element(s):
['Si']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.868']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.868, 0, 0], [0, 3.868, 0], [0, 0, 3.868]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:17:07      -15.853021        1.6132
BFGS:    1 17:17:07      -15.904653        0.0392
BFGS:    2 17:17:07      -15.904690        0.0056
BFGS:    3 17:17:07      -15.904691        0.0000
BFGS:    4 17:17:07      -15.904691        0.0000
BFGS:    5 17:17:07      -15.904691        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.293830148178184e-16 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.846331194526917, -5.007188331393555e-34, 2.4012285895412562e-34], [-5.341000454732546e-34, 3.846331194526917, 8.015654110784758e-25], [-3.9649127762562575e-34, 8.01565410577794e-25, 3.846331194526917]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.29383015e-16 -2.29383015e-16 -2.29383015e-16  6.03358061e-33
 -9.72017077e-34  3.45583500e-50]
energy per atom =  -3.9761727088132255
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0