element(s):
['Fe']
AFLOW prototype label:
A_tP1_123_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.2256', '1.0359004']
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 =  123
cell =  [[2.2256, 0, 0], [0, 2.2256, 0], [0, 0, 2.3055]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:50:00       -3.112080         2.862690
BFGS:    1 09:50:00       -3.272418         0.965823
BFGS:    2 09:50:00       -3.305068         0.241767
BFGS:    3 09:50:01       -3.308063         0.054819
BFGS:    4 09:50:01       -3.308132         0.012225
BFGS:    5 09:50:01       -3.308134         0.003559
BFGS:    6 09:50:01       -3.308134         0.000360
BFGS:    7 09:50:01       -3.308134         0.000032
BFGS:    8 09:50:01       -3.308134         0.000002
BFGS:    9 09:50:01       -3.308134         0.000000
BFGS:   10 09:50:01       -3.308134         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.713170642528976e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.3857051268444147, -2.494150969140486e-34, -4.036358342795426e-35], [-1.6999327414533235e-34, 2.3857051268444147, 2.4574764025058557e-22], [-1.590906894982555e-34, 2.4571446879514126e-22, 2.385705126953539]])
forces =  [[0. 0. 0.]]
stress =  [-5.20325586e-11 -5.20325586e-11  9.71317064e-11 -8.50908277e-28
  5.81011361e-45 -2.31064877e-61]
energy per atom =  -3.30813399078095
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tP1_123_a, while relaxed is A_cP1_221_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.