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_MagneticCubic_DudarevDerlet_2005_Fe__MO_135034229282_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       -3.442337         1.933298
BFGS:    1 16:39:35       -3.500415         1.463533
BFGS:    2 16:39:35       -3.315391        11.446521
BFGS:    3 16:39:35       -3.508223         0.877182
BFGS:    4 16:39:35       -3.510204         0.366679
BFGS:    5 16:39:35       -3.510710         0.096063
BFGS:    6 16:39:35       -3.510754         0.004008
BFGS:    7 16:39:35       -3.510754         0.000033
BFGS:    8 16:39:35       -3.510754         0.000001
BFGS:    9 16:39:35       -3.510754         0.000000
BFGS:   10 16:39:35       -3.510754         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.606082426677566e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.2162552743519495, 1.3340167702588382e-33, 2.06551811368726e-33], [1.2153876547805897e-33, 2.216255274351949, -2.539656572423142e-17], [6.958498930352469e-33, -2.4683423473272138e-17, 2.216255274452606]])
forces =  [[0. 0. 0.]]
stress =  [-2.65992508e-10 -2.65992508e-10  4.60608243e-10 -9.44034548e-26
  7.84207388e-35 -2.61402964e-50]
energy per atom =  -3.5107544529501404
===============================================
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: a magnetic interatomic potential for alpha iron
 Atomic number:           26
 Potential info: a magnetic interatomic potential for alpha iron
 Atomic number:           26