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 13:56:26       -8.134117         2.238066
BFGS:    1 13:56:26       -8.266681         1.793395
BFGS:    2 13:56:26       -8.399683         0.999998
BFGS:    3 13:56:26       -8.453893         0.312530
BFGS:    4 13:56:26       -8.457860         0.113225
BFGS:    5 13:56:26       -8.458190         0.072549
BFGS:    6 13:56:26       -8.458657         0.067985
BFGS:    7 13:56:26       -8.459081         0.043544
BFGS:    8 13:56:26       -8.459235         0.015404
BFGS:    9 13:56:26       -8.459256         0.004299
BFGS:   10 13:56:26       -8.459257         0.000255
BFGS:   11 13:56:26       -8.459257         0.000014
BFGS:   12 13:56:27       -8.459257         0.000000
BFGS:   13 13:56:27       -8.459257         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.838362529095414e-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, -1.274424760926938e-17, -2.5051324918406332e-36], [-1.2756618669587796, 2.209511166850776, -1.2702558176456743e-35], [2.1863624532984586e-35, 6.361403569482176e-35, 4.166294210231544]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.05546438e-10 -1.05546438e-10 -3.83836253e-10  3.12428835e-33
  7.73060879e-34 -1.38574158e-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