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_MagneticCubic_MendelevHanSrolovitz_2003_Fe__MO_856295952425_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 15:53:02       -8.088754         1.282851
BFGS:    1 15:53:02       -8.152952         1.042910
BFGS:    2 15:53:02       -8.243938         0.113793
BFGS:    3 15:53:02       -8.244856         0.013894
BFGS:    4 15:53:02       -8.244870         0.000027
BFGS:    5 15:53:02       -8.244870         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.393257913536786e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8553246194498825, -6.835875745764314e-33, 1.2455829838941355e-33], [-8.277525893484358e-33, 2.8553246194498825, 2.397123086957237e-20], [4.057988234568172e-33, 2.3971230869517707e-20, 2.8553246194498825]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.39325791e-10  5.39325791e-10  5.39325791e-10 -1.37825202e-25
 -2.25407263e-58  5.59320485e-58]
energy per atom =  -4.122435100732771
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0
 Potential info: Fe Mendelev potential
 Atomic number:           26
 Potential info: Fe Mendelev potential
 Atomic number:           26
 Potential info: Fe Mendelev potential
 Atomic number:           26