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_ZhouFosterSills_2018_FeNiCr__MO_036303866285_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 13:56:55      -67.816671        0.3724
BFGS:    1 13:56:55      -67.822577        0.3677
BFGS:    2 13:56:55      -67.874406        0.3234
BFGS:    3 13:56:55      -67.919609        0.2793
BFGS:    4 13:56:55      -67.958167        0.2348
BFGS:    5 13:56:55      -67.990005        0.1896
BFGS:    6 13:56:55      -68.015001        0.1435
BFGS:    7 13:56:55      -68.032996        0.0962
BFGS:    8 13:56:55      -68.043799        0.0476
BFGS:    9 13:56:55      -68.047206        0.0014
BFGS:   10 13:56:55      -68.047209        0.0000
BFGS:   11 13:56:55      -68.047209        0.0000
Minimization converged after 11 steps.
Maximum force component: 7.695623893594541e-31 eV/Angstrom
Maximum stress component: 6.622162582082984e-10 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]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.32643376e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.89054920e-50 1.17810984e-49]
 [0.00000000e+00 5.00000000e-01 6.63216879e-35]
 [0.00000000e+00 0.00000000e+00 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([[5.807843570810537, -6.0371403913622525e-33, -5.113240252120674e-33], [5.711134690956241e-33, 5.807843570810537, 5.07080112914505e-18], [-7.794167282674139e-33, 5.070801129145027e-18, 5.807843570810537]])
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]
 [ 2.50555197e-31  6.44284791e-31  2.38623997e-31]
 [ 1.99101897e-31 -3.01262796e-31 -4.26540394e-31]
 [ 4.17591994e-32  6.26387991e-31  1.78967998e-31]
 [ 9.54495987e-32 -4.59351194e-31  3.93729595e-31]
 [-8.35183988e-32  6.94992390e-31  4.95144793e-31]
 [-1.84187897e-31 -3.16176796e-31 -2.14761597e-31]
 [-3.04245596e-31 -1.43174398e-31 -3.02754196e-31]
 [ 2.18490097e-31  7.69562389e-31  4.86196393e-31]]
stress =  [-6.62216258e-10 -6.62216258e-10 -6.62216258e-10 -3.10960437e-25
 -2.28386619e-34 -7.98146832e-50]
energy per atom =  -4.252950584184999
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0