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_DudarevDerlet_2005_Fe__MO_135034229282_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       -8.484337        1.4781
BFGS:    1 17:53:35       -8.563697        1.0226
BFGS:    2 17:53:35       -8.631841        0.0466
BFGS:    3 17:53:35       -8.631999        0.0043
BFGS:    4 17:53:35       -8.632000        0.0000
BFGS:    5 17:53:35       -8.632000        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.698359772398602e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8664998611662593, 1.7794781529565892e-33, 9.074372352189747e-34], [2.5450647355227548e-33, 2.8664998611662593, -4.065622896808294e-19], [-2.2515601114101456e-33, -4.0656228968087287e-19, 2.8664998611662593]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.69835977e-12 -2.69835977e-12 -2.69835977e-12 -4.73102770e-28
 -1.65723801e-60  5.20853880e-62]
energy per atom =  -4.316000029530795
===============================================
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