element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5687']
model name:
EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.5687, 0, 0], [0, 3.5687, 0], [0, 0, 3.5687]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:10:53      -17.827995         0.478392
BFGS:    1 11:10:53      -17.837016         0.401172
BFGS:    2 11:10:53      -17.856773         0.042166
BFGS:    3 11:10:53      -17.856970         0.003242
BFGS:    4 11:10:53      -17.856971         0.000029
BFGS:    5 11:10:53      -17.856971         0.000000
BFGS:    6 11:10:53      -17.856971         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.049597262566255e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.87256138e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.5337219965902635, 5.987353960973982e-32, -7.942470653735174e-33], [1.2209488073088948e-32, 3.5337219965902635, 2.681513960546626e-19], [-1.5104364984889583e-32, 2.6815139605467714e-19, 3.5337219965902635]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [1.04959726e-14 1.04959726e-14 1.04959726e-14 6.58177130e-32
 3.29029203e-34 3.00700160e-50]
energy per atom =  -4.464242738485886
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0