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_ZhouFosterSills_2018_FeNiCr__MO_036303866285_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 15:53:04      -34.876038         0.211299
BFGS:    1 15:53:04      -34.877672         0.205165
BFGS:    2 15:53:04      -34.900646         0.214325
BFGS:    3 15:53:04      -34.915373         0.259195
BFGS:    4 15:53:04      -34.922013         0.293047
BFGS:    5 15:53:04      -34.923965         0.285325
BFGS:    6 15:53:04      -34.930855         0.230112
BFGS:    7 15:53:04      -34.937221         0.149064
BFGS:    8 15:53:04      -34.941799         0.051464
BFGS:    9 15:53:04      -34.942447         0.011381
BFGS:   10 15:53:04      -34.942500         0.001890
BFGS:   11 15:53:04      -34.942503         0.000404
BFGS:   12 15:53:04      -34.942503         0.000027
BFGS:   13 15:53:04      -34.942503         0.000001
BFGS:   14 15:53:04      -34.942503         0.000000
Minimization converged after 14 steps.
Maximum force component: 9.058190231139283e-31 eV/Angstrom
Maximum stress component: 6.531914142333051e-10 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]
 [7.73754336e-49 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.12769159e-34]
 [2.38464489e-34 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[3.5371834919672516, 3.775639210252913e-37, 1.319676981863144e-32], [1.1768995322921918e-37, 3.5371834919672507, 1.5448381980369968e-17], [-2.4323829151701225e-32, 3.171043023753203e-17, 7.241387633742165]])
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]
 [-2.55463785e-33 -3.90861230e-49 -8.92569938e-32]
 [ 4.08742056e-33 -2.73602861e-48 -6.24798957e-31]
 [-2.72494704e-33  1.68558905e-48  3.84920786e-31]
 [-4.08742056e-33  3.96663076e-48  9.05819023e-31]]
stress =  [ 5.84476659e-10  5.84476659e-10 -6.53191414e-10  2.50749751e-25
  1.20304292e-34 -4.00693786e-50]
energy per atom =  -4.367812881007595
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0