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 17:29:29       -2.806013        3.2845
BFGS:    1 17:29:29       -3.017692        1.0356
BFGS:    2 17:29:29       -3.057785        0.3458
BFGS:    3 17:29:29       -3.063853        0.0361
BFGS:    4 17:29:29       -3.063876        0.0103
BFGS:    5 17:29:29       -3.063878        0.0027
BFGS:    6 17:29:29       -3.063878        0.0004
BFGS:    7 17:29:29       -3.063878        0.0000
BFGS:    8 17:29:29       -3.063878        0.0000
BFGS:    9 17:29:29       -3.063878        0.0000
BFGS:   10 17:29:29       -3.063878        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7954275469336032e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.4089961430433715, 1.6289131761238348e-34, 1.0236420974239138e-32], [-1.4738837292903217e-34, 2.4089961430433715, 2.7141380476853148e-19], [-6.451047953810801e-34, 2.712216454727869e-19, 2.4089961432701825]])
forces =  [[0. 0. 0.]]
stress =  [-1.07498432e-10 -1.07498432e-10  1.79542755e-10  1.43838880e-26
  1.62045235e-38  5.50906487e-55]
energy per atom =  -3.0638779361285935
===============================================
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.