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:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== 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 16:43:14     -115.267334         0.512357
BFGS:    1 16:43:15     -115.299523         0.530466
BFGS:    2 16:43:15     -115.313284         0.497792
BFGS:    3 16:43:15     -115.326009         0.487724
BFGS:    4 16:43:15     -115.362809         0.432304
BFGS:    5 16:43:15     -115.394086         0.357471
BFGS:    6 16:43:15     -115.419351         0.305295
BFGS:    7 16:43:15     -115.437026         0.213098
BFGS:    8 16:43:15     -115.445581         0.087139
BFGS:    9 16:43:15     -115.446280         0.064021
BFGS:   10 16:43:15     -115.446404         0.063289
BFGS:   11 16:43:15     -115.446915         0.054577
BFGS:   12 16:43:15     -115.447266         0.065400
BFGS:   13 16:43:15     -115.447618         0.041850
BFGS:   14 16:43:15     -115.447709         0.018613
BFGS:   15 16:43:15     -115.447725         0.017105
BFGS:   16 16:43:16     -115.447731         0.015952
BFGS:   17 16:43:16     -115.447748         0.012291
BFGS:   18 16:43:16     -115.447770         0.012445
BFGS:   19 16:43:16     -115.447792         0.009033
BFGS:   20 16:43:16     -115.447799         0.002923
BFGS:   21 16:43:16     -115.447800         0.000343
BFGS:   22 16:43:16     -115.447800         0.000040
BFGS:   23 16:43:16     -115.447800         0.000018
BFGS:   24 16:43:16     -115.447800         0.000002
BFGS:   25 16:43:16     -115.447800         0.000000
BFGS:   26 16:43:16     -115.447800         0.000000
Minimization converged after 26 steps.
Maximum force component: 1.2867765464275042e-09 eV/Angstrom
Maximum stress component: 2.756088512933655e-10 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 =  [[1.85806107e-01 1.67566696e-01 2.62400752e-35]
 [8.14193893e-01 8.32433304e-01 0.00000000e+00]
 [8.14193893e-01 1.67566696e-01 1.70073829e-35]
 [1.85806107e-01 8.32433304e-01 0.00000000e+00]
 [6.85806107e-01 6.67566696e-01 2.48618433e-35]
 [3.14193893e-01 3.32433304e-01 0.00000000e+00]
 [3.14193893e-01 6.67566696e-01 1.54457203e-35]
 [6.85806107e-01 3.32433304e-01 0.00000000e+00]
 [1.87737980e-01 4.10297665e-01 5.00000000e-01]
 [8.12262020e-01 5.89702335e-01 5.00000000e-01]
 [8.12262020e-01 4.10297665e-01 5.00000000e-01]
 [1.87737980e-01 5.89702335e-01 5.00000000e-01]
 [6.87737980e-01 9.10297665e-01 5.00000000e-01]
 [3.12262020e-01 8.97023349e-02 5.00000000e-01]
 [3.12262020e-01 9.10297665e-01 5.00000000e-01]
 [6.87737980e-01 8.97023349e-02 5.00000000e-01]]
cellpar =  Cell([[4.168376940803868, -5.1502713929717866e-39, 0.0], [1.1641478402059423e-36, 8.806972626092527, 0.0], [0.0, 0.0, 2.5522425347516418]])
forces =  [[ 8.20456592e-10  1.05774144e-09  0.00000000e+00]
 [-8.20456592e-10 -1.05774144e-09 -2.51670545e-31]
 [-8.20456592e-10  1.05774144e-09  2.51670545e-31]
 [ 8.20456592e-10 -1.05774144e-09  0.00000000e+00]
 [ 8.20456592e-10  1.05774144e-09  6.29176361e-32]
 [-8.20456592e-10 -1.05774144e-09 -2.51670545e-31]
 [-8.20456592e-10  1.05774144e-09  2.51670545e-31]
 [ 8.20456592e-10 -1.05774144e-09 -1.25835272e-31]
 [ 1.28677655e-09 -1.12660814e-09 -2.51670545e-31]
 [-1.28677655e-09  1.12660814e-09 -1.88752908e-31]
 [-1.28677655e-09 -1.12660814e-09  2.51670545e-31]
 [ 1.28677655e-09  1.12660814e-09 -2.51670545e-31]
 [ 1.28677655e-09 -1.12660814e-09 -5.03341089e-31]
 [-1.28677655e-09  1.12660814e-09  3.77505817e-31]
 [-1.28677655e-09 -1.12660814e-09 -3.77505817e-31]
 [ 1.28677655e-09  1.12660814e-09  3.77505817e-31]]
stress =  [-2.75608851e-10 -6.58040526e-11  1.03559076e-10  0.00000000e+00
  0.00000000e+00  5.37213368e-33]
energy per atom =  -7.215487524266924
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0