element(s):
['C']
AFLOW prototype label:
A_cF16_227_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8232']
model name:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  227
cell =  [[4.8232, 0, 0], [0, 4.8232, 0], [0, 0, 4.8232]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:04:47      -40.958385         4.931800
BFGS:    1 16:04:47      -41.682259         4.720760
BFGS:    2 16:04:48      -42.374880         4.515064
BFGS:    3 16:04:48      -43.037040         4.314594
BFGS:    4 16:04:48      -43.669514         4.119238
BFGS:    5 16:04:48      -44.273061         3.928883
BFGS:    6 16:04:49      -44.848424         3.743420
BFGS:    7 16:04:49      -45.396327         3.562741
BFGS:    8 16:04:49      -45.917480         3.386744
BFGS:    9 16:04:50      -46.412579         3.215323
BFGS:   10 16:04:50      -46.882301         3.048380
BFGS:   11 16:04:50      -47.327312         2.885814
BFGS:   12 16:04:51      -47.748260         2.727531
BFGS:   13 16:04:51      -48.145780         2.573435
BFGS:   14 16:04:51      -48.520495         2.423434
BFGS:   15 16:04:52      -48.873011         2.277436
BFGS:   16 16:04:52      -49.203922         2.135354
BFGS:   17 16:04:53      -49.513808         1.997101
BFGS:   18 16:04:53      -49.803410         1.872643
BFGS:   19 16:04:53      -50.076848         1.768694
BFGS:   20 16:04:53      -50.332636         1.637113
BFGS:   21 16:04:54      -50.566547         1.476846
BFGS:   22 16:04:54      -50.774216         1.287117
BFGS:   23 16:04:54      -50.951184         1.067423
BFGS:   24 16:04:54      -51.092933         0.817533
BFGS:   25 16:04:55      -51.194935         0.537489
BFGS:   26 16:04:55      -51.252687         0.227593
BFGS:   27 16:04:55      -51.264337         0.018695
BFGS:   28 16:04:55      -51.264413         0.000548
BFGS:   29 16:04:55      -51.264413         0.000001
BFGS:   30 16:04:56      -51.264413         0.000000
Minimization converged after 30 steps.
Maximum force component: 1.5565089383459135e-30 eV/Angstrom
Maximum stress component: 9.975142577350827e-12 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 =  [[0.125 0.125 0.125]
 [0.875 0.375 0.625]
 [0.375 0.625 0.875]
 [0.625 0.875 0.375]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.125 0.625 0.625]
 [0.875 0.875 0.125]
 [0.375 0.125 0.375]
 [0.375 0.375 0.125]
 [0.875 0.125 0.875]
 [0.625 0.125 0.625]
 [0.125 0.875 0.875]
 [0.125 0.375 0.375]
 [0.625 0.625 0.125]]
cellpar =  Cell([[5.225338235466508, 1.0336708989798082e-33, -7.507286576610918e-33], [-4.414395321127272e-33, 5.225338235466508, 1.9069926064413365e-17], [1.3769642621260788e-32, 1.9069926064413316e-17, 5.225338235466508]])
forces =  [[-3.00567243e-31 -2.03956344e-31  1.07345444e-32]
 [-6.11869031e-31 -2.14690888e-31  1.93221799e-31]
 [ 8.58763552e-31 -1.03051626e-30 -6.87010842e-31]
 [ 5.47461765e-31  3.75709054e-31 -2.95199971e-31]
 [-2.95199971e-31  1.40622532e-30 -9.87578085e-31]
 [-1.19153443e-30 -5.36727220e-31  4.18647232e-31]
 [-3.86443598e-31  1.71752710e-31  2.57629066e-31]
 [-9.66108996e-32 -1.39549077e-31 -2.36159977e-31]
 [-1.20763625e-31  1.55650894e-30 -9.76843541e-31]
 [-2.57629066e-31 -3.75709054e-32 -9.31221727e-31]
 [-6.87010842e-31 -2.57629066e-31  4.29381776e-32]
 [ 2.14690888e-32  3.22036332e-32  5.79665398e-31]
 [-2.79098154e-31  2.25425432e-31 -1.93221799e-31]
 [-5.25992676e-31  3.22036332e-31  5.20625404e-31]
 [-8.15825375e-31  2.25425432e-31  2.87149063e-31]
 [-8.58763552e-32  2.57629066e-31  9.40219946e-49]]
stress =  [ 9.97514258e-12  9.97514258e-12  9.97514258e-12 -5.85366399e-27
 -7.58371935e-60 -3.43929380e-61]
energy per atom =  -3.2040257969201895
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0