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 17:27:43      -12.922275        1.5099
BFGS:    1 17:27:43      -12.946036        0.4474
BFGS:    2 17:27:43      -12.947631        0.1120
BFGS:    3 17:27:43      -12.947726        0.0055
BFGS:    4 17:27:43      -12.947726        0.0001
BFGS:    5 17:27:43      -12.947726        0.0000
BFGS:    6 17:27:43      -12.947726        0.0000
BFGS:    7 17:27:43      -12.947726        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.072388904773046e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.238980560499794, -3.771065098628687e-35, 5.1604167010648446e-33], [-3.100450519204338e-35, 2.2389805604997934, -4.45253898003971e-21], [6.935226668531385e-34, -4.4530076519521405e-21, 2.2389805602534736]])
forces =  [[0. 0. 0.]]
stress =  [ 7.23176339e-11  7.23176339e-11 -5.07238890e-10  7.66178649e-26
 -3.00455202e-39  5.29296569e-55]
energy per atom =  -12.947725950501546
===============================================
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