element(s):
['Fe']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9647']
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 =  229
cell =  [[2.9647, 0, 0], [0, 2.9647, 0], [0, 0, 2.9647]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:55:38      -27.641499         1.217659
BFGS:    1 16:55:39      -27.697502         0.925660
BFGS:    2 16:55:39      -27.767188         0.023609
BFGS:    3 16:55:39      -27.767229         0.001871
BFGS:    4 16:55:39      -27.767229         0.000003
BFGS:    5 16:55:39      -27.767229         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.786722633378834e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8665045923745267, 5.743977837948265e-33, -9.08863666103577e-33], [-2.8501352771784907e-33, 2.8665045923745267, 3.3816711182532904e-19], [-1.2328328600185706e-33, 3.381671118252886e-19, 2.8665045923745267]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.78672263e-11 -2.78672263e-11 -2.78672263e-11 -6.18283188e-27
 -7.81293025e-36 -8.32794887e-52]
energy per atom =  -13.883614501334689
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0
 Potential info: proved magnetic potential with 5th order knot functions
 Potential info: proved magnetic potential with 5th order knot functions
 Potential info: proved magnetic potential with 5th order knot functions