15:29:52      -33.867318         1.293891
BFGS:    5 15:29:52      -33.929593         1.171389
BFGS:    6 15:29:52      -33.984752         1.042257
BFGS:    7 15:29:52      -34.032787         0.908705
BFGS:    8 15:29:52      -34.073854         0.772755
BFGS:    9 15:29:52      -34.108266         0.636215
BFGS:   10 15:29:52      -34.136501         0.500700
BFGS:   11 15:29:52      -34.159206         0.367757
BFGS:   12 15:29:52      -34.177239         0.407876
BFGS:   13 15:29:52      -34.191727         0.445989
BFGS:   14 15:29:52      -34.204130         0.472229
BFGS:   15 15:29:52      -34.216202         0.483008
BFGS:   16 15:29:52      -34.229682         0.474041
BFGS:   17 15:29:52      -34.245916         0.441027
BFGS:   18 15:29:52      -34.265658         0.377479
BFGS:   19 15:29:52      -34.286538         0.281133
BFGS:   20 15:29:52      -34.302512         0.199627
BFGS:   21 15:29:52      -34.311370         0.082661
BFGS:   22 15:29:52      -34.312303         0.034670
BFGS:   23 15:29:52      -34.312629         0.005409
BFGS:   24 15:29:52      -34.312670         0.001993
BFGS:   25 15:29:52      -34.312672         0.000293
BFGS:   26 15:29:52      -34.312672         0.000015
BFGS:   27 15:29:52      -34.312672         0.000000
BFGS:   28 15:29:52      -34.312672         0.000000
Minimization converged after 28 steps.
Maximum force component: 8.20841668602289e-32 eV/Angstrom
Maximum stress component: 2.752052364167077e-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]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 2.50000000e-01]
 [3.12397644e-33 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 8.38686300e-34]]
cellpar =  Cell([[3.623051721548506, 2.0589552200966293e-37, 1.892757239610247e-32], [1.714071826659173e-36, 3.623051721548504, 6.295422225087563e-17], [7.21981255209724e-33, 1.5299687828681257e-16, 7.34836830558302]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-5.58219504e-33  1.11643901e-32  5.66097702e-32]
 [ 1.67465851e-32  1.11643901e-32  1.93992675e-49]
 [ 1.67465851e-32  4.46575603e-32 -4.52878162e-32]
 [-5.58219504e-33  2.23287802e-32 -8.20841669e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-2.75205236e-10 -2.75205236e-10 -1.23456272e-10 -4.01481227e-26
 -2.28586790e-43 -1.02215077e-58]
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