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_BonnyCastinBullens_2013_FeW__MO_737567242631_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 17:51:51       -8.088754        1.2829
BFGS:    1 17:51:51       -8.152952        1.0429
BFGS:    2 17:51:51       -8.243938        0.1138
BFGS:    3 17:51:51       -8.244856        0.0139
BFGS:    4 17:51:51       -8.244870        0.0000
BFGS:    5 17:51:51       -8.244870        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.345674693463225e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.855324619475835, 3.4317400044958124e-33, -2.8192399225373682e-33], [1.0074733251723881e-32, 2.855324619475835, -3.813422637102769e-18], [-3.748349673363392e-33, -3.813422637102814e-18, 2.855324619475835]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [5.34567469e-10 5.34567469e-10 5.34567469e-10 9.11346896e-28
 1.07089566e-33 3.72276297e-50]
energy per atom =  -4.12243510073564
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0