element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB3_tI8_139_a_bd
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6204', '1.9276323']
model name:
EAM_Dynamo_BelandTammMu_2017_FeNiCr__MO_715003088863_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.   0.5 ]
 [0.   0.5  0.25]]
spacegroup =  139
cell =  [[3.6204, 0, 0], [0, 3.6204, 0], [0, 0, 6.9788]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:54:08      -35.681783         0.918290
BFGS:    1 16:54:08      -35.714306         0.854765
BFGS:    2 16:54:08      -35.816485         0.606834
BFGS:    3 16:54:08      -35.883193         0.351551
BFGS:    4 16:54:08      -35.913388         0.088752
BFGS:    5 16:54:08      -35.915151         0.017304
BFGS:    6 16:54:08      -35.915157         0.014984
BFGS:    7 16:54:08      -35.915172         0.010564
BFGS:    8 16:54:08      -35.915202         0.012395
BFGS:    9 16:54:08      -35.915245         0.011938
BFGS:   10 16:54:08      -35.915278         0.006610
BFGS:   11 16:54:09      -35.915287         0.002109
BFGS:   12 16:54:09      -35.915288         0.000314
BFGS:   13 16:54:09      -35.915288         0.000015
BFGS:   14 16:54:09      -35.915288         0.000001
BFGS:   15 16:54:09      -35.915288         0.000000
BFGS:   16 16:54:09      -35.915288         0.000000
Minimization converged after 16 steps.
Maximum force component: 3.378133064422365e-31 eV/Angstrom
Maximum stress component: 2.5361614062774147e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 8.71211585e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.12435686e-34]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 4.35605792e-34 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 3.48484634e-33 7.50000000e-01]]
cellpar =  Cell([[3.5370143881495197, 2.7169306644236468e-36, -6.456788841843144e-32], [-3.6696279699415915e-37, 3.53701438814952, -1.336572228262524e-17], [-2.8068193524156804e-33, -2.5712591303725947e-17, 6.851667850825343]])
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]
 [-1.38385748e-64 -1.08992671e-32  3.37813306e-31]
 [ 2.17985342e-32 -9.50796471e-49  2.53359980e-31]
 [-7.56814549e-65  1.08992671e-32  1.84741652e-31]
 [ 2.17985342e-32 -1.22811211e-48  3.27256641e-31]]
stress =  [-6.11902627e-12 -6.11902627e-12 -2.53616141e-11 -1.39235569e-26
  1.27153214e-34  6.96967313e-50]
energy per atom =  -4.4894109961812045
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0