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_1988T2_Si__MO_245095684871_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      -16.328992        0.0834
BFGS:    1 17:17:07      -16.329267        0.0706
BFGS:    2 17:17:07      -16.329961        0.0009
BFGS:    3 17:17:07      -16.329961        0.0000
BFGS:    4 17:17:07      -16.329961        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.664003588964184e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.54473123e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.49438285e-35]]
cellpar =  Cell([[3.86053396169359, 1.4616640873783257e-33, 4.7319511296028234e-33], [-1.3119470155742076e-32, 3.86053396169359, 1.3909608260313557e-18], [-1.5520524795213536e-32, 1.3909608260313794e-18, 3.86053396169359]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.66400359e-11  7.66400359e-11  7.66400359e-11 -2.49329043e-26
 -1.34490193e-58 -1.73782720e-59]
energy per atom =  -4.082490320078615
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0