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 15:39:18      -15.814420         1.711145
BFGS:    1 15:39:18      -15.926197         1.363084
BFGS:    2 15:39:18      -16.065060         0.178494
BFGS:    3 15:39:18      -16.065228         0.171742
BFGS:    4 15:39:18      -16.066135         0.006077
BFGS:    5 15:39:18      -16.066136         0.000194
BFGS:    6 15:39:18      -16.066136         0.000000
BFGS:    7 15:39:18      -16.066136         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.842395131922043e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [1.7349334e-49 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]]
cellpar =  Cell([[3.9438272643505448, -1.5253861014961075e-32, -1.5423609078563306e-33], [-1.0832671761989879e-33, 3.9438272643505448, -2.3869136783748715e-19], [-2.389667188968345e-33, -2.386913678374876e-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 -3.89986955e-30
  4.48635383e-62 -3.10767791e-62]
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