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:
Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_004
==== 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 17:55:21       -8.425637        1.4179
BFGS:    1 17:55:21       -8.491233        0.8700
BFGS:    2 17:55:21       -8.550543        0.3429
BFGS:    3 17:55:21       -8.559762        0.0570
BFGS:    4 17:55:21       -8.560003        0.0030
BFGS:    5 17:55:21       -8.560004        0.0000
BFGS:    6 17:55:21       -8.560004        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.162152751233376e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8601954560116853, -4.5474081441278806e-33, 3.322927665258423e-33], [-3.3402364646584074e-33, 2.8601954560116853, -2.9413308169910383e-18], [-7.788522434831241e-33, -2.941330816991076e-18, 2.8601954560116853]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.16215275e-10 -8.16215275e-10 -8.16215275e-10 -6.95446423e-26
 -2.38153360e-58  1.06130506e-58]
energy per atom =  -4.280001867262442
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0