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 16:46:14       29.881269       19.6902
BFGS:    1 16:46:14       27.955061       18.8443
BFGS:    2 16:46:14       26.112431       18.0294
BFGS:    3 16:46:14      -40.266742        4.2425
BFGS:    4 16:46:14      -40.394919        4.1061
BFGS:    5 16:46:14      -40.776886        3.6994
BFGS:    6 16:46:14      -41.118555        3.2440
BFGS:    7 16:46:14      -41.417242        2.8181
BFGS:    8 16:46:14      -41.677344        2.4030
BFGS:    9 16:46:14      -41.897931        2.0289
BFGS:   10 16:46:14      -42.081905        1.6663
BFGS:   11 16:46:14      -42.230728        1.3232
BFGS:   12 16:46:14      -42.346125        0.9959
BFGS:   13 16:46:14      -42.429676        0.6844
BFGS:   14 16:46:14      -42.482918        0.3880
BFGS:   15 16:46:14      -42.507320        0.1061
BFGS:   16 16:46:14      -42.509322        0.0049
BFGS:   17 16:46:14      -42.509324        0.0013
BFGS:   18 16:46:14      -42.509324        0.0012
BFGS:   19 16:46:14      -42.509325        0.0007
BFGS:   20 16:46:14      -42.509325        0.0002
BFGS:   21 16:46:14      -42.509325        0.0000
BFGS:   22 16:46:14      -42.509325        0.0000
BFGS:   23 16:46:14      -42.509325        0.0000
BFGS:   24 16:46:14      -42.509325        0.0000
Minimization converged after 24 steps.
Maximum force component: 1.680535026776169e-11 eV/Angstrom
Maximum stress component: 1.1080337894508749e-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]
 [1.35956342e-36 8.33333333e-02 2.49545170e-01]
 [0.00000000e+00 9.16666667e-01 7.50454830e-01]
 [0.00000000e+00 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, -7.928524697773585e-37, 0.0], [8.016621927977004e-37, 4.665930509360077, 0.0], [0.0, 0.0, 8.228799999999998]])
forces =  [[-2.88735846e-48 -1.68053503e-11  0.00000000e+00]
 [ 2.88735846e-48  1.68053503e-11  0.00000000e+00]
 [-2.88735846e-48 -1.68053503e-11  0.00000000e+00]
 [ 2.88735846e-48  1.68053503e-11  0.00000000e+00]
 [-2.88735846e-48 -1.68053503e-11  0.00000000e+00]
 [ 2.88735846e-48  1.68053503e-11  0.00000000e+00]
 [-2.88735846e-48 -1.68053503e-11  0.00000000e+00]
 [ 2.88735846e-48  1.68053503e-11  0.00000000e+00]]
stress =  [-5.93531087e-11 -1.10803379e-10  0.00000000e+00  0.00000000e+00
  0.00000000e+00 -2.45157149e-34]
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.