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_BonnyPasianotMalerba_2009_FeNi__MO_267721408934_005
==== 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 16:06:56       -8.088754         1.282851
BFGS:    1 16:06:56       -8.152952         1.042910
BFGS:    2 16:06:56       -8.243938         0.113793
BFGS:    3 16:06:56       -8.244856         0.013894
BFGS:    4 16:06:56       -8.244870         0.000027
BFGS:    5 16:06:56       -8.244870         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.341223483635174e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.85532461956925, 2.1152852528467822e-35, 9.675112295517615e-34], [4.138481945339552e-36, 2.85532461956925, 2.4564003235261287e-19], [-2.537619711382926e-33, 2.456400323525669e-19, 2.85532461956925]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.34122348e-10  5.34122348e-10  5.34122348e-10 -3.58047044e-25
  1.41736191e-34  4.49047096e-52]
energy per atom =  -4.122435100735193
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0