element(s):
['Si']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4673']
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 =  227
cell =  [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:43:37      -37.019590         0.232427
BFGS:    1 15:43:37      -37.021833         0.217945
BFGS:    2 15:43:37      -37.037786         0.007473
BFGS:    3 15:43:37      -37.037804         0.000228
BFGS:    4 15:43:37      -37.037804         0.000000
BFGS:    5 15:43:37      -37.037804         0.000000
Minimization converged after 5 steps.
Maximum force component: 5.579525828646765e-32 eV/Angstrom
Maximum stress component: 3.47489186860036e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[7.44692912e-33 1.54074396e-33 7.07889547e-33]
 [3.46667390e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.43197895603685, 5.674153184569797e-34, -3.8087076602541893e-35], [-3.782650843286122e-34, 5.43197895603685, -1.7632593840444227e-19], [3.490763207390755e-36, -1.7632593840444514e-19, 5.43197895603685]])
forces =  [[ 1.53436960e-32 -1.25539331e-32  3.13848328e-33]
 [-3.06873921e-32 -2.78976291e-33  1.88308997e-32]
 [ 9.57903473e-68 -1.39488146e-33 -2.09232219e-33]
 [ 1.39488146e-32 -4.46362066e-32  3.69643586e-32]
 [-1.81334589e-32 -1.39488146e-33  4.11490030e-32]
 [-2.78976291e-33  6.97440729e-33 -2.26394270e-52]
 [ 8.36928874e-33  5.57952583e-32  2.37129848e-32]
 [-1.25539331e-32 -2.78976291e-33  6.97440729e-33]]
stress =  [-3.47489187e-13 -3.47489187e-13 -3.47489187e-13 -2.05259079e-30
 -2.61086442e-35 -4.11358858e-52]
energy per atom =  -4.629725503248426
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0