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 16:32:25     -113.789486        2.3983
BFGS:    1 16:32:25     -113.955463        1.3008
BFGS:    2 16:32:25     -114.058978        0.4632
BFGS:    3 16:32:25     -114.065671        0.4366
BFGS:    4 16:32:25     -114.080548        0.3444
BFGS:    5 16:32:25     -114.095482        0.2739
BFGS:    6 16:32:25     -114.111532        0.2349
BFGS:    7 16:32:25     -114.120335        0.0868
BFGS:    8 16:32:25     -114.121259        0.0432
BFGS:    9 16:32:25     -114.121385        0.0338
BFGS:   10 16:32:25     -114.121435        0.0335
BFGS:   11 16:32:25     -114.121597        0.0279
BFGS:   12 16:32:25     -114.121757        0.0175
BFGS:   13 16:32:25     -114.121862        0.0090
BFGS:   14 16:32:25     -114.121883        0.0028
BFGS:   15 16:32:25     -114.121884        0.0027
BFGS:   16 16:32:25     -114.121884        0.0027
BFGS:   17 16:32:25     -114.121885        0.0024
BFGS:   18 16:32:25     -114.121885        0.0016
BFGS:   19 16:32:25     -114.121886        0.0008
BFGS:   20 16:32:25     -114.121886        0.0003
BFGS:   21 16:32:25     -114.121886        0.0000
BFGS:   22 16:32:25     -114.121886        0.0000
BFGS:   23 16:32:25     -114.121886        0.0000
BFGS:   24 16:32:25     -114.121886        0.0000
Minimization converged after 24 steps.
Maximum force component: 2.5950824336651306e-09 eV/Angstrom
Maximum stress component: 1.2933935386763314e-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 0.00000000e+00]
 [8.16068325e-01 8.33533090e-01 0.00000000e+00]
 [8.16068325e-01 1.66466910e-01 1.42329121e-35]
 [1.83931675e-01 8.33533090e-01 1.00211180e-36]
 [6.83931675e-01 6.66466910e-01 1.70649795e-36]
 [3.16068325e-01 3.33533090e-01 0.00000000e+00]
 [3.16068325e-01 6.66466910e-01 1.40176037e-35]
 [6.83931675e-01 3.33533090e-01 1.17549435e-37]
 [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([[4.2159510827891244, -8.010705876421568e-38, 0.0], [-7.087868346439067e-36, 8.799937374885037, 0.0], [0.0, 0.0, 2.5396958042515507]])
forces =  [[-8.74809565e-11  2.59508243e-09  3.91302096e-32]
 [ 8.74809565e-11 -2.59508243e-09  0.00000000e+00]
 [ 8.74809565e-11  2.59508243e-09 -1.25216671e-31]
 [-8.74809565e-11 -2.59508243e-09 -6.26083353e-32]
 [-8.74809565e-11  2.59508243e-09  0.00000000e+00]
 [ 8.74809565e-11 -2.59508243e-09  6.26083353e-32]
 [ 8.74809565e-11  2.59508243e-09 -1.25216671e-31]
 [-8.74809565e-11 -2.59508243e-09  0.00000000e+00]
 [ 1.78829357e-09 -3.50630401e-10 -2.77824488e-31]
 [-1.78829357e-09  3.50630401e-10  1.25216671e-31]
 [-1.78829357e-09 -3.50630401e-10 -1.25216671e-31]
 [ 1.78829357e-09  3.50630401e-10  2.50433341e-31]
 [ 1.78829357e-09 -3.50630401e-10 -2.50433341e-31]
 [-1.78829357e-09  3.50630401e-10  1.25216671e-31]
 [-1.78829357e-09 -3.50630401e-10 -1.25216671e-31]
 [ 1.78829357e-09  3.50630401e-10  2.50433341e-31]]
stress =  [-6.66703928e-10  2.51941405e-10 -1.29339354e-09  0.00000000e+00
  0.00000000e+00 -5.31575918e-33]
energy per atom =  -7.132617878817614
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0