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:
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Fe__MO_331285495617_004
==== 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 15:54:41       -7.676862         0.947599
BFGS:    1 15:54:41       -7.711284         0.744677
BFGS:    2 15:54:41       -7.758058         0.162034
BFGS:    3 15:54:41       -7.759924         0.020343
BFGS:    4 15:54:41       -7.759955         0.000468
BFGS:    5 15:54:41       -7.759955         0.000001
BFGS:    6 15:54:41       -7.759955         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.761169642717e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.882650244655579, -7.502608410456185e-33, 4.1656407226469664e-33], [-2.1641401402322505e-33, 2.882650244655579, -1.2864227170973137e-18], [-5.864731847913497e-33, -1.2864227170973605e-18, 2.882650244655579]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.76116964e-12  7.76116964e-12  7.76116964e-12 -3.12970394e-28
  6.17621515e-35  2.93610449e-52]
energy per atom =  -3.879977585280132
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0