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 15:05:25      -40.961831         4.929993
BFGS:    1 15:05:25      -41.685445         4.719088
BFGS:    2 15:05:25      -42.377824         4.513517
BFGS:    3 15:05:25      -43.039760         4.313163
BFGS:    4 15:05:25      -43.672028         4.117913
BFGS:    5 15:05:25      -44.275384         3.927657
BFGS:    6 15:05:25      -44.850569         3.742286
BFGS:    7 15:05:25      -45.398309         3.561693
BFGS:    8 15:05:25      -45.919311         3.385774
BFGS:    9 15:05:25      -46.414270         3.214427
BFGS:   10 15:05:25      -46.883863         3.047551
BFGS:   11 15:05:25      -47.328753         2.885048
BFGS:   12 15:05:25      -47.749591         2.726823
BFGS:   13 15:05:25      -48.147009         2.572780
BFGS:   14 15:05:25      -48.521630         2.422829
BFGS:   15 15:05:25      -48.874058         2.276878
BFGS:   16 15:05:25      -49.204888         2.134838
BFGS:   17 15:05:25      -49.514701         1.996624
BFGS:   18 15:05:25      -49.804233         1.872203
BFGS:   19 15:05:26      -50.077608         1.768287
BFGS:   20 15:05:26      -50.333338         1.636737
BFGS:   21 15:05:26      -50.567194         1.476499
BFGS:   22 15:05:26      -50.774814         1.286796
BFGS:   23 15:05:26      -50.951734         1.067126
BFGS:   24 15:05:26      -51.093441         0.817259
BFGS:   25 15:05:26      -51.195404         0.537235
BFGS:   26 15:05:26      -51.253118         0.227358
BFGS:   27 15:05:26      -51.264745         0.018670
BFGS:   28 15:05:26      -51.264821         0.000546
BFGS:   29 15:05:26      -51.264821         0.000001
BFGS:   30 15:05:26      -51.264821         0.000000
Minimization converged after 30 steps.
Maximum force component: 1.0627179099547113e-30 eV/Angstrom
Maximum stress component: 9.927352726735847e-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([[5.225328470991046, 5.967799364566595e-34, -3.979254974680967e-32], [4.3936587846387595e-33, 5.225328470991046, -4.757776194939279e-17], [3.1926984630386635e-33, -4.757776194939279e-17, 5.225328470991046]])
forces =  [[ 2.68363109e-31  7.11162238e-32 -4.29380974e-32]
 [ 4.29380974e-32  1.28814292e-31  1.93221438e-31]
 [-2.57628584e-31 -8.58761947e-32 -4.29380974e-31]
 [ 2.03955963e-31 -4.29380974e-32 -3.22035730e-32]
 [-8.58761947e-32  9.44638142e-31 -2.57628584e-31]
 [-4.07911925e-31  4.72319071e-31 -4.29380974e-32]
 [-4.29380974e-32 -4.29380974e-31  7.72885753e-31]
 [ 1.71752389e-31  8.58761947e-32  1.28814292e-31]
 [ 2.57628584e-31  1.06271791e-30 -2.14690487e-31]
 [-4.29380974e-32  2.22741380e-31  1.79803283e-31]
 [ 1.71752389e-31 -1.71752389e-31  3.00566682e-31]
 [-4.29380974e-31  1.50283341e-31 -4.29380974e-32]
 [-4.29380974e-32  4.83053595e-32  1.93221438e-31]
 [ 4.29380974e-31 -1.71752389e-31 -2.57628584e-31]
 [ 2.79097633e-31 -3.43504779e-31 -6.87009558e-31]
 [ 1.28814292e-31  6.44071461e-32 -5.86441193e-49]]
stress =  [9.92735273e-12 9.92735273e-12 9.92735273e-12 2.96305825e-27
 1.50477654e-34 3.16441341e-51]
energy per atom =  -3.2040513145605987
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0