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_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_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 15:53:19       -8.088754         1.282851
BFGS:    1 15:53:19       -8.152952         1.042910
BFGS:    2 15:53:19       -8.243938         0.113793
BFGS:    3 15:53:19       -8.244856         0.013894
BFGS:    4 15:53:19       -8.244870         0.000027
BFGS:    5 15:53:19       -8.244870         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.341230506067166e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8553246195692505, -1.64778804988729e-32, -1.8113320190690648e-33], [-2.637676625173846e-32, 2.8553246195692505, 2.042905249748281e-18], [-1.0079541086700255e-34, 2.042905249748224e-18, 2.8553246195692505]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.34123051e-10  5.34123051e-10  5.34123051e-10 -6.26652902e-27
  2.44101217e-34 -1.27808073e-51]
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