element(s):
['C']
AFLOW prototype label:
A_oC16_65_pq
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y1', 'x2', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2547', '2.0610619', '0.59089948', '0.18519352', '0.16660457', '0.18446938', '0.41082374']
model name:
Tersoff_LAMMPS_Tersoff_1988_C__MO_579868029681_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.18519352 0.16660457 0.        ]
 [0.18446938 0.41082374 0.5       ]]
spacegroup =  65
cell =  [[4.2547, 0, 0], [0, 8.7692, 0], [0, 0, 2.5141]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:42:37     -113.789486         2.398286
BFGS:    1 15:42:37     -113.955463         1.300847
BFGS:    2 15:42:37     -114.058978         0.463199
BFGS:    3 15:42:37     -114.065671         0.436597
BFGS:    4 15:42:37     -114.080548         0.344442
BFGS:    5 15:42:37     -114.095482         0.273887
BFGS:    6 15:42:37     -114.111532         0.234946
BFGS:    7 15:42:37     -114.120335         0.086754
BFGS:    8 15:42:37     -114.121259         0.043155
BFGS:    9 15:42:37     -114.121385         0.033811
BFGS:   10 15:42:37     -114.121435         0.033480
BFGS:   11 15:42:37     -114.121597         0.027872
BFGS:   12 15:42:37     -114.121757         0.017473
BFGS:   13 15:42:37     -114.121862         0.009024
BFGS:   14 15:42:37     -114.121883         0.002768
BFGS:   15 15:42:37     -114.121884         0.002729
BFGS:   16 15:42:37     -114.121884         0.002679
BFGS:   17 15:42:37     -114.121885         0.002366
BFGS:   18 15:42:37     -114.121885         0.001617
BFGS:   19 15:42:37     -114.121886         0.000829
BFGS:   20 15:42:37     -114.121886         0.000310
BFGS:   21 15:42:37     -114.121886         0.000040
BFGS:   22 15:42:37     -114.121886         0.000006
BFGS:   23 15:42:37     -114.121886         0.000000
BFGS:   24 15:42:37     -114.121886         0.000000
Minimization converged after 24 steps.
Maximum force component: 2.5950929183338198e-09 eV/Angstrom
Maximum stress component: 1.2933979285619163e-09 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.83931675e-01 1.66466910e-01 4.04399903e-36]
 [8.16068325e-01 8.33533090e-01 0.00000000e+00]
 [8.16068325e-01 1.66466910e-01 2.93839149e-36]
 [1.83931675e-01 8.33533090e-01 0.00000000e+00]
 [6.83931675e-01 6.66466910e-01 3.69135073e-36]
 [3.16068325e-01 3.33533090e-01 0.00000000e+00]
 [3.16068325e-01 6.66466910e-01 1.90432381e-36]
 [6.83931675e-01 3.33533090e-01 0.00000000e+00]
 [1.89999391e-01 4.08803722e-01 5.00000000e-01]
 [8.10000609e-01 5.91196278e-01 5.00000000e-01]
 [8.10000609e-01 4.08803722e-01 5.00000000e-01]
 [1.89999391e-01 5.91196278e-01 5.00000000e-01]
 [6.89999391e-01 9.08803722e-01 5.00000000e-01]
 [3.10000609e-01 9.11962777e-02 5.00000000e-01]
 [3.10000609e-01 9.08803722e-01 5.00000000e-01]
 [6.89999391e-01 9.11962777e-02 5.00000000e-01]]
cellpar =  Cell([[4.215951082789122, 1.1442558570524766e-36, 0.0], [9.121715832880143e-37, 8.799937374885033, 0.0], [0.0, 0.0, 2.53969580425155]])
forces =  [[-8.74602335e-11  2.59509292e-09  5.00866683e-31]
 [ 8.74602335e-11 -2.59509292e-09 -7.51300024e-31]
 [ 8.74602335e-11  2.59509292e-09  7.51300024e-31]
 [-8.74602335e-11 -2.59509292e-09 -5.00866683e-31]
 [-8.74602335e-11  2.59509292e-09 -7.51300024e-31]
 [ 8.74602335e-11 -2.59509292e-09  5.00866683e-31]
 [ 8.74602335e-11  2.59509292e-09 -5.00866683e-31]
 [-8.74602335e-11 -2.59509292e-09  7.51300024e-31]
 [ 1.78827861e-09 -3.50625697e-10  2.50433341e-31]
 [-1.78827861e-09  3.50625697e-10 -2.50433341e-31]
 [-1.78827861e-09 -3.50625697e-10  2.19129174e-31]
 [ 1.78827861e-09  3.50625697e-10 -2.50433341e-31]
 [ 1.78827861e-09 -3.50625697e-10  2.50433341e-31]
 [-1.78827861e-09  3.50625697e-10 -5.00866683e-31]
 [-1.78827861e-09 -3.50625697e-10  0.00000000e+00]
 [ 1.78827861e-09  3.50625697e-10 -2.50433341e-31]]
stress =  [-6.66711365e-10  2.51934647e-10 -1.29339793e-09  0.00000000e+00
  0.00000000e+00  1.06315184e-32]
energy per atom =  -7.132617878817603
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0