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_ZhouFosterSills_2018_FeNiCr__MO_036303866285_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 17:53:15       -8.398527        1.5348
BFGS:    1 17:53:15       -8.485665        1.0959
BFGS:    2 17:53:15       -8.559266        0.1564
BFGS:    3 17:53:15       -8.560629        0.0106
BFGS:    4 17:53:15       -8.560635        0.0001
BFGS:    5 17:53:15       -8.560635        0.0000
BFGS:    6 17:53:15       -8.560635        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.027229975035023e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8667457459515617, -8.650133995031477e-34, -6.551413768795487e-34], [-5.252978129240691e-33, 2.8667457459515617, 1.455014074097737e-19], [-1.0168162798423407e-34, 1.4550140740972717e-19, 2.8667457459515617]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.02722998e-15  3.02722998e-15  3.02722998e-15 -8.25342052e-32
 -1.56232317e-35  2.82932120e-52]
energy per atom =  -4.280317524482392
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0