element(s):
['Fe']
AFLOW prototype label:
A_hP2_194_c
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:
['2.4403', '1.5759538']
model name:
EAM_MagneticCubic_MendelevHanSrolovitz_2003_Fe__MO_856295952425_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4403, 0, 0], [-1.22015, 2.1133617928552, 0], [0, 0, 3.8458]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:54:02       -7.672816        2.0780
BFGS:    1 14:54:02       -7.776809        1.7541
BFGS:    2 14:54:02       -7.912172        1.1338
BFGS:    3 14:54:02       -7.986661        0.4610
BFGS:    4 14:54:02       -8.006759        0.1102
BFGS:    5 14:54:02       -8.008967        0.0393
BFGS:    6 14:54:02       -8.009209        0.0163
BFGS:    7 14:54:02       -8.009225        0.0175
BFGS:    8 14:54:02       -8.009242        0.0210
BFGS:    9 14:54:02       -8.009294        0.0272
BFGS:   10 14:54:02       -8.009414        0.0339
BFGS:   11 14:54:02       -8.009631        0.0417
BFGS:   12 14:54:02       -8.009765        0.0270
BFGS:   13 14:54:02       -8.009854        0.0008
BFGS:   14 14:54:02       -8.009854        0.0001
BFGS:   15 14:54:02       -8.009854        0.0000
BFGS:   16 14:54:02       -8.009854        0.0000
Minimization converged after 16 steps.
Maximum force component: 3.406301688971073e-32 eV/Angstrom
Maximum stress component: 6.185545606726738e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.6206364955928687, -2.2446571113825177e-17, 7.069306439362002e-39], [-1.3103182477964344, 2.2695377792680507, 1.0565209398519967e-36], [-1.8924742826671997e-35, -4.875671763708103e-35, 4.145280365359308]])
forces =  [[-1.88427393e-32  1.39871065e-32 -3.40630169e-32]
 [ 1.88427393e-32 -1.39871065e-32  3.40630169e-32]]
stress =  [-4.43448802e-11 -4.43448802e-11  6.18554561e-11 -4.36724825e-34
  4.38173231e-46 -2.99350865e-27]
energy per atom =  -4.0049270295359
===============================================
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