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 14:58:42      -40.961831         4.929993
BFGS:    1 14:58:42      -41.685445         4.719088
BFGS:    2 14:58:42      -42.377824         4.513517
BFGS:    3 14:58:42      -43.039760         4.313163
BFGS:    4 14:58:42      -43.672028         4.117913
BFGS:    5 14:58:42      -44.275384         3.927657
BFGS:    6 14:58:42      -44.850569         3.742286
BFGS:    7 14:58:42      -45.398309         3.561693
BFGS:    8 14:58:42      -45.919311         3.385774
BFGS:    9 14:58:42      -46.414270         3.214427
BFGS:   10 14:58:42      -46.883863         3.047551
BFGS:   11 14:58:42      -47.328753         2.885048
BFGS:   12 14:58:42      -47.749591         2.726823
BFGS:   13 14:58:42      -48.147009         2.572780
BFGS:   14 14:58:43      -48.521630         2.422829
BFGS:   15 14:58:43      -48.874058         2.276878
BFGS:   16 14:58:43      -49.204888         2.134838
BFGS:   17 14:58:43      -49.514701         1.996624
BFGS:   18 14:58:43      -49.804233         1.872203
BFGS:   19 14:58:43      -50.077608         1.768287
BFGS:   20 14:58:43      -50.333338         1.636737
BFGS:   21 14:58:43      -50.567194         1.476499
BFGS:   22 14:58:43      -50.774814         1.286796
BFGS:   23 14:58:43      -50.951734         1.067126
BFGS:   24 14:58:43      -51.093441         0.817259
BFGS:   25 14:58:43      -51.195404         0.537235
BFGS:   26 14:58:43      -51.253118         0.227358
BFGS:   27 14:58:43      -51.264745         0.018670
BFGS:   28 14:58:43      -51.264821         0.000546
BFGS:   29 14:58:43      -51.264821         0.000001
BFGS:   30 14:58:43      -51.264821         0.000000
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