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:
Tersoff_LAMMPS_Tersoff_1994_SiC__MO_794973922560_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 16:43:39      -40.961831        4.9300
BFGS:    1 16:43:40      -41.685445        4.7191
BFGS:    2 16:43:40      -42.377824        4.5135
BFGS:    3 16:43:40      -43.039760        4.3132
BFGS:    4 16:43:40      -43.672028        4.1179
BFGS:    5 16:43:40      -44.275384        3.9277
BFGS:    6 16:43:40      -44.850569        3.7423
BFGS:    7 16:43:40      -45.398309        3.5617
BFGS:    8 16:43:40      -45.919311        3.3858
BFGS:    9 16:43:40      -46.414270        3.2144
BFGS:   10 16:43:40      -46.883863        3.0476
BFGS:   11 16:43:40      -47.328753        2.8850
BFGS:   12 16:43:40      -47.749591        2.7268
BFGS:   13 16:43:40      -48.147009        2.5728
BFGS:   14 16:43:40      -48.521630        2.4228
BFGS:   15 16:43:40      -48.874058        2.2769
BFGS:   16 16:43:40      -49.204888        2.1348
BFGS:   17 16:43:40      -49.514701        1.9966
BFGS:   18 16:43:40      -49.804233        1.8722
BFGS:   19 16:43:40      -50.077608        1.7683
BFGS:   20 16:43:40      -50.333338        1.6367
BFGS:   21 16:43:40      -50.567194        1.4765
BFGS:   22 16:43:40      -50.774814        1.2868
BFGS:   23 16:43:40      -50.951734        1.0671
BFGS:   24 16:43:40      -51.093441        0.8173
BFGS:   25 16:43:40      -51.195404        0.5372
BFGS:   26 16:43:40      -51.253118        0.2274
BFGS:   27 16:43:40      -51.264745        0.0187
BFGS:   28 16:43:40      -51.264821        0.0005
BFGS:   29 16:43:40      -51.264821        0.0000
BFGS:   30 16:43:40      -51.264821        0.0000
Minimization converged after 30 steps.
Maximum force component: 2.919790621289711e-30 eV/Angstrom
Maximum stress component: 9.922481957863445e-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([[5.225328470991045, -6.422228914678209e-33, 4.726232640874657e-33], [6.203922200970115e-33, 5.225328470991045, -1.5615550362752866e-17], [-1.420293280434168e-32, -1.561555036275284e-17, 5.225328470991045]])
forces =  [[ 5.15257168e-31  8.58761947e-31 -2.56635358e-48]
 [-1.54577151e-30 -1.71752389e-31 -8.58761947e-31]
 [ 2.40453345e-30 -6.67251931e-48  2.23278106e-30]
 [ 6.87009558e-31  5.15257168e-31 -3.43504779e-31]
 [-2.31865726e-30  1.28814292e-30 -3.84953037e-48]
 [-2.40453345e-30 -2.40453345e-30 -3.43504779e-31]
 [ 1.71752389e-30  1.71752389e-31  6.87009558e-31]
 [ 3.43504779e-31 -8.58761947e-32  8.58761947e-32]
 [-2.06102867e-30  1.37401912e-30 -3.43504779e-31]
 [-1.71752389e-31 -3.43504779e-31  1.71752389e-30]
 [-1.20226673e-30  1.71752389e-31 -1.03051434e-30]
 [ 1.71752389e-31  1.71752389e-31 -2.23278106e-30]
 [ 5.15257168e-31  6.87009558e-31  1.71752389e-31]
 [ 2.91979062e-30  1.54577151e-30  5.15257168e-31]
 [-5.15257168e-31  2.91979062e-30 -1.03051434e-30]
 [ 3.43504779e-31  1.71752389e-31 -5.13270716e-49]]
stress =  [ 9.92248196e-12  9.92248196e-12  9.92248196e-12  4.43580390e-27
 -1.88097068e-35 -6.30808193e-51]
energy per atom =  -3.204051314560598
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0