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 15:56:37       -8.425637         1.417933
BFGS:    1 15:56:37       -8.491233         0.869956
BFGS:    2 15:56:37       -8.550543         0.342855
BFGS:    3 15:56:37       -8.559762         0.056977
BFGS:    4 15:56:37       -8.560003         0.002953
BFGS:    5 15:56:37       -8.560004         0.000024
BFGS:    6 15:56:37       -8.560004         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.162152751233382e-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, 1.5482610942550532e-32, -2.715156824499227e-33], [1.4653740627378397e-32, 2.8601954560116853, 2.2104415668770372e-20], [5.283474212400465e-33, 2.2104415668714038e-20, 2.8601954560116853]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.16215275e-10 -8.16215275e-10 -8.16215275e-10 -1.81665203e-26
 -7.63689143e-59 -7.99977371e-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