element(s):
['Si']
AFLOW prototype label:
A_hP1_191_a
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:
['2.6513', '0.93471127']
model name:
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  191
cell =  [[2.6513, 0, 0], [-1.32565, 2.2960931530537, 0], [0, 0, 2.4782]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:40:38       -4.020300        2.6162
BFGS:    1 14:40:38       -4.086231        0.8819
BFGS:    2 14:40:38       -4.096732        0.2180
BFGS:    3 14:40:38       -4.097483        0.0295
BFGS:    4 14:40:38       -4.097501        0.0048
BFGS:    5 14:40:38       -4.097501        0.0012
BFGS:    6 14:40:38       -4.097501        0.0001
BFGS:    7 14:40:38       -4.097501        0.0000
BFGS:    8 14:40:38       -4.097501        0.0000
BFGS:    9 14:40:38       -4.097501        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.926572101434556e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.671597246851069, -4.758403988148754e-18, 2.410535555119122e-37], [-1.3357986234255346, 2.3136710844535933, 2.2163998878592e-36], [-4.919145072207104e-37, 7.069160615229795e-36, 2.635541905714356]])
forces =  [[0. 0. 0.]]
stress =  [-1.92657210e-10 -1.92657210e-10 -4.43510332e-11  2.96203256e-46
 -1.23875888e-46 -4.98657705e-26]
energy per atom =  -4.097501193127987
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0