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 17:53:35       -8.088754        1.2829
BFGS:    1 17:53:35       -8.152952        1.0429
BFGS:    2 17:53:35       -8.243938        0.1138
BFGS:    3 17:53:35       -8.244856        0.0139
BFGS:    4 17:53:35       -8.244870        0.0000
BFGS:    5 17:53:35       -8.244870        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.393245965683928e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8553246194498816, -2.337088423208356e-33, 1.3879717796828758e-33], [1.8847552981716694e-33, 2.8553246194498816, -4.604005375098298e-20], [1.7053218863665758e-33, -4.6040053751032127e-20, 2.8553246194498816]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.39324597e-10  5.39324597e-10  5.39324597e-10  8.88921683e-26
 -1.57484656e-35  6.90315866e-52]
energy per atom =  -4.122435100732769
===============================================
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