element(s):
['C']
AFLOW prototype label:
A_oC8_65_gh
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.8193', '0.34531224', '0.32109012', '0.5860263', '0.68934767']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.5860263  0.         0.        ]
 [0.68934767 0.         0.5       ]]
spacegroup =  65
cell =  [[7.8193, 0, 0], [0, 2.7001, 0], [0, 0, 2.5107]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:53:24      -56.943674         8.114643
BFGS:    1 15:53:24      -57.700294         3.022867
BFGS:    2 15:53:24      -57.886348         1.680747
BFGS:    3 15:53:24      -57.966914         1.247964
BFGS:    4 15:53:24      -58.048143         1.175657
BFGS:    5 15:53:24      -58.124171         1.069969
BFGS:    6 15:53:24      -58.187286         0.955808
BFGS:    7 15:53:24      -58.238015         0.834973
BFGS:    8 15:53:24      -58.276519         0.708019
BFGS:    9 15:53:24      -58.304029         0.575280
BFGS:   10 15:53:24      -58.322816         0.502054
BFGS:   11 15:53:24      -58.336146         0.564063
BFGS:   12 15:53:24      -58.348160         0.553483
BFGS:   13 15:53:24      -58.362351         0.431116
BFGS:   14 15:53:24      -58.375056         0.252183
BFGS:   15 15:53:24      -58.379066         0.077026
BFGS:   16 15:53:24      -58.379429         0.012149
BFGS:   17 15:53:24      -58.379441         0.010358
BFGS:   18 15:53:24      -58.379443         0.008988
BFGS:   19 15:53:24      -58.379448         0.003668
BFGS:   20 15:53:24      -58.379450         0.002712
BFGS:   21 15:53:24      -58.379451         0.000981
BFGS:   22 15:53:24      -58.379451         0.000222
BFGS:   23 15:53:24      -58.379451         0.000041
BFGS:   24 15:53:24      -58.379451         0.000006
BFGS:   25 15:53:24      -58.379451         0.000001
BFGS:   26 15:53:24      -58.379451         0.000000
BFGS:   27 15:53:24      -58.379451         0.000000
BFGS:   28 15:53:24      -58.379451         0.000000
Minimization converged after 28 steps.
Maximum force component: 4.4390079014662026e-09 eV/Angstrom
Maximum stress component: 9.387177525305858e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.92546908e-01 1.41059299e-34 0.00000000e+00]
 [4.07453092e-01 0.00000000e+00 1.16078116e-35]
 [9.25469080e-02 5.00000000e-01 0.00000000e+00]
 [9.07453092e-01 5.00000000e-01 1.54246899e-36]
 [6.92751896e-01 2.72714671e-36 5.00000000e-01]
 [3.07248104e-01 0.00000000e+00 5.00000000e-01]
 [1.92751896e-01 5.00000000e-01 5.00000000e-01]
 [8.07248104e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.95911875231399, 3.1711843742579916e-36, 0.0], [6.7430830340596576e-37, 2.516641289988315, 0.0], [0.0, 0.0, 2.559474534604374]])
forces =  [[ 4.43900790e-09  7.75499971e-33  0.00000000e+00]
 [-4.43900790e-09  9.69374964e-33  0.00000000e+00]
 [ 4.43900790e-09  9.69374964e-33 -9.85873730e-34]
 [-4.43900790e-09  1.55099994e-32  0.00000000e+00]
 [ 6.28222002e-10 -6.20399977e-32  0.00000000e+00]
 [-6.28222002e-10  6.20399977e-32  0.00000000e+00]
 [ 6.28222002e-10  2.50305073e-46  0.00000000e+00]
 [-6.28222002e-10  3.10199988e-32  0.00000000e+00]]
stress =  [2.16351627e-11 9.38717753e-11 6.19859345e-11 0.00000000e+00
 0.00000000e+00 6.15366936e-34]
energy per atom =  -7.2974313739703724
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0