element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
Tersoff_LAMMPS_Tersoff_1989_SiC__MO_171585019474_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:49:40      -55.700475         2.876308
BFGS:    1 10:49:40      -55.669563         3.252820
BFGS:    2 10:49:40      -55.940808         0.427594
BFGS:    3 10:49:40      -55.944079         0.390804
BFGS:    4 10:49:40      -55.954931         0.201479
BFGS:    5 10:49:40      -55.957714         0.129832
BFGS:    6 10:49:40      -55.958304         0.024790
BFGS:    7 10:49:40      -55.958335         0.016811
BFGS:    8 10:49:41      -55.958350         0.015136
BFGS:    9 10:49:41      -55.958378         0.016270
BFGS:   10 10:49:41      -55.958397         0.012802
BFGS:   11 10:49:41      -55.958403         0.004079
BFGS:   12 10:49:41      -55.958403         0.000437
BFGS:   13 10:49:41      -55.958403         0.000023
BFGS:   14 10:49:41      -55.958403         0.000002
BFGS:   15 10:49:41      -55.958403         0.000000
BFGS:   16 10:49:41      -55.958403         0.000000
Minimization converged after 16 steps.
Maximum force component: 3.163048383183012e-10 eV/Angstrom
Maximum stress component: 4.5964182617885997e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.16473620e-01 8.16473620e-01 1.51925469e-34]
 [1.83526380e-01 1.83526380e-01 1.89906836e-35]
 [1.83526380e-01 8.16473620e-01 2.27888203e-34]
 [8.16473620e-01 1.83526380e-01 1.89906836e-35]
 [3.16473620e-01 3.16473620e-01 5.00000000e-01]
 [6.83526380e-01 6.83526380e-01 5.00000000e-01]
 [6.83526380e-01 3.16473620e-01 5.00000000e-01]
 [3.16473620e-01 6.83526380e-01 5.00000000e-01]]
cellpar =  Cell([[4.395422788374498, -2.2023123604056882e-35, 1.914095292963235e-32], [-1.8564415901509753e-36, 4.395422788374497, 1.6359400781984403e-18], [-5.6528460947119704e-33, 9.424172879781055e-19, 2.535361526356059]])
forces =  [[ 3.16304838e-10  3.16304838e-10  1.17804177e-28]
 [-3.16304838e-10 -3.16304838e-10 -1.17679174e-28]
 [-3.16304838e-10  3.16304838e-10  1.17663548e-28]
 [ 3.16304838e-10 -3.16304838e-10 -1.17663548e-28]
 [ 3.16304838e-10  3.16304838e-10  1.17694799e-28]
 [-3.16304838e-10 -3.16304838e-10 -1.17723608e-28]
 [-3.16304838e-10  3.16304838e-10  1.17671361e-28]
 [ 3.16304838e-10 -3.16304838e-10 -1.17669408e-28]]
stress =  [-2.30311893e-11 -2.30311893e-11  4.59641826e-11  1.02422857e-26
 -8.54480922e-44 -9.84100942e-60]
energy per atom =  -6.994800412465689
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0