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 16:43:42      -56.943674        8.1146
BFGS:    1 16:43:42      -57.700294        3.0229
BFGS:    2 16:43:42      -57.886348        1.6807
BFGS:    3 16:43:42      -57.966915        1.2480
BFGS:    4 16:43:42      -58.048143        1.1757
BFGS:    5 16:43:42      -58.124172        1.0700
BFGS:    6 16:43:42      -58.187287        0.9558
BFGS:    7 16:43:42      -58.238016        0.8350
BFGS:    8 16:43:42      -58.276520        0.7080
BFGS:    9 16:43:42      -58.304029        0.5753
BFGS:   10 16:43:42      -58.322816        0.5021
BFGS:   11 16:43:42      -58.336147        0.5641
BFGS:   12 16:43:42      -58.348160        0.5535
BFGS:   13 16:43:42      -58.362351        0.4311
BFGS:   14 16:43:42      -58.375057        0.2522
BFGS:   15 16:43:42      -58.379067        0.0770
BFGS:   16 16:43:42      -58.379430        0.0121
BFGS:   17 16:43:42      -58.379442        0.0104
BFGS:   18 16:43:42      -58.379444        0.0090
BFGS:   19 16:43:42      -58.379449        0.0037
BFGS:   20 16:43:42      -58.379451        0.0027
BFGS:   21 16:43:42      -58.379452        0.0010
BFGS:   22 16:43:42      -58.379452        0.0002
BFGS:   23 16:43:42      -58.379452        0.0000
BFGS:   24 16:43:42      -58.379452        0.0000
BFGS:   25 16:43:42      -58.379452        0.0000
BFGS:   26 16:43:42      -58.379452        0.0000
BFGS:   27 16:43:42      -58.379452        0.0000
BFGS:   28 16:43:42      -58.379452        0.0000
Minimization converged after 28 steps.
Maximum force component: 4.4390816023032195e-09 eV/Angstrom
Maximum stress component: 9.387135120673603e-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 0.00000000e+00]
 [4.07453092e-01 0.00000000e+00 0.00000000e+00]
 [9.25469080e-02 5.00000000e-01 0.00000000e+00]
 [9.07453092e-01 5.00000000e-01 0.00000000e+00]
 [6.92751896e-01 6.68332823e-38 5.00000000e-01]
 [3.07248104e-01 5.19467490e-37 5.00000000e-01]
 [1.92751896e-01 5.00000000e-01 5.00000000e-01]
 [8.07248104e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.95911874280361, 5.546637189004623e-37, 0.0], [4.556263388399875e-36, 2.5166412870484005, 0.0], [0.0, 0.0, 2.559474531549352]])
forces =  [[ 4.43908160e-09 -3.10199988e-32  0.00000000e+00]
 [-4.43908160e-09 -9.30599964e-32  3.15479593e-32]
 [ 4.43908160e-09 -1.08569996e-31  0.00000000e+00]
 [-4.43908160e-09 -9.30599964e-32  0.00000000e+00]
 [ 6.28094826e-10  6.20399976e-32  6.30959186e-32]
 [-6.28094826e-10  1.24079995e-31  0.00000000e+00]
 [ 6.28094826e-10  1.86119993e-31  5.52089288e-32]
 [-6.28094826e-10 -1.24079995e-31  0.00000000e+00]]
stress =  [ 2.16364101e-11  9.38713512e-11  6.19942301e-11  0.00000000e+00
  0.00000000e+00 -2.21801667e-47]
energy per atom =  -7.297431454684808
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0