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_Tersoff_1988_C__MO_579868029681_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 16:43:41      -57.222438        6.6969
BFGS:    1 16:43:41      -57.781159        2.4191
BFGS:    2 16:43:41      -57.929161        1.2724
BFGS:    3 16:43:41      -57.978136        1.2400
BFGS:    4 16:43:41      -58.071009        1.1338
BFGS:    5 16:43:41      -58.142063        1.0199
BFGS:    6 16:43:41      -58.197133        0.9006
BFGS:    7 16:43:41      -58.238903        0.7769
BFGS:    8 16:43:42      -58.269654        0.6493
BFGS:    9 16:43:42      -58.291694        0.5183
BFGS:   10 16:43:42      -58.307509        0.5547
BFGS:   11 16:43:42      -58.319885        0.6085
BFGS:   12 16:43:42      -58.331756        0.5936
BFGS:   13 16:43:42      -58.345395        0.4716
BFGS:   14 16:43:42      -58.357552        0.2143
BFGS:   15 16:43:42      -58.361636        0.0556
BFGS:   16 16:43:42      -58.362222        0.0099
BFGS:   17 16:43:42      -58.362242        0.0028
BFGS:   18 16:43:42      -58.362243        0.0022
BFGS:   19 16:43:42      -58.362243        0.0018
BFGS:   20 16:43:42      -58.362243        0.0012
BFGS:   21 16:43:42      -58.362243        0.0014
BFGS:   22 16:43:42      -58.362243        0.0007
BFGS:   23 16:43:42      -58.362243        0.0002
BFGS:   24 16:43:42      -58.362243        0.0000
BFGS:   25 16:43:42      -58.362243        0.0000
BFGS:   26 16:43:42      -58.362243        0.0000
BFGS:   27 16:43:42      -58.362243        0.0000
Minimization converged after 27 steps.
Maximum force component: 1.4416600691014025e-09 eV/Angstrom
Maximum stress component: 9.087153074212754e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.92103452e-01 5.99236370e-36 2.42836011e-35]
 [4.07896548e-01 5.34157988e-35 0.00000000e+00]
 [9.21034517e-02 5.00000000e-01 2.01025950e-35]
 [9.07896548e-01 5.00000000e-01 0.00000000e+00]
 [6.91659749e-01 0.00000000e+00 5.00000000e-01]
 [3.08340251e-01 0.00000000e+00 5.00000000e-01]
 [1.91659749e-01 5.00000000e-01 5.00000000e-01]
 [8.08340251e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.896097787255998, -3.700656587908302e-36, 0.0], [-2.4716743768570605e-36, 2.5140661928348202, 0.0], [0.0, 0.0, 2.556709899144035]])
forces =  [[ 1.44166007e-09  1.54941292e-32  0.00000000e+00]
 [-1.44166007e-09  6.75661444e-46  1.26055530e-31]
 [ 1.44166007e-09  1.54941292e-32 -7.87847065e-33]
 [-1.44166007e-09  6.75661444e-46  1.29994766e-31]
 [ 1.94149086e-10 -6.19765166e-32  0.00000000e+00]
 [-1.94149086e-10  6.19765166e-32  9.06024124e-32]
 [ 1.94149086e-10 -6.39132828e-32 -3.15138826e-32]
 [-1.94149086e-10  6.48816659e-32  6.30277652e-32]]
stress =  [-8.39032454e-10 -3.68026224e-10 -9.08715307e-10  0.00000000e+00
  0.00000000e+00  4.96730950e-33]
energy per atom =  -7.295280379688845
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0