element(s):
['Fe']
AFLOW prototype label:
A_tP1_123_a
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:
['2.2256', '1.0359004']
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 =  123
cell =  [[2.2256, 0, 0], [0, 2.2256, 0], [0, 0, 2.3055]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:28:06       -3.340630        1.7388
BFGS:    1 17:28:06       -3.393121        0.4601
BFGS:    2 17:28:06       -3.398621        0.1707
BFGS:    3 17:28:06       -3.399713        0.0416
BFGS:    4 17:28:06       -3.399795        0.0084
BFGS:    5 17:28:06       -3.399798        0.0058
BFGS:    6 17:28:06       -3.399799        0.0033
BFGS:    7 17:28:06       -3.399799        0.0005
BFGS:    8 17:28:06       -3.399799        0.0001
BFGS:    9 17:28:06       -3.399799        0.0000
BFGS:   10 17:28:06       -3.399799        0.0000
BFGS:   11 17:28:06       -3.399799        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.5461766904580486e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.3170313309466053, 6.383391844794294e-35, -1.0640601485571439e-32], [-4.103101235300331e-35, 2.3170313309466053, 5.611257469628161e-20], [-5.299447082809968e-33, 5.718255411027481e-20, 2.3170313319387708]])
forces =  [[0. 0. 0.]]
stress =  [-3.92048186e-10 -3.92048186e-10  4.54617669e-10  6.57994204e-27
  4.37718235e-39  4.60312366e-55]
energy per atom =  -3.3997992472625893
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tP1_123_a, while relaxed is A_cP1_221_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.