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 17:18:50      -55.700475        2.8763
BFGS:    1 17:18:50      -55.669563        3.2528
BFGS:    2 17:18:50      -55.940808        0.4276
BFGS:    3 17:18:50      -55.944079        0.3908
BFGS:    4 17:18:50      -55.954931        0.2015
BFGS:    5 17:18:50      -55.957714        0.1298
BFGS:    6 17:18:50      -55.958304        0.0248
BFGS:    7 17:18:50      -55.958335        0.0168
BFGS:    8 17:18:50      -55.958350        0.0151
BFGS:    9 17:18:50      -55.958378        0.0163
BFGS:   10 17:18:50      -55.958397        0.0128
BFGS:   11 17:18:50      -55.958403        0.0041
BFGS:   12 17:18:50      -55.958403        0.0004
BFGS:   13 17:18:50      -55.958403        0.0000
BFGS:   14 17:18:50      -55.958403        0.0000
BFGS:   15 17:18:50      -55.958403        0.0000
BFGS:   16 17:18:50      -55.958403        0.0000
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