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_2005_SiC__MO_903987585848_005
==== 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 16:54:43      -56.943674         8.114643
BFGS:    1 16:54:43      -57.700294         3.022867
BFGS:    2 16:54:43      -57.886348         1.680747
BFGS:    3 16:54:43      -57.966915         1.247964
BFGS:    4 16:54:43      -58.048143         1.175657
BFGS:    5 16:54:43      -58.124172         1.069969
BFGS:    6 16:54:43      -58.187287         0.955808
BFGS:    7 16:54:43      -58.238016         0.834973
BFGS:    8 16:54:43      -58.276520         0.708019
BFGS:    9 16:54:43      -58.304029         0.575280
BFGS:   10 16:54:43      -58.322816         0.502054
BFGS:   11 16:54:43      -58.336147         0.564063
BFGS:   12 16:54:43      -58.348160         0.553483
BFGS:   13 16:54:43      -58.362351         0.431116
BFGS:   14 16:54:43      -58.375057         0.252183
BFGS:   15 16:54:43      -58.379067         0.077026
BFGS:   16 16:54:43      -58.379430         0.012149
BFGS:   17 16:54:43      -58.379442         0.010358
BFGS:   18 16:54:43      -58.379444         0.008988
BFGS:   19 16:54:43      -58.379449         0.003668
BFGS:   20 16:54:43      -58.379451         0.002712
BFGS:   21 16:54:43      -58.379452         0.000981
BFGS:   22 16:54:43      -58.379452         0.000222
BFGS:   23 16:54:43      -58.379452         0.000041
BFGS:   24 16:54:44      -58.379452         0.000006
BFGS:   25 16:54:44      -58.379452         0.000001
BFGS:   26 16:54:44      -58.379452         0.000000
BFGS:   27 16:54:44      -58.379452         0.000000
BFGS:   28 16:54:44      -58.379452         0.000000
Minimization converged after 28 steps.
Maximum force component: 4.439056955352072e-09 eV/Angstrom
Maximum stress component: 9.387112897410262e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.92546908e-01 0.00000000e+00 6.55340468e-36]
 [4.07453092e-01 0.00000000e+00 0.00000000e+00]
 [9.25469080e-02 5.00000000e-01 1.38702020e-36]
 [9.07453092e-01 5.00000000e-01 0.00000000e+00]
 [6.92751896e-01 0.00000000e+00 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([[7.959118742803612, 1.4240693503478351e-36, 0.0], [1.288255460702996e-36, 2.5166412870484, 0.0], [0.0, 0.0, 2.559474531549352]])
forces =  [[ 4.43905696e-09  7.94249358e-46  6.30959186e-32]
 [-4.43905696e-09 -3.10199988e-32  0.00000000e+00]
 [ 4.43905696e-09  6.20399976e-32  6.30959186e-32]
 [-4.43905696e-09 -6.20399976e-32  0.00000000e+00]
 [ 6.28134877e-10  1.12387773e-46  0.00000000e+00]
 [-6.28134877e-10 -1.12387773e-46  0.00000000e+00]
 [ 6.28134877e-10  3.48974987e-32  7.88698983e-33]
 [-6.28134877e-10 -1.12387773e-46  0.00000000e+00]]
stress =  [ 2.16371724e-11  9.38711290e-11  6.19941503e-11  0.00000000e+00
  0.00000000e+00 -6.15366937e-34]
energy per atom =  -7.297431454684804
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0