element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB_tP2_123_a_d
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:
['2.5968', '1.3704174']
model name:
EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  123
cell =  [[2.5968, 0, 0], [0, 2.5968, 0], [0, 0, 3.5587]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:30:57       -8.319221        0.2155
BFGS:    1 16:30:57       -8.319901        0.2213
BFGS:    2 16:30:57       -8.330511        0.2594
BFGS:    3 16:30:57       -8.332032        0.7045
BFGS:    4 16:30:57       -8.338778        0.4813
BFGS:    5 16:30:57       -8.355206        0.3369
BFGS:    6 16:30:57       -8.391661        0.3369
BFGS:    7 16:30:57       -8.422002        0.3003
BFGS:    8 16:30:57       -8.436857        0.0916
BFGS:    9 16:30:57       -8.437191        0.0273
BFGS:   10 16:30:57       -8.437229        0.0260
BFGS:   11 16:30:57       -8.437272        0.0207
BFGS:   12 16:30:57       -8.437289        0.0075
BFGS:   13 16:30:57       -8.437292        0.0007
BFGS:   14 16:30:57       -8.437292        0.0000
BFGS:   15 16:30:57       -8.437292        0.0000
BFGS:   16 16:30:57       -8.437292        0.0000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.009800071347555e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.421428583512439, 1.5552939615642178e-35, -4.99892990561758e-33], [-3.2578100532577936e-35, 2.4214285835124385, -3.108698201134606e-17], [1.5927408974691587e-32, -4.3683621928739685e-17, 4.031956244423532]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [2.13568932e-11 2.13568932e-11 3.00980007e-10 1.43203343e-26
 3.21215057e-42 2.38867811e-58]
energy per atom =  -4.218645929196558
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0