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 15:45:19      -33.600039        1.6352
BFGS:    1 15:45:19      -33.640310        1.5987
BFGS:    2 15:45:19      -33.722266        1.5097
BFGS:    3 15:45:19      -33.798097        1.4074
BFGS:    4 15:45:19      -33.867318        1.2939
BFGS:    5 15:45:19      -33.929593        1.1714
BFGS:    6 15:45:19      -33.984752        1.0423
BFGS:    7 15:45:19      -34.032787        0.9087
BFGS:    8 15:45:19      -34.073854        0.7728
BFGS:    9 15:45:19      -34.108266        0.6362
BFGS:   10 15:45:20      -34.136501        0.5007
BFGS:   11 15:45:20      -34.159206        0.3678
BFGS:   12 15:45:20      -34.177239        0.4079
BFGS:   13 15:45:20      -34.191727        0.4460
BFGS:   14 15:45:20      -34.204130        0.4722
BFGS:   15 15:45:20      -34.216202        0.4830
BFGS:   16 15:45:20      -34.229682        0.4740
BFGS:   17 15:45:20      -34.245916        0.4410
BFGS:   18 15:45:20      -34.265658        0.3775
BFGS:   19 15:45:20      -34.286538        0.2811
BFGS:   20 15:45:20      -34.302512        0.1996
BFGS:   21 15:45:20      -34.311370        0.0827
BFGS:   22 15:45:20      -34.312303        0.0347
BFGS:   23 15:45:20      -34.312629        0.0054
BFGS:   24 15:45:20      -34.312670        0.0020
BFGS:   25 15:45:20      -34.312672        0.0003
BFGS:   26 15:45:20      -34.312672        0.0000
BFGS:   27 15:45:20      -34.312672        0.0000
BFGS:   28 15:45:20      -34.312672        0.0000
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