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_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_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 16:54:09      -35.681783         0.918289
BFGS:    1 16:54:09      -35.714306         0.854767
BFGS:    2 16:54:09      -35.816485         0.606831
BFGS:    3 16:54:09      -35.883193         0.351550
BFGS:    4 16:54:09      -35.913388         0.088751
BFGS:    5 16:54:09      -35.915151         0.017302
BFGS:    6 16:54:09      -35.915157         0.014986
BFGS:    7 16:54:09      -35.915172         0.010558
BFGS:    8 16:54:09      -35.915202         0.012396
BFGS:    9 16:54:09      -35.915245         0.011933
BFGS:   10 16:54:09      -35.915278         0.006600
BFGS:   11 16:54:09      -35.915287         0.002106
BFGS:   12 16:54:09      -35.915288         0.000312
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: 7.389666486925547e-32 eV/Angstrom
Maximum stress component: 2.5261239442965968e-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]
 [1.93447823e-49 1.74242308e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 8.71211541e-34 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 2.61363462e-33 7.50000000e-01]]
cellpar =  Cell([[3.5370145648109825, -2.0980470310536056e-37, -6.493469610664252e-32], [1.0411591489186496e-36, 3.537014564810983, 1.884439467079943e-17], [-6.73606301257354e-33, 3.623341087649996e-17, 6.85166822958636]])
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]
 [ 7.26498386e-65 -3.90784862e-49 -7.38966649e-32]
 [-2.17985352e-32 -3.34958453e-49 -6.33399985e-32]
 [-4.35970705e-32 -3.45425904e-49 -6.53193734e-32]
 [-6.22712902e-65  3.34958453e-49  6.33399985e-32]]
stress =  [-6.11611451e-12 -6.11611451e-12 -2.52612394e-11  2.47606681e-27
 -3.17882999e-35  3.52921025e-51]
energy per atom =  -4.489410996008575
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0