element(s):
['Fe', 'Ni']
AFLOW prototype label:
A3B_cF16_225_ac_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8545']
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.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[5.8545, 0, 0], [0, 5.8545, 0], [0, 0, 5.8545]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:07:56      -64.677061        1.3077
BFGS:    1 16:07:57      -64.749616        1.2813
BFGS:    2 16:07:57      -64.936431        1.2091
BFGS:    3 16:07:57      -65.112243        1.1346
BFGS:    4 16:07:57      -65.276704        1.0578
BFGS:    5 16:07:57      -65.429470        0.9787
BFGS:    6 16:07:58      -65.570116        0.8955
BFGS:    7 16:07:58      -65.697777        0.8056
BFGS:    8 16:07:58      -65.811457        0.7091
BFGS:    9 16:07:58      -65.910163        0.6059
BFGS:   10 16:07:58      -65.992904        0.4962
BFGS:   11 16:07:58      -66.058697        0.3800
BFGS:   12 16:07:58      -66.106591        0.2576
BFGS:   13 16:07:58      -66.135696        0.1295
BFGS:   14 16:07:59      -66.145139        0.0045
BFGS:   15 16:07:59      -66.145150        0.0001
BFGS:   16 16:07:59      -66.145150        0.0000
BFGS:   17 16:07:59      -66.145150        0.0000
Minimization converged after 17 steps.
Maximum force component: 7.431162161428163e-30 eV/Angstrom
Maximum stress component: 1.7449126196339178e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.46347653e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.46347653e-48 0.00000000e+00]
 [1.46347653e-48 5.00000000e-01 0.00000000e+00]
 [3.04890943e-50 3.43276685e-35 5.00000000e-01]]
cellpar =  Cell([[5.610430391534461, -3.030444023801606e-32, 2.9041218754389696e-33], [-3.011187983127506e-32, 5.610430391534461, 2.313986486747703e-18], [-1.0087086308248826e-33, 2.3139864867477025e-18, 5.610430391534461]])
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]
 [-2.76615575e-31  3.64210507e-30 -7.43116216e-30]
 [-2.88141224e-31 -2.98442273e-30 -3.45769469e-31]
 [ 2.07461681e-31  3.82651545e-30  1.75189864e-30]
 [ 1.53748343e-62 -2.87853083e-30  4.14923362e-31]
 [-1.75189864e-30  3.22718171e-31 -2.90446354e-30]
 [ 1.04307123e-30 -2.31485456e-30  6.68487639e-30]
 [ 5.99333745e-31 -4.02137095e-30 -3.61905377e-30]
 [-1.30239833e-30  2.67395056e-30 -1.94207185e-30]
 [ 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]]
stress =  [-1.74491262e-14 -1.74491262e-14 -1.74491262e-14 -3.06535359e-31
 -1.46845070e-34 -2.91360358e-51]
energy per atom =  -4.124958847767532
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0