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 09:42:22      -38.771841         5.762571
BFGS:    1 09:42:22      -39.321223         5.233368
BFGS:    2 09:42:22      -39.818700         4.725439
BFGS:    3 09:42:22      -40.266818         4.245004
BFGS:    4 09:42:22      -40.667209         3.784384
BFGS:    5 09:42:22      -41.022275         3.352663
BFGS:    6 09:42:22      -41.333219         2.944262
BFGS:    7 09:42:22      -41.602630         2.557568
BFGS:    8 09:42:22      -41.834442         2.158480
BFGS:    9 09:42:22      -42.029548         1.781171
BFGS:   10 09:42:22      -42.188966         1.425947
BFGS:   11 09:42:22      -42.314557         1.092645
BFGS:   12 09:42:22      -42.407668         0.775105
BFGS:   13 09:42:22      -42.469958         0.474634
BFGS:   14 09:42:22      -42.502918         0.188395
BFGS:   15 09:42:22      -42.509314         0.008180
BFGS:   16 09:42:22      -42.509325         0.000508
BFGS:   17 09:42:22      -42.509325         0.000362
BFGS:   18 09:42:22      -42.509325         0.000404
BFGS:   19 09:42:22      -42.509325         0.000402
BFGS:   20 09:42:22      -42.509325         0.000266
BFGS:   21 09:42:22      -42.509325         0.000078
BFGS:   22 09:42:22      -42.509325         0.000020
BFGS:   23 09:42:22      -42.509325         0.000002
BFGS:   24 09:42:22      -42.509325         0.000000
BFGS:   25 09:42:22      -42.509325         0.000000
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.