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_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005
==== 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 18:16:21      -32.020253        1.8221
BFGS:    1 18:16:21      -32.100345        1.7641
BFGS:    2 18:16:21      -32.246306        1.6459
BFGS:    3 18:16:21      -32.381187        1.5300
BFGS:    4 18:16:21      -32.504739        1.4166
BFGS:    5 18:16:21      -32.616349        1.3003
BFGS:    6 18:16:21      -32.715512        1.1816
BFGS:    7 18:16:21      -32.801926        1.0641
BFGS:    8 18:16:21      -32.875703        0.9529
BFGS:    9 18:16:21      -32.937257        0.8487
BFGS:   10 18:16:21      -32.987181        0.7467
BFGS:   11 18:16:21      -33.025582        0.6340
BFGS:   12 18:16:21      -33.052616        0.5118
BFGS:   13 18:16:21      -33.069329        0.3831
BFGS:   14 18:16:21      -33.078507        0.3225
BFGS:   15 18:16:21      -33.084950        0.3601
BFGS:   16 18:16:21      -33.097386        0.3693
BFGS:   17 18:16:21      -33.112465        0.3327
BFGS:   18 18:16:21      -33.128978        0.2434
BFGS:   19 18:16:21      -33.142326        0.0838
BFGS:   20 18:16:21      -33.143952        0.0278
BFGS:   21 18:16:21      -33.144120        0.0085
BFGS:   22 18:16:21      -33.144139        0.0011
BFGS:   23 18:16:21      -33.144140        0.0002
BFGS:   24 18:16:21      -33.144140        0.0000
BFGS:   25 18:16:21      -33.144140        0.0000
BFGS:   26 18:16:21      -33.144140        0.0000
Minimization converged after 26 steps.
Maximum force component: 1.3620310637786486e-30 eV/Angstrom
Maximum stress component: 2.8906195867390465e-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]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]
 [1.09738442e-48 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.4292930091000065, 2.3169528383675413e-36, -3.776361858632081e-32], [3.444809133169975e-36, 3.4292930091000065, 3.509175257920888e-17], [-4.079471663847777e-33, 8.371759224809968e-17, 7.36673918092159]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-3.01693588e-64  6.60457809e-33  5.44812426e-31]
 [ 2.51400764e-64 -1.60161019e-32 -4.54010355e-31]
 [-7.54256860e-64 -6.27434919e-33  1.36203106e-30]
 [ 7.39535189e-64  1.60161019e-32 -1.33542889e-30]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-2.62285722e-10 -2.62285722e-10  2.89061959e-10 -6.41846483e-26
 -8.83933568e-43  1.96264395e-58]
energy per atom =  -4.133904455929219
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0