element(s):
['C']
AFLOW prototype label:
A_oC8_67_m
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4679', '1.7318773', '3.3343328', '0.58332715', '0.24954517']
model name:
Tersoff_LAMMPS_Tersoff_1990_SiC__MO_444207127575_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.41667285 0.24954517]]
spacegroup =  67
cell =  [[2.4679, 0, 0], [0, 4.2741, 0], [0, 0, 8.2288]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:55:58       29.881269        19.690240
BFGS:    1 16:55:58       27.955061        18.844310
BFGS:    2 16:55:58       26.112431        18.029380
BFGS:    3 16:55:58      -40.266742         4.242517
BFGS:    4 16:55:58      -40.394919         4.106145
BFGS:    5 16:55:58      -40.776886         3.699445
BFGS:    6 16:55:58      -41.118555         3.244042
BFGS:    7 16:55:58      -41.417242         2.818118
BFGS:    8 16:55:58      -41.677344         2.403040
BFGS:    9 16:55:58      -41.897931         2.028872
BFGS:   10 16:55:58      -42.081905         1.666268
BFGS:   11 16:55:58      -42.230728         1.323219
BFGS:   12 16:55:58      -42.346125         0.995864
BFGS:   13 16:55:58      -42.429676         0.684383
BFGS:   14 16:55:58      -42.482918         0.387982
BFGS:   15 16:55:58      -42.507320         0.106079
BFGS:   16 16:55:58      -42.509322         0.004922
BFGS:   17 16:55:58      -42.509324         0.001297
BFGS:   18 16:55:58      -42.509324         0.001246
BFGS:   19 16:55:58      -42.509325         0.000734
BFGS:   20 16:55:58      -42.509325         0.000244
BFGS:   21 16:55:58      -42.509325         0.000027
BFGS:   22 16:55:59      -42.509325         0.000002
BFGS:   23 16:55:59      -42.509325         0.000000
BFGS:   24 16:55:59      -42.509325         0.000000
Minimization converged after 24 steps.
Maximum force component: 1.678996525145138e-11 eV/Angstrom
Maximum stress component: 1.1080299164657722e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 4.16666667e-01 2.49545170e-01]
 [3.48554095e-33 8.33333333e-02 2.49545170e-01]
 [0.00000000e+00 9.16666667e-01 7.50454830e-01]
 [7.61819052e-33 5.83333333e-01 7.50454830e-01]
 [5.00000000e-01 9.16666667e-01 2.49545170e-01]
 [5.00000000e-01 5.83333333e-01 2.49545170e-01]
 [5.00000000e-01 4.16666667e-01 7.50454830e-01]
 [5.00000000e-01 8.33333333e-02 7.50454830e-01]]
cellpar =  Cell([[2.6938762356694017, 3.5988797890778443e-37, 0.0], [-9.071817755372735e-36, 4.665930509360077, 0.0], [0.0, 0.0, 8.228799999999998]])
forces =  [[-2.07528676e-33 -1.67899653e-11  0.00000000e+00]
 [-3.26441863e-47  1.67899653e-11  0.00000000e+00]
 [ 3.26441863e-47 -1.67899653e-11  0.00000000e+00]
 [-3.26441863e-47  1.67899653e-11  0.00000000e+00]
 [ 2.49034412e-32 -1.67899653e-11  0.00000000e+00]
 [ 1.66022941e-32  1.67899653e-11  0.00000000e+00]
 [ 4.15057353e-33 -1.67899653e-11  0.00000000e+00]
 [-3.26441863e-47  1.67899653e-11  0.00000000e+00]]
stress =  [-5.93530179e-11 -1.10802992e-10  0.00000000e+00  0.00000000e+00
  0.00000000e+00 -1.96125719e-33]
energy per atom =  -5.313665613007499
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oC8_67_m, while relaxed is A_aP2_2_i. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.