element(s):
['C']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5124', '1.6642254', '0.062750617']
model name:
Tersoff_LAMMPS_Tersoff_1988_C__MO_579868029681_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.06275062]]
spacegroup =  194
cell =  [[2.5124, 0, 0], [-1.2562, 2.175802224468, 0], [0, 0, 4.1812]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:31:38      -29.458299         0.693607
BFGS:    1 14:31:38      -29.465358         0.573686
BFGS:    2 14:31:38      -29.481872         0.094080
BFGS:    3 14:31:38      -29.482056         0.004774
BFGS:    4 14:31:38      -29.482056         0.002183
BFGS:    5 14:31:38      -29.482057         0.001696
BFGS:    6 14:31:38      -29.482057         0.000889
BFGS:    7 14:31:38      -29.482057         0.000269
BFGS:    8 14:31:38      -29.482057         0.000014
BFGS:    9 14:31:38      -29.482057         0.000001
BFGS:   10 14:31:38      -29.482057         0.000000
BFGS:   11 14:31:38      -29.482057         0.000000
Minimization converged after 11 steps.
Maximum force component: 5.752647836969442e-10 eV/Angstrom
Maximum stress component: 4.416932573100856e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.33333333 0.66666667 0.0625    ]
 [0.66666666 0.33333334 0.5625    ]
 [0.66666666 0.33333334 0.9375    ]
 [0.33333333 0.66666667 0.4375    ]]
cellpar =  Cell([[2.521278715210253, 4.44408297741006e-19, 1.5262364394082233e-38], [-1.2606393576051265, 2.183491417393071, -2.6673980297861243e-42], [6.245545370018299e-38, 3.6587016020621386e-38, 4.117230901094801]])
forces =  [[-1.95186992e-47  5.74157005e-31 -5.75264784e-10]
 [ 4.97234552e-31  2.87078503e-31 -5.75264784e-10]
 [ 1.95186992e-47 -5.74157005e-31  5.75264784e-10]
 [-4.97234552e-31 -2.87078503e-31  5.75264784e-10]]
stress =  [-4.41693257e-11 -4.41693257e-11 -1.32920129e-11  4.28463438e-33
 -5.24431781e-33 -1.52988450e-26]
energy per atom =  -7.370514209744437
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0