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_1994_SiC__MO_794973922560_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      -38.771841        5.7626
BFGS:    1 16:46:14      -39.321223        5.2334
BFGS:    2 16:46:14      -39.818700        4.7254
BFGS:    3 16:46:14      -40.266818        4.2450
BFGS:    4 16:46:14      -40.667209        3.7844
BFGS:    5 16:46:14      -41.022275        3.3527
BFGS:    6 16:46:14      -41.333219        2.9443
BFGS:    7 16:46:14      -41.602630        2.5576
BFGS:    8 16:46:14      -41.834442        2.1585
BFGS:    9 16:46:14      -42.029548        1.7812
BFGS:   10 16:46:14      -42.188966        1.4259
BFGS:   11 16:46:14      -42.314557        1.0926
BFGS:   12 16:46:14      -42.407668        0.7751
BFGS:   13 16:46:14      -42.469958        0.4746
BFGS:   14 16:46:14      -42.502918        0.1884
BFGS:   15 16:46:14      -42.509314        0.0082
BFGS:   16 16:46:14      -42.509325        0.0005
BFGS:   17 16:46:14      -42.509325        0.0004
BFGS:   18 16:46:14      -42.509325        0.0004
BFGS:   19 16:46:14      -42.509325        0.0004
BFGS:   20 16:46:14      -42.509325        0.0003
BFGS:   21 16:46:14      -42.509325        0.0001
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
BFGS:   25 16:46:14      -42.509325        0.0000
Minimization converged after 25 steps.
Maximum force component: 2.5139365556406495e-10 eV/Angstrom
Maximum stress component: 2.8104589933497906e-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]
 [0.00000000e+00 8.33333333e-02 2.49545170e-01]
 [9.51002167e-37 9.16666667e-01 7.50454830e-01]
 [1.90719241e-36 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([[2.693876235481509, 1.1892779093277029e-37, 0.0], [-9.628786417111403e-37, 4.665930509307465, 0.0], [0.0, 0.0, 8.228799999999998]])
forces =  [[ 1.66022941e-32 -2.51393656e-10  0.00000000e+00]
 [-3.32045882e-32  2.51393656e-10  0.00000000e+00]
 [-4.98068823e-32 -2.51393656e-10  0.00000000e+00]
 [-6.64091764e-32  2.51393656e-10  0.00000000e+00]
 [-8.30114705e-33 -2.51393656e-10  0.00000000e+00]
 [-6.64091764e-32  2.51393656e-10  0.00000000e+00]
 [-6.64091764e-32 -2.51393656e-10  0.00000000e+00]
 [-5.55139209e-32  2.51393656e-10  0.00000000e+00]]
stress =  [-2.81045899e-10 -2.11019359e-10  0.00000000e+00  0.00000000e+00
  0.00000000e+00  3.92251439e-33]
energy per atom =  -5.313665613007475
===============================================
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.