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_DudarevDerlet_2005_Fe__MO_135034229282_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 14:53:23       -8.134117        2.2381
BFGS:    1 14:53:23       -8.266681        1.7934
BFGS:    2 14:53:23       -8.399683        1.0000
BFGS:    3 14:53:23       -8.453893        0.3125
BFGS:    4 14:53:23       -8.457860        0.1132
BFGS:    5 14:53:23       -8.458190        0.0725
BFGS:    6 14:53:23       -8.458657        0.0680
BFGS:    7 14:53:23       -8.459081        0.0435
BFGS:    8 14:53:23       -8.459235        0.0154
BFGS:    9 14:53:23       -8.459256        0.0043
BFGS:   10 14:53:23       -8.459257        0.0003
BFGS:   11 14:53:23       -8.459257        0.0000
BFGS:   12 14:53:23       -8.459257        0.0000
BFGS:   13 14:53:23       -8.459257        0.0000
Minimization converged after 13 steps.
Maximum force component: 4.979186387337383e-32 eV/Angstrom
Maximum stress component: 3.838365761277836e-10 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([[2.551323733917559, -1.502140672474601e-17, 2.8090309165063084e-37], [-1.2756618669587796, 2.2095111668507763, 5.823344418698897e-37], [-7.90588552214245e-36, -3.4757534045904694e-35, 4.166294210231543]])
forces =  [[ 4.97918639e-32 -3.17733824e-32  3.34332949e-35]
 [-4.45506150e-32  2.26952732e-32  1.67166475e-35]]
stress =  [-1.05546175e-10 -1.05546175e-10 -3.83836576e-10 -4.18431475e-35
 -2.39356303e-46  1.07057058e-26]
energy per atom =  -4.229628457924902
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0
 Potential info: a magnetic interatomic potential for alpha iron
 Atomic number:           26
 Potential info: a magnetic interatomic potential for alpha iron
 Atomic number:           26
 Potential info: a magnetic interatomic potential for alpha iron
 Atomic number:           26