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_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_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 16:06:57       -8.454001         1.421052
BFGS:    1 16:06:57       -8.527589         0.989753
BFGS:    2 16:06:57       -8.601480         0.076239
BFGS:    3 16:06:57       -8.601879         0.008247
BFGS:    4 16:06:57       -8.601883         0.000101
BFGS:    5 16:06:57       -8.601883         0.000000
BFGS:    6 16:06:57       -8.601883         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.353657678589523e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8603419950637377, 1.7733839646895405e-32, -3.9961333226700244e-33], [3.836620543098767e-33, 2.8603419950637377, 2.6615374241357115e-18], [3.212890182407779e-33, 2.66153742413566e-18, 2.8603419950637377]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.35365768e-14 -9.35365768e-14 -9.35365768e-14 -1.97616215e-30
 -1.44005433e-61 -5.17456435e-62]
energy per atom =  -4.300941665235073
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0