element(s):
['Si']
AFLOW prototype label:
A_tI4_141_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:
['4.8146', '0.54949529']
model name:
Tersoff_LAMMPS_Tersoff_1989_SiC__MO_171585019474_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[4.8146, 0, 0], [0, 4.8146, 0], [0, 0, 2.6456]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:27:12      -17.109879         0.880154
BFGS:    1 17:27:12      -17.129483         0.803362
BFGS:    2 17:27:12      -17.185452         0.457789
BFGS:    3 17:27:12      -17.206776         0.045216
BFGS:    4 17:27:12      -17.206959         0.002257
BFGS:    5 17:27:12      -17.206959         0.000264
BFGS:    6 17:27:12      -17.206959         0.000226
BFGS:    7 17:27:12      -17.206959         0.000000
Minimization converged after 7 steps.
Maximum force component: 3.39980815026752e-32 eV/Angstrom
Maximum stress component: 5.079184997666907e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[4.60542386e-35 5.87747175e-39 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 3.29919775e-33 7.50000000e-01]]
cellpar =  Cell([[4.903559216181986, 7.86454845802157e-39, -1.2079505897376147e-52], [1.0125649448947127e-36, 4.903559216181986, -7.657025534879228e-18], [-6.885593130588765e-53, -4.100703366846563e-18, 2.5678285290190894]])
forces =  [[-1.51102584e-32 -5.66634692e-33 -8.90182414e-33]
 [-6.61073807e-33  6.61073807e-33  6.92364100e-33]
 [-1.51102584e-32  3.39980815e-32 -5.30888211e-50]
 [-7.55512922e-33 -1.51102584e-32 -1.97818314e-33]]
stress =  [-5.07918500e-10 -5.07918500e-10 -2.73109117e-10 -3.14668025e-26
 -3.05909552e-35 -3.43374307e-51]
energy per atom =  -4.301739852203321
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0