element(s):
['Si']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.868']
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 =  225
cell =  [[3.868, 0, 0], [0, 3.868, 0], [0, 0, 3.868]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:17:07      -15.814449        1.7111
BFGS:    1 17:17:07      -15.926125        1.3387
BFGS:    2 17:17:07      -16.074133        0.6507
BFGS:    3 17:17:07      -16.125310        0.0835
BFGS:    4 17:17:07      -16.126246        0.0063
BFGS:    5 17:17:07      -16.126252        0.0001
BFGS:    6 17:17:07      -16.126252        0.0000
BFGS:    7 17:17:07      -16.126252        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.5673757462461994e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.82324807e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.41162403e-34]]
cellpar =  Cell([[3.9930144935049157, 5.61575765178546e-33, -1.3949773175508179e-32], [-5.304096083226013e-33, 3.9930144935049157, -3.0051419185616904e-18], [-6.427728630556369e-34, -3.0051419185616846e-18, 3.9930144935049157]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.56737575e-14 -3.56737575e-14 -3.56737575e-14 -8.25095013e-30
  5.10900203e-64  2.67131480e-64]
energy per atom =  -4.031562884438925
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0