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 16:55:39       -8.231321         1.129719
BFGS:    1 16:55:39       -8.280613         0.902579
BFGS:    2 16:55:39       -8.354379         0.038141
BFGS:    3 16:55:39       -8.354485         0.006279
BFGS:    4 16:55:39       -8.354488         0.000035
BFGS:    5 16:55:39       -8.354488         0.000000
BFGS:    6 16:55:39       -8.354488         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2066509043449264e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8638485204390274, -7.16518725705147e-33, 9.849340974630086e-33], [-2.0778412506453573e-32, 2.8638485204390274, 4.686765274473933e-17], [1.179816319914397e-32, 4.6867652744739284e-17, 2.863848520439027]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.20665090e-14 -1.20665090e-14 -1.20665090e-14 -2.73856660e-30
 -1.00191093e-33 -2.11922879e-49]
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