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_1959HighCutoff_Fe__MO_147603128437_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 17:54:32       -8.231321        1.1297
BFGS:    1 17:54:32       -8.280613        0.9026
BFGS:    2 17:54:32       -8.354379        0.0381
BFGS:    3 17:54:32       -8.354485        0.0063
BFGS:    4 17:54:32       -8.354488        0.0000
BFGS:    5 17:54:32       -8.354488        0.0000
BFGS:    6 17:54:32       -8.354488        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.230125670554956e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.863848520439027, -1.326248631982611e-32, 2.976183885296318e-33], [-2.7234380598538784e-32, 2.863848520439027, 4.686765239071499e-17], [1.1469901925876669e-32, 4.6867652390714934e-17, 2.8638485204390265]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.23012567e-14 -1.23012567e-14 -1.23012567e-14 -1.63555415e-30
  2.70351086e-62  1.41420551e-62]
energy per atom =  -4.177243978760301
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0