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_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== 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 15:52:11      -68.700672         0.791515
BFGS:    1 15:52:12      -68.727144         0.769198
BFGS:    2 15:52:12      -68.835046         0.669121
BFGS:    3 15:52:13      -68.927769         0.566835
BFGS:    4 15:52:13      -69.004990         0.462428
BFGS:    5 15:52:13      -69.066397         0.356002
BFGS:    6 15:52:14      -69.111695         0.247662
BFGS:    7 15:52:14      -69.140606         0.137525
BFGS:    8 15:52:15      -69.152868         0.025705
BFGS:    9 15:52:15      -69.153308         0.000225
BFGS:   10 15:52:15      -69.153308         0.000000
BFGS:   11 15:52:16      -69.153308         0.000000
Minimization converged after 11 steps.
Maximum force component: 5.462304280086567e-31 eV/Angstrom
Maximum stress component: 4.014511495294091e-13 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]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.69449105e-34]
 [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 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.69449105e-34]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.718126079406215, -1.4041086917478404e-32, -1.5974344875328018e-32], [-2.551237360079264e-32, 5.718126079406215, -1.5512194755936522e-17], [5.601610187140074e-33, -1.551219475593655e-17, 5.718126079406215]])
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]
 [-1.58583027e-31  5.46230428e-31 -3.76634690e-31]
 [ 2.20254205e-32 -4.47850217e-31 -3.49470005e-31]
 [-1.20405632e-31  4.64002192e-31  5.28610092e-31]
 [-5.87344546e-33 -3.82508136e-31  3.52406728e-31]
 [-1.58583027e-31  4.11141182e-32  3.34786391e-31]
 [-3.14229332e-31 -2.00431326e-31  3.52406728e-32]
 [-4.05267737e-31 -2.02633868e-31 -3.36254753e-31]
 [-3.27444585e-31  1.87950255e-31 -5.12458117e-31]
 [ 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 =  [ 4.01451150e-13  4.01451150e-13  4.01451150e-13 -4.59631376e-29
 -7.85365408e-36  8.52604357e-52]
energy per atom =  -4.322081739734957
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0