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 16:42:36      -40.958385        4.9318
BFGS:    1 16:42:36      -41.682259        4.7208
BFGS:    2 16:42:36      -42.374880        4.5151
BFGS:    3 16:42:36      -43.037040        4.3146
BFGS:    4 16:42:36      -43.669514        4.1192
BFGS:    5 16:42:36      -44.273061        3.9289
BFGS:    6 16:42:36      -44.848424        3.7434
BFGS:    7 16:42:36      -45.396327        3.5627
BFGS:    8 16:42:36      -45.917480        3.3867
BFGS:    9 16:42:36      -46.412579        3.2153
BFGS:   10 16:42:36      -46.882301        3.0484
BFGS:   11 16:42:36      -47.327312        2.8858
BFGS:   12 16:42:36      -47.748260        2.7275
BFGS:   13 16:42:36      -48.145780        2.5734
BFGS:   14 16:42:37      -48.520495        2.4234
BFGS:   15 16:42:37      -48.873011        2.2774
BFGS:   16 16:42:37      -49.203922        2.1354
BFGS:   17 16:42:37      -49.513808        1.9971
BFGS:   18 16:42:37      -49.803410        1.8726
BFGS:   19 16:42:37      -50.076848        1.7687
BFGS:   20 16:42:37      -50.332636        1.6371
BFGS:   21 16:42:37      -50.566547        1.4768
BFGS:   22 16:42:37      -50.774216        1.2871
BFGS:   23 16:42:37      -50.951184        1.0674
BFGS:   24 16:42:37      -51.092933        0.8175
BFGS:   25 16:42:37      -51.194935        0.5375
BFGS:   26 16:42:37      -51.252687        0.2276
BFGS:   27 16:42:37      -51.264337        0.0187
BFGS:   28 16:42:38      -51.264413        0.0005
BFGS:   29 16:42:38      -51.264413        0.0000
BFGS:   30 16:42:38      -51.264413        0.0000
Minimization converged after 30 steps.
Maximum force component: 1.4598980387244436e-30 eV/Angstrom
Maximum stress component: 9.979744335771311e-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([[5.22533823546651, -2.9352311369945174e-33, -2.938067399640522e-34], [-1.820654175568671e-33, 5.22533823546651, 1.0655266871579789e-17], [3.034430039477128e-34, 1.0655266871579785e-17, 5.22533823546651]])
forces =  [[ 7.72887197e-31 -6.01134487e-31 -8.58763552e-32]
 [-1.71752710e-31 -8.58763552e-32  8.58763552e-32]
 [ 4.29381776e-32  4.10596323e-31 -5.21967222e-31]
 [ 1.71752710e-31  1.37402168e-30  9.44639907e-31]
 [-5.25992676e-31  4.18647232e-31 -6.44072664e-32]
 [-7.72887197e-31 -8.58763552e-31  3.43505421e-31]
 [ 7.72887197e-31 -7.72887197e-31 -5.15258131e-31]
 [ 1.07345444e-31 -6.22603575e-31 -1.55650894e-31]
 [-3.43505421e-31 -1.71752710e-31  8.58763552e-32]
 [ 4.29381776e-31 -2.57629066e-31 -2.57629066e-31]
 [-8.58763552e-32 -8.58763552e-32 -2.57629066e-31]
 [-1.45989804e-30  6.87010842e-31 -3.43505421e-31]
 [ 2.57629066e-31 -6.01134487e-31 -2.57629066e-31]
 [ 7.24581747e-32 -1.44916349e-30 -2.03956344e-31]
 [ 1.71752710e-31  7.72887197e-31  6.87010842e-31]
 [ 1.71752710e-31 -8.58763552e-31 -6.01134487e-31]]
stress =  [ 9.97974434e-12  9.97974434e-12  9.97974434e-12 -1.22116326e-30
  3.00954184e-34  2.87889832e-52]
energy per atom =  -3.2040257969201944
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0