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_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_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 10:24:39      -69.260672         0.838811
BFGS:    1 10:24:40      -69.290439         0.817224
BFGS:    2 10:24:40      -69.406023         0.722684
BFGS:    3 10:24:40      -69.506884         0.620935
BFGS:    4 10:24:40      -69.591943         0.512047
BFGS:    5 10:24:40      -69.660325         0.399390
BFGS:    6 10:24:40      -69.711574         0.282600
BFGS:    7 10:24:41      -69.744677         0.157332
BFGS:    8 10:24:41      -69.758343         0.023453
BFGS:    9 10:24:41      -69.758640         0.000888
BFGS:   10 10:24:41      -69.758641         0.000005
BFGS:   11 10:24:42      -69.758641         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.856279257869769e-30 eV/Angstrom
Maximum stress component: 7.646747558509742e-11 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]
 [2.39284008e-49 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 8.97315028e-50 0.00000000e+00]
 [1.19642004e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.718959429905397, 2.2040692870543853e-33, -7.467963452470239e-34], [1.138841895842769e-32, 5.718959429905397, -5.675347057238185e-18], [1.5190346151273315e-35, -5.6753470572381876e-18, 5.718959429905397]])
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]
 [ 3.87703896e-31 -9.39888232e-32 -1.63011865e-30]
 [-3.63472402e-31 -3.05463675e-31  1.23360330e-30]
 [ 6.35893132e-31  5.87430145e-32 -1.24535191e-30]
 [-1.99726249e-31 -7.34287681e-32  1.85627926e-30]
 [-1.17486029e-31 -1.17486029e-31 -9.51636835e-31]
 [-3.34835183e-31  4.72881267e-31  1.21010610e-30]
 [-3.99452499e-31  3.70080991e-31  8.66459464e-32]
 [ 7.34287681e-34 -2.58469264e-31 -1.36944653e-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 =  [ 7.64674756e-11  7.64674756e-11  7.64674756e-11 -5.45217793e-28
  5.02487387e-34  5.07783801e-52]
energy per atom =  -4.359915046127004
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0