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_1959LowCutoff_Fe__MO_331285495617_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 17:45:34       -2.806013         3.284508
BFGS:    1 17:45:34       -3.017692         1.035637
BFGS:    2 17:45:35       -3.057785         0.345803
BFGS:    3 17:45:35       -3.063853         0.036119
BFGS:    4 17:45:35       -3.063876         0.010314
BFGS:    5 17:45:35       -3.063878         0.002655
BFGS:    6 17:45:35       -3.063878         0.000400
BFGS:    7 17:45:35       -3.063878         0.000041
BFGS:    8 17:45:35       -3.063878         0.000003
BFGS:    9 17:45:35       -3.063878         0.000000
BFGS:   10 17:45:35       -3.063878         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7954467851896868e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.4089961430433715, 1.6534060379843441e-34, -2.0963303796715388e-37], [-1.2084016002712225e-34, 2.4089961430433715, -2.1095150354983073e-19], [-1.9242633041781404e-33, -2.1096436351687359e-19, 2.4089961432701843]])
forces =  [[0. 0. 0.]]
stress =  [-1.07498796e-10 -1.07498796e-10  1.79544679e-10  2.70943906e-26
 -1.62048296e-38 -3.40974483e-54]
energy per atom =  -3.0638779361285917
===============================================
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.