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_BonnyPasianotMalerba_2009_FeNi__MO_267721408934_005
==== 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 13:56:56      -68.079447        0.6287
BFGS:    1 13:56:56      -68.096157        0.6116
BFGS:    2 13:56:56      -68.180503        0.5117
BFGS:    3 13:56:56      -68.249280        0.4040
BFGS:    4 13:56:56      -68.301315        0.2885
BFGS:    5 13:56:56      -68.335441        0.1652
BFGS:    6 13:56:56      -68.350497        0.0342
BFGS:    7 13:56:56      -68.351144        0.0013
BFGS:    8 13:56:56      -68.351145        0.0000
BFGS:    9 13:56:56      -68.351145        0.0000
Minimization converged after 9 steps.
Maximum force component: 7.096043619989517e-30 eV/Angstrom
Maximum stress component: 3.946863642176868e-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]
 [9.82902380e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.38331212e-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 9.82902380e-49 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 1.38331212e-34]
 [6.14313987e-50 2.76662424e-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([[5.56903944922879, -3.942816677406081e-32, 1.1120380136007779e-32], [-4.977330673313779e-32, 5.56903944922879, -1.1255711437979305e-17], [3.458645871919028e-33, -1.1255711437979296e-17, 5.56903944922879]])
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]
 [ 5.03387214e-31  1.78473648e-30  3.57519328e-30]
 [-2.76433944e-30 -3.50082926e-30  7.09604362e-30]
 [ 1.33140198e-30  2.12795504e-30 -1.14406185e-30]
 [-2.08219257e-30 -3.79113495e-30  8.92368242e-31]
 [ 1.28134927e-30  2.37964865e-30 -5.39997193e-30]
 [-5.14827832e-31 -5.72030925e-31 -2.90591710e-30]
 [-1.14406185e-31 -1.06397752e-30 -5.06247368e-31]
 [ 1.56879481e-30  1.83049896e-30  5.63450461e-31]]
stress =  [ 3.94686364e-10  3.94686364e-10  3.94686364e-10 -5.35309280e-26
  1.32476430e-34 -9.99062367e-51]
energy per atom =  -4.244607397985412
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0