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_1988T2_Si__MO_245095684871_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 17:30:59      -37.024348        0.2365
BFGS:    1 17:30:59      -37.026671        0.2219
BFGS:    2 17:30:59      -37.043295        0.0028
BFGS:    3 17:30:59      -37.043297        0.0001
BFGS:    4 17:30:59      -37.043297        0.0000
BFGS:    5 17:30:59      -37.043297        0.0000
Minimization converged after 5 steps.
Maximum force component: 2.23150291910709e-31 eV/Angstrom
Maximum stress component: 2.5841830112316194e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[1.15555797e-33 0.00000000e+00 0.00000000e+00]
 [1.66913929e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 1.28395330e-34 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([[5.431230748448926, 1.0144130383493156e-40, 2.752080407255284e-45], [-4.591303197077811e-38, 5.431230748448926, -4.221590189550367e-37], [-1.0630026980752673e-52, -4.22237920648182e-37, 5.431230748448926]])
forces =  [[ 3.34725438e-32 -1.28311418e-31 -8.92601168e-32]
 [-3.34725438e-32 -1.56205204e-31  6.13663303e-32]
 [ 6.69450876e-32  1.11575146e-31  1.11575146e-32]
 [ 5.57875730e-32 -1.00417631e-31  6.69450876e-32]
 [-2.23150292e-32 -4.46300584e-32 -4.32353691e-32]
 [ 1.81309612e-32  2.23150292e-31  3.34725438e-32]
 [ 2.64990972e-32 -1.39468932e-33  4.18406797e-33]
 [-1.11575146e-32 -8.36813595e-32 -3.34725438e-32]]
stress =  [-2.58418301e-14 -2.58418301e-14 -2.58418301e-14 -1.40077181e-34
 -1.39284470e-34 -2.86652195e-57]
energy per atom =  -4.630412163496892
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0