element(s):
['Si']
AFLOW prototype label:
A_tI4_141_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8146', '0.54949529']
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 =  141
cell =  [[4.8146, 0, 0], [0, 4.8146, 0], [0, 0, 2.6456]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:15:00      -16.507699        1.5476
BFGS:    1 17:15:00      -16.572285        1.1558
BFGS:    2 17:15:00      -16.642957        0.6121
BFGS:    3 17:15:00      -16.654158        0.7579
BFGS:    4 17:15:00      -16.677117        0.7838
BFGS:    5 17:15:00      -16.695364        0.4620
BFGS:    6 17:15:00      -16.701671        0.1292
BFGS:    7 17:15:00      -16.702726        0.0113
BFGS:    8 17:15:00      -16.702738        0.0003
BFGS:    9 17:15:00      -16.702738        0.0000
BFGS:   10 17:15:00      -16.702738        0.0000
BFGS:   11 17:15:00      -16.702738        0.0000
Minimization converged after 11 steps.
Maximum force component: 4.302483982791053e-31 eV/Angstrom
Maximum stress component: 9.395270209425256e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.82587477e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[4.9865567115496425, -8.066202578039422e-37, 2.8369350565012193e-39], [2.342556316152856e-36, 4.986556711549642, -7.416240416219322e-19], [-9.680470126909256e-36, -3.8437771363878217e-19, 2.5841976614859994]])
forces =  [[-1.22928114e-31  4.73782111e-51 -3.18526954e-32]
 [-6.14640569e-32 -1.22928114e-31 -1.99079346e-32]
 [-3.21440658e-67 -4.30248398e-31  3.18526954e-32]
 [-6.14640569e-32  1.84392171e-31  1.59263477e-32]]
stress =  [-9.39527021e-12 -9.39527021e-12 -2.10416982e-12  4.83011912e-27
 -3.30780157e-47 -7.77221334e-63]
energy per atom =  -4.175684400852082
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0