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_2005SiII_SiC__MO_408791041969_004
==== 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      -15.814420        1.7111
BFGS:    1 17:17:07      -15.926197        1.3631
BFGS:    2 17:17:07      -16.065060        0.1785
BFGS:    3 17:17:07      -16.065228        0.1717
BFGS:    4 17:17:07      -16.066135        0.0061
BFGS:    5 17:17:07      -16.066136        0.0002
BFGS:    6 17:17:07      -16.066136        0.0000
BFGS:    7 17:17:07      -16.066136        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.842395131922044e-13 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([[3.9438272643505448, 5.516895365742711e-33, -8.477807481948584e-33], [-4.1457576384076224e-35, 3.9438272643505448, -2.3804887504845907e-19], [8.017284052446367e-33, -2.380488750484767e-19, 3.9438272643505448]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.84239513e-13 -5.84239513e-13 -5.84239513e-13  1.05223490e-29
  6.60394494e-35 -1.25458419e-51]
energy per atom =  -4.016534026221998
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0