element(s):
['Cr', 'Fe']
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:
['6.0773']
model name:
EAM_Dynamo_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Fe', 'Fe']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[6.0773, 0, 0], [0, 6.0773, 0], [0, 0, 6.0773]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:16:39      -61.863077         1.524686
BFGS:    1 12:16:39      -61.961968         1.502044
BFGS:    2 12:16:39      -62.183291         1.448599
BFGS:    3 12:16:40      -62.396445         1.393130
BFGS:    4 12:16:40      -62.601137         1.335783
BFGS:    5 12:16:40      -62.797091         1.276647
BFGS:    6 12:16:40      -62.984045         1.215796
BFGS:    7 12:16:40      -63.161747         1.153296
BFGS:    8 12:16:40      -63.329955         1.089210
BFGS:    9 12:16:40      -63.488433         1.023589
BFGS:   10 12:16:40      -63.636957         0.956481
BFGS:   11 12:16:40      -63.775305         0.887919
BFGS:   12 12:16:40      -63.903261         0.817927
BFGS:   13 12:16:40      -64.020612         0.746514
BFGS:   14 12:16:40      -64.127144         0.673674
BFGS:   15 12:16:40      -64.222642         0.599385
BFGS:   16 12:16:40      -64.306885         0.523604
BFGS:   17 12:16:40      -64.379641         0.446081
BFGS:   18 12:16:40      -64.440541         0.365312
BFGS:   19 12:16:40      -64.489052         0.280879
BFGS:   20 12:16:40      -64.524614         0.192631
BFGS:   21 12:16:40      -64.546641         0.100380
BFGS:   22 12:16:40      -64.554516         0.003897
BFGS:   23 12:16:40      -64.554528         0.000093
BFGS:   24 12:16:40      -64.554528         0.000000
BFGS:   25 12:16:40      -64.554528         0.000000
Minimization converged after 25 steps.
Maximum force component: 1.1239262460278842e-30 eV/Angstrom
Maximum stress component: 1.4479602323888436e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [8.44806883e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.35881141e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.35881141e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.82746790e-49 4.82746790e-49]
 [0.00000000e+00 5.00000000e-01 2.71762283e-34]
 [4.82746790e-49 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([[5.669454711601773, -4.710144319790065e-32, -2.8191664173428305e-32], [-6.539916422672444e-33, 5.669454711601773, 7.150672494528777e-18], [1.4116120751982535e-32, 7.150672494528718e-18, 5.669454711601773]])
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]
 [ 2.27114630e-31  1.86350466e-31 -1.10936762e-30]
 [ 2.25658767e-32  1.90718055e-31  5.31390000e-32]
 [ 1.83438740e-31  1.97997370e-31  1.12392625e-30]
 [-7.57048767e-32  2.85349151e-31  5.12463781e-31]
 [-1.45586301e-31 -1.16469041e-31  6.40579726e-31]
 [-2.06368582e-31 -1.52865616e-31  1.03657447e-30]
 [-1.57233205e-31 -1.62328726e-31 -1.04785740e-30]
 [-1.48498027e-31 -2.91172603e-32 -3.85803698e-31]]
stress =  [ 1.44796023e-13  1.44796023e-13  1.44796023e-13 -1.62723307e-29
  1.91737863e-34 -2.81952272e-50]
energy per atom =  -4.03465797203153
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0