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:
EAM_Magnetic2GQuintic_ChiesaDerletDudarev_2011_Fe__MO_140444321607_002
==== 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 16:39:35      -12.922275         1.509936
BFGS:    1 16:39:35      -12.946036         0.447393
BFGS:    2 16:39:35      -12.947631         0.111952
BFGS:    3 16:39:35      -12.947726         0.005476
BFGS:    4 16:39:35      -12.947726         0.000122
BFGS:    5 16:39:35      -12.947726         0.000010
BFGS:    6 16:39:35      -12.947726         0.000000
BFGS:    7 16:39:35      -12.947726         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.072390388475891e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.238980560499794, -3.771145081121353e-35, -3.4474601480911502e-34], [-3.1004166804576923e-35, 2.2389805604997943, -4.453256910792651e-21], [1.3816679705744909e-33, -4.4537255826959506e-21, 2.2389805602534736]])
forces =  [[0. 0. 0.]]
stress =  [ 7.23161848e-11  7.23161848e-11 -5.07239039e-10  2.15410421e-26
 -1.46912398e-40  7.27610625e-57]
energy per atom =  -12.947725950501535
===============================================
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.
 Potential info: proved magnetic potential with 5th order knot functions
 Potential info: proved magnetic potential with 5th order knot functions