element(s):
['C']
AFLOW prototype label:
A_cI16_229_f
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8764', '0.16261302']
model name:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.16261302 0.16261302 0.16261302]]
spacegroup =  229
cell =  [[4.8764, 0, 0], [0, 4.8764, 0], [0, 0, 4.8764]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:56:12      -91.675816         2.551926
BFGS:    1 15:56:12      -91.778643         2.493599
BFGS:    2 15:56:12      -92.227195         1.618613
BFGS:    3 15:56:12      -92.386155         1.479856
BFGS:    4 15:56:12      -92.583983         1.311933
BFGS:    5 15:56:12      -92.765674         1.158227
BFGS:    6 15:56:12      -92.932261         1.013160
BFGS:    7 15:56:12      -93.081869         0.874543
BFGS:    8 15:56:12      -93.212994         0.741301
BFGS:    9 15:56:12      -93.324833         0.612842
BFGS:   10 15:56:12      -93.417113         0.488822
BFGS:   11 15:56:12      -93.489884         0.369031
BFGS:   12 15:56:12      -93.543382         0.253610
BFGS:   13 15:56:12      -93.577926         0.157844
BFGS:   14 15:56:13      -93.593849         0.057959
BFGS:   15 15:56:13      -93.595083         0.015194
BFGS:   16 15:56:13      -93.595095         0.008250
BFGS:   17 15:56:13      -93.595101         0.000378
BFGS:   18 15:56:13      -93.595101         0.000047
BFGS:   19 15:56:13      -93.595101         0.000004
BFGS:   20 15:56:13      -93.595101         0.000000
BFGS:   21 15:56:13      -93.595101         0.000000
Minimization converged after 21 steps.
Maximum force component: 1.704148101670956e-10 eV/Angstrom
Maximum stress component: 3.657862791433177e-11 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 =  [[0.15957601 0.15957601 0.15957601]
 [0.84042399 0.84042399 0.15957601]
 [0.84042399 0.15957601 0.84042399]
 [0.15957601 0.84042399 0.84042399]
 [0.15957601 0.15957601 0.84042399]
 [0.84042399 0.84042399 0.84042399]
 [0.15957601 0.84042399 0.15957601]
 [0.84042399 0.15957601 0.15957601]
 [0.65957601 0.65957601 0.65957601]
 [0.34042399 0.34042399 0.65957601]
 [0.34042399 0.65957601 0.34042399]
 [0.65957601 0.34042399 0.34042399]
 [0.65957601 0.65957601 0.34042399]
 [0.34042399 0.34042399 0.34042399]
 [0.65957601 0.34042399 0.65957601]
 [0.34042399 0.65957601 0.65957601]]
cellpar =  Cell([[5.071826937807629, -5.075790598547937e-33, -1.0083093097098597e-33], [-2.115484112599858e-32, 5.071826937807629, 2.924752554552418e-17], [7.768065501660454e-34, 2.924752554552422e-17, 5.071826937807629]])
forces =  [[ 1.7041481e-10  1.7041481e-10  1.7041481e-10]
 [-1.7041481e-10 -1.7041481e-10  1.7041481e-10]
 [-1.7041481e-10  1.7041481e-10 -1.7041481e-10]
 [ 1.7041481e-10 -1.7041481e-10 -1.7041481e-10]
 [ 1.7041481e-10  1.7041481e-10 -1.7041481e-10]
 [-1.7041481e-10 -1.7041481e-10 -1.7041481e-10]
 [ 1.7041481e-10 -1.7041481e-10  1.7041481e-10]
 [-1.7041481e-10  1.7041481e-10  1.7041481e-10]
 [ 1.7041481e-10  1.7041481e-10  1.7041481e-10]
 [-1.7041481e-10 -1.7041481e-10  1.7041481e-10]
 [-1.7041481e-10  1.7041481e-10 -1.7041481e-10]
 [ 1.7041481e-10 -1.7041481e-10 -1.7041481e-10]
 [ 1.7041481e-10  1.7041481e-10 -1.7041481e-10]
 [-1.7041481e-10 -1.7041481e-10 -1.7041481e-10]
 [ 1.7041481e-10 -1.7041481e-10  1.7041481e-10]
 [-1.7041481e-10  1.7041481e-10  1.7041481e-10]]
stress =  [-3.65786279e-11 -3.65786279e-11 -3.65786279e-11 -7.43100690e-29
  6.60612246e-60  4.54829765e-59]
energy per atom =  -5.849693804219864
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0