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 16:53:27       -7.885025         0.736832
BFGS:    1 16:53:27       -7.906033         0.591880
BFGS:    2 16:53:27       -7.945250         0.091737
BFGS:    3 16:53:27       -7.947173         0.074119
BFGS:    4 16:53:27       -7.953110         0.025110
BFGS:    5 16:53:27       -7.951966         0.079702
BFGS:    6 16:53:27       -7.953302         0.005621
BFGS:    7 16:53:27       -7.953310         0.001046
BFGS:    8 16:53:27       -7.953310         0.000024
BFGS:    9 16:53:27       -7.953310         0.000000
BFGS:   10 16:53:27       -7.953310         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.2609987639236e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8169554803787893, 6.796957036431613e-33, 4.107201656262868e-34], [4.17049491967319e-33, 2.8169554803787893, 7.952163813796074e-18], [4.19869576501778e-33, 7.952163813796025e-18, 2.8169554803787893]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.26099876e-13  7.26099876e-13  7.26099876e-13 -3.50891874e-29
 -1.72490140e-60 -1.59263994e-61]
energy per atom =  -3.976655208628427
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0