element(s):
['C']
AFLOW prototype label:
A_hR2_166_c
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4675532', '5.0459694', '0.83331463']
model name:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.         0.33331463]]
spacegroup =  166
cell =  [[2.4676, 0, 0], [-1.2338, 2.1370042863785, 0], [0, 0, 12.4512]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:02:12      -28.987598         5.919532
BFGS:    1 15:02:12      -29.542885         5.193714
BFGS:    2 15:02:12      -30.027861         4.512629
BFGS:    3 15:02:12      -30.446890         3.873689
BFGS:    4 15:02:12      -30.804113         3.274449
BFGS:    5 15:02:12      -31.103509         2.712557
BFGS:    6 15:02:12      -31.348990         2.185642
BFGS:    7 15:02:12      -31.544600         1.691091
BFGS:    8 15:02:12      -31.694924         1.225547
BFGS:    9 15:02:12      -31.805954         0.783774
BFGS:   10 15:02:12      -31.886839         0.486177
BFGS:   11 15:02:12      -31.951987         0.659526
BFGS:   12 15:02:12      -32.016831         0.822490
BFGS:   13 15:02:12      -32.086294         1.056288
BFGS:   14 15:02:12      -32.160740         1.731701
BFGS:   15 15:02:12      -32.290405         1.749527
BFGS:   16 15:02:12      -32.515450         1.694375
BFGS:   17 15:02:12      -32.716162         1.603565
BFGS:   18 15:02:12      -32.896153         1.483917
BFGS:   19 15:02:12      -33.058295         1.349142
BFGS:   20 15:02:12      -33.201542         1.196620
BFGS:   21 15:02:12      -33.325773         1.031693
BFGS:   22 15:02:12      -33.429361         0.848424
BFGS:   23 15:02:12      -33.511991         0.657097
BFGS:   24 15:02:12      -33.571186         0.435111
BFGS:   25 15:02:12      -33.607095         0.242206
BFGS:   26 15:02:12      -33.612413         0.284845
BFGS:   27 15:02:12      -33.615561         0.148673
BFGS:   28 15:02:12      -33.617317         0.012533
BFGS:   29 15:02:12      -33.617348         0.001715
BFGS:   30 15:02:12      -33.617348         0.000093
BFGS:   31 15:02:12      -33.617348         0.000002
BFGS:   32 15:02:12      -33.617348         0.000000
BFGS:   33 15:02:12      -33.617348         0.000000
Minimization converged after 33 steps.
Maximum force component: 8.131702718590836e-11 eV/Angstrom
Maximum stress component: 6.49901528657848e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.         0.         0.31316852]
 [0.         1.         0.68683148]
 [0.66666667 0.33333333 0.64650185]
 [0.66666667 0.33333333 0.02016482]
 [0.33333333 0.66666667 0.97983518]
 [0.33333333 0.66666667 0.35349815]]
cellpar =  Cell([[2.521895836032286, -5.869559199170121e-17, 1.81284863414604e-18], [-1.260947918016143, 2.184025859702153, 1.934653995062488e-18], [7.833081089518677e-18, 4.668217290745201e-16, 12.495767627558378]])
forces =  [[ 5.13611215e-29  3.03749015e-27  8.13170272e-11]
 [-5.18032159e-29 -3.03758586e-27 -8.13170272e-11]
 [ 5.19137395e-29  3.03739443e-27  8.13170272e-11]
 [-5.25216194e-29 -3.03749015e-27 -8.13170272e-11]
 [ 5.14163833e-29  3.03825588e-27  8.13170272e-11]
 [-5.25216194e-29 -3.03729871e-27 -8.13170272e-11]]
stress =  [ 6.49901529e-12  6.49901529e-12  1.78689001e-12 -8.58199419e-29
  4.98240073e-29 -2.98072845e-27]
energy per atom =  -5.602891320579481
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0