element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.6652']
model name:
EAM_Dynamo_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.6652, 0, 0], [0, 5.6652, 0], [0, 0, 5.6652]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:18:44      -69.102846         0.489057
BFGS:    1 12:18:44      -69.113007         0.480526
BFGS:    2 12:18:44      -69.180435         0.418082
BFGS:    3 12:18:44      -69.238320         0.353433
BFGS:    4 12:18:44      -69.286413         0.287741
BFGS:    5 12:18:44      -69.324656         0.222290
BFGS:    6 12:18:44      -69.353160         0.158103
BFGS:    7 12:18:44      -69.372228         0.096745
BFGS:    8 12:18:44      -69.382406         0.039773
BFGS:    9 12:18:44      -69.384599         0.002403
BFGS:   10 12:18:44      -69.384607         0.000062
BFGS:   11 12:18:44      -69.384607         0.000000
BFGS:   12 12:18:44      -69.384607         0.000000
Minimization converged after 12 steps.
Maximum force component: 8.62708644824986e-31 eV/Angstrom
Maximum stress component: 4.702998889214906e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.47656278e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.78836180e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.78836180e-34]
 [9.90625110e-49 2.78836180e-34 5.00000000e-01]
 [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]]
cellpar =  Cell([[5.525624243037353, 8.34352999543253e-33, 3.9330797253459107e-32], [2.284485270642041e-32, 5.525624243037353, -1.6369680985536172e-17], [-3.491305384951281e-32, -1.6369680985536138e-17, 5.525624243037353]])
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]
 [ 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]
 [ 1.36217154e-31  4.48381467e-31 -8.22978641e-32]
 [-1.56082156e-31 -8.62708645e-31 -6.35680054e-31]
 [ 4.51928788e-31  2.27028591e-31  3.29191457e-31]
 [ 2.83785738e-31 -3.85948604e-31  1.13514295e-31]
 [ 1.13514295e-31  4.65408611e-31  5.10814329e-31]
 [-2.12839304e-32 -5.73247192e-31  3.63245745e-31]
 [-2.78515333e-63 -6.24328625e-31  3.22806277e-32]
 [ 9.57776867e-32  3.97300034e-31 -4.76760041e-31]]
stress =  [ 4.70299889e-13  4.70299889e-13  4.70299889e-13 -1.33681899e-29
 -6.72831805e-35  1.05515093e-51]
energy per atom =  -4.3365379369581145
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0