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 17:53:35      -27.641499        1.2177
BFGS:    1 17:53:35      -27.697502        0.9257
BFGS:    2 17:53:35      -27.767188        0.0236
BFGS:    3 17:53:35      -27.767229        0.0019
BFGS:    4 17:53:35      -27.767229        0.0000
BFGS:    5 17:53:35      -27.767229        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.78598941396962e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8665045923745294, -1.3694638942889778e-32, 1.5389585671135428e-33], [-8.673612961198265e-33, 2.8665045923745294, 2.527111799943532e-19], [-2.5367420689374552e-33, 2.527111799943075e-19, 2.8665045923745294]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.78598941e-11 -2.78598941e-11 -2.78598941e-11  3.82827239e-28
 -2.00011014e-33  8.89021814e-51]
energy per atom =  -13.8836145013347
===============================================
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