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 15:12:04       -7.785611         2.320913
BFGS:    1 15:12:04       -7.923876         1.349586
BFGS:    2 15:12:04       -8.001447         0.279831
BFGS:    3 15:12:04       -8.004988         0.153430
BFGS:    4 15:12:04       -8.005611         0.147430
BFGS:    5 15:12:04       -8.006224         0.091506
BFGS:    6 15:12:04       -8.006470         0.026750
BFGS:    7 15:12:04       -8.006507         0.005922
BFGS:    8 15:12:04       -8.006509         0.000469
BFGS:    9 15:12:04       -8.006509         0.000046
BFGS:   10 15:12:04       -8.006509         0.000001
BFGS:   11 15:12:04       -8.006509         0.000000
BFGS:   12 15:12:04       -8.006509         0.000000
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, 2.7753346934388135e-18, -1.751174552454811e-36], [-1.407318940709981, 2.4375479077636997, 1.6890154579379024e-36], [2.0694952407216765e-36, 6.0089404160351235e-36, 4.653422699804149]])
forces =  [[-1.12029771e-32  5.00751627e-33 -7.16973290e-33]
 [ 1.01188180e-32 -7.51127441e-33 -8.80216286e-69]]
stress =  [-1.63020216e-11 -1.63020216e-11 -5.83100139e-12 -1.81110465e-34
 -5.45966861e-48  2.84484901e-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