element(s):
['Fe']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9647']
model name:
EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.9647, 0, 0], [0, 2.9647, 0], [0, 0, 2.9647]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:53:22       -7.885025        0.7368
BFGS:    1 17:53:22       -7.906033        0.5919
BFGS:    2 17:53:22       -7.945250        0.0917
BFGS:    3 17:53:22       -7.947173        0.0741
BFGS:    4 17:53:22       -7.953110        0.0251
BFGS:    5 17:53:22       -7.951966        0.0797
BFGS:    6 17:53:22       -7.953302        0.0056
BFGS:    7 17:53:22       -7.953310        0.0010
BFGS:    8 17:53:22       -7.953310        0.0000
BFGS:    9 17:53:22       -7.953310        0.0000
BFGS:   10 17:53:22       -7.953310        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.257000548777435e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.816955480378789, 5.082505200580777e-33, -2.432458293563896e-34], [-1.3070619476942568e-33, 2.816955480378789, -2.3268664489929246e-18], [2.107158907897191e-32, -2.3268664489929916e-18, 2.816955480378789]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.25700055e-13  7.25700055e-13  7.25700055e-13 -2.58910465e-28
  2.58886404e-34 -6.90673290e-50]
energy per atom =  -3.9766552086284306
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0