element(s):
['Si']
AFLOW prototype label:
A_hP2_194_c
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:
['2.6864', '1.708383']
model name:
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.6864, 0, 0], [-1.3432, 2.3264906447265, 0], [0, 0, 4.5894]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:08:36       -7.785611        2.3209
BFGS:    1 15:08:36       -7.923876        1.3496
BFGS:    2 15:08:36       -8.001447        0.2798
BFGS:    3 15:08:36       -8.004988        0.1534
BFGS:    4 15:08:36       -8.005611        0.1474
BFGS:    5 15:08:36       -8.006224        0.0915
BFGS:    6 15:08:36       -8.006470        0.0268
BFGS:    7 15:08:36       -8.006507        0.0059
BFGS:    8 15:08:36       -8.006509        0.0005
BFGS:    9 15:08:36       -8.006509        0.0000
BFGS:   10 15:08:36       -8.006509        0.0000
BFGS:   11 15:08:36       -8.006509        0.0000
BFGS:   12 15:08:36       -8.006509        0.0000
Minimization converged after 12 steps.
Maximum force component: 1.1202977115428935e-32 eV/Angstrom
Maximum stress component: 1.630202161838922e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.814637881419962, 2.842829040450452e-18, 1.7696691715808452e-37], [-1.407318940709981, 2.4375479077636997, -9.199952786746016e-37], [-6.014683560983812e-36, -6.74785594154859e-35, 4.653422699804149]])
forces =  [[-1.12029771e-32  5.00751627e-33 -7.16973290e-33]
 [ 1.01188180e-32 -7.51127441e-33  3.19850194e-69]]
stress =  [-1.63020216e-11 -1.63020216e-11 -5.83100139e-12  2.37458823e-48
  6.26963767e-47  2.75097141e-28]
energy per atom =  -4.003254625057037
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0