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_Tersoff_1988T3_Si__MO_186459956893_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 15:31:42      -15.375926         2.016500
BFGS:    1 15:31:42      -15.474896         0.131030
BFGS:    2 15:31:42      -15.475196         0.031764
BFGS:    3 15:31:42      -15.475215         0.000320
BFGS:    4 15:31:42      -15.475215         0.000001
BFGS:    5 15:31:42      -15.475215         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2680461650201803e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.54423529e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.8974184341180282, 8.432517493386079e-33, -9.294725964368224e-34], [8.958078916557557e-33, 3.8974184341180282, -4.242769298841958e-20], [-1.1917689103301492e-34, -4.242769298841898e-20, 3.8974184341180282]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.26804617e-12  1.26804617e-12  1.26804617e-12 -5.50493279e-31
 -1.03856002e-62  2.91622956e-62]
energy per atom =  -3.8688036368624226
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0