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_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_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 16:06:56       -8.464268         0.800975
BFGS:    1 16:06:56       -8.490230         0.709379
BFGS:    2 16:06:56       -8.558313         0.158696
BFGS:    3 16:06:56       -8.559766         0.107032
BFGS:    4 16:06:56       -8.560578         0.011217
BFGS:    5 16:06:56       -8.560588         0.000650
BFGS:    6 16:06:56       -8.560588         0.000004
BFGS:    7 16:06:56       -8.560588         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4318306109133154e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.859998835356739, 1.5173686128766132e-32, 9.110119237657693e-33], [7.04373950870715e-33, 2.859998835356739, 1.8926672956282083e-18], [-1.9170431753587484e-33, 1.89266729562817e-18, 2.859998835356739]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.43183061e-10  1.43183061e-10  1.43183061e-10 -1.70651521e-26
  2.35455464e-35 -2.88210285e-51]
energy per atom =  -4.280293974651677
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0