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_BelandTammMu_2017_FeNiCr__MO_715003088863_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 16:53:22       -7.970949         0.413037
BFGS:    1 16:53:22       -7.977868         0.368854
BFGS:    2 16:53:22       -8.008104         0.059233
BFGS:    3 16:53:22       -8.009057         0.007656
BFGS:    4 16:53:22       -8.009072         0.000295
BFGS:    5 16:53:22       -8.009072         0.000001
BFGS:    6 16:53:22       -8.009072         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.9529618326697933e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.866966920023493, 5.015475966202877e-33, -1.5310786269733167e-35], [5.732558980629697e-33, 2.8669669200234926, -1.0184463969195235e-20], [-4.578153513104588e-34, -1.0184463969242017e-20, 2.8669669200234926]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.95296183e-12  2.95296183e-12  2.95296183e-12 -4.22425373e-29
 -1.17156159e-35  5.22631787e-53]
energy per atom =  -4.004536246433907
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0