element(s):
['C']
AFLOW prototype label:
A_hP4_194_bc
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4677', '3.3769097']
model name:
Tersoff_LAMMPS_Tersoff_1988_C__MO_579868029681_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:23:32      -29.425633        1.6107
BFGS:    1 15:23:32      -29.490537        1.2131
BFGS:    2 15:23:32      -29.570960        0.4087
BFGS:    3 15:23:32      -29.582016        0.0297
BFGS:    4 15:23:32      -29.582076        0.0008
BFGS:    5 15:23:32      -29.582077        0.0000
BFGS:    6 15:23:32      -29.582077        0.0000
Minimization converged after 6 steps.
Maximum force component: 1.662970372561347e-31 eV/Angstrom
Maximum stress component: 8.603021978711408e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[3.99668079e-36 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 3.94572549e-36 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.529678469126985, 8.380663436694035e-19, -8.270171652743727e-43], [-1.2648392345634925, 2.1907658176704974, 3.644587633672658e-40], [1.9836342586776612e-37, -2.879822640469061e-36, 8.333199999999998]])
forces =  [[ 1.66297037e-31  5.50931479e-50 -5.43667925e-74]
 [-8.31485186e-32 -2.75465739e-50  2.71833962e-74]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-8.31485186e-32 -2.75465739e-50  2.71833962e-74]]
stress =  [-8.60302198e-12 -8.60302198e-12  1.46343872e-52  9.90248333e-33
 -1.55923675e-33  1.85716214e-27]
energy per atom =  -7.39551913224144
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0