element(s):
['Si']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.657', '0.10135586']
model name:
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.10135586 0.10135586 0.10135586]]
spacegroup =  206
cell =  [[6.657, 0, 0], [0, 6.657, 0], [0, 0, 6.657]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:40:27      -66.428097        5.4758
BFGS:    1 17:40:28      -69.749886        0.8281
BFGS:    2 17:40:28      -69.763869        0.6092
BFGS:    3 17:40:28      -69.787332        0.4291
BFGS:    4 17:40:28      -69.821375        0.4735
BFGS:    5 17:40:28      -69.853365        0.3456
BFGS:    6 17:40:28      -69.864510        0.1852
BFGS:    7 17:40:28      -69.866083        0.0368
BFGS:    8 17:40:28      -69.866149        0.0024
BFGS:    9 17:40:28      -69.866150        0.0002
BFGS:   10 17:40:28      -69.866150        0.0000
BFGS:   11 17:40:28      -69.866150        0.0000
BFGS:   12 17:40:28      -69.866150        0.0000
Minimization converged after 12 steps.
Maximum force component: 6.25249218719204e-10 eV/Angstrom
Maximum stress component: 1.1035535174309909e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.09769852 0.09769852 0.09769852]
 [0.40230148 0.90230148 0.59769852]
 [0.90230148 0.59769852 0.40230148]
 [0.59769852 0.40230148 0.90230148]
 [0.59769852 0.59769852 0.59769852]
 [0.90230148 0.40230148 0.09769852]
 [0.40230148 0.09769852 0.90230148]
 [0.09769852 0.90230148 0.40230148]
 [0.90230148 0.90230148 0.90230148]
 [0.59769852 0.09769852 0.40230148]
 [0.09769852 0.40230148 0.59769852]
 [0.40230148 0.59769852 0.09769852]
 [0.40230148 0.40230148 0.40230148]
 [0.09769852 0.59769852 0.90230148]
 [0.59769852 0.90230148 0.09769852]
 [0.90230148 0.09769852 0.59769852]]
cellpar =  Cell([[6.719477252467734, 4.333851175958399e-37, 0.0], [4.8757954897830385e-37, 6.719477252467734, 0.0], [0.0, 0.0, 6.719477252467734]])
forces =  [[ 6.25249219e-10  6.25249219e-10  6.25249219e-10]
 [-6.25249219e-10 -6.25249219e-10  6.25249219e-10]
 [-6.25249219e-10  6.25249219e-10 -6.25249219e-10]
 [ 6.25249219e-10 -6.25249219e-10 -6.25249219e-10]
 [ 6.25249219e-10  6.25249219e-10  6.25249219e-10]
 [-6.25249219e-10 -6.25249219e-10  6.25249219e-10]
 [-6.25249219e-10  6.25249219e-10 -6.25249219e-10]
 [ 6.25249219e-10 -6.25249219e-10 -6.25249219e-10]
 [-6.25249219e-10 -6.25249219e-10 -6.25249219e-10]
 [ 6.25249219e-10  6.25249219e-10 -6.25249219e-10]
 [ 6.25249219e-10 -6.25249219e-10  6.25249219e-10]
 [-6.25249219e-10  6.25249219e-10  6.25249219e-10]
 [-6.25249219e-10 -6.25249219e-10 -6.25249219e-10]
 [ 6.25249219e-10  6.25249219e-10 -6.25249219e-10]
 [ 6.25249219e-10 -6.25249219e-10  6.25249219e-10]
 [-6.25249219e-10  6.25249219e-10  6.25249219e-10]]
stress =  [-1.10355352e-11 -1.10355352e-11 -1.10355352e-11  0.00000000e+00
  0.00000000e+00  1.37521957e-64]
energy per atom =  -4.366634386285323
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0