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:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_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 09:42:24      -38.656886         5.914505
BFGS:    1 09:42:24      -39.220513         5.366740
BFGS:    2 09:42:24      -39.730496         4.842503
BFGS:    3 09:42:24      -40.189583         4.347788
BFGS:    4 09:42:24      -40.599581         3.874805
BFGS:    5 09:42:24      -40.963032         3.432768
BFGS:    6 09:42:24      -41.281209         3.016275
BFGS:    7 09:42:24      -41.556926         2.621652
BFGS:    8 09:42:24      -41.794568         2.211301
BFGS:    9 09:42:24      -41.994668         1.828018
BFGS:   10 09:42:24      -42.158495         1.466387
BFGS:   11 09:42:24      -42.287928         1.128759
BFGS:   12 09:42:24      -42.384413         0.806893
BFGS:   13 09:42:24      -42.449655         0.502330
BFGS:   14 09:42:24      -42.485199         0.212632
BFGS:   15 09:42:24      -42.493262         0.009746
BFGS:   16 09:42:24      -42.493278         0.000573
BFGS:   17 09:42:24      -42.493278         0.000376
BFGS:   18 09:42:24      -42.493278         0.000410
BFGS:   19 09:42:24      -42.493278         0.000407
BFGS:   20 09:42:24      -42.493278         0.000264
BFGS:   21 09:42:24      -42.493278         0.000074
BFGS:   22 09:42:24      -42.493278         0.000018
BFGS:   23 09:42:24      -42.493278         0.000001
BFGS:   24 09:42:24      -42.493278         0.000000
BFGS:   25 09:42:24      -42.493278         0.000000
Minimization converged after 25 steps.
Maximum force component: 5.7564064626092204e-11 eV/Angstrom
Maximum stress component: 1.9464875722647388e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.84846487e-36 4.16666667e-01 2.49545170e-01]
 [7.94573640e-38 8.33333333e-02 2.49545170e-01]
 [2.42846764e-36 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([[2.6951166422088155, -1.2571864859414243e-38, 0.0], [1.586376433804799e-39, 4.668078956716463, 0.0], [0.0, 0.0, 8.228799999999998]])
forces =  [[ 1.32879510e-31 -5.75640646e-11  0.00000000e+00]
 [-2.65759019e-31  5.75640646e-11  0.00000000e+00]
 [-3.98638529e-31 -5.75640646e-11  0.00000000e+00]
 [ 1.32879510e-31  5.75640646e-11  0.00000000e+00]
 [-1.95622817e-50 -5.75640646e-11  0.00000000e+00]
 [-2.65759019e-31  5.75640646e-11  0.00000000e+00]
 [ 1.32879510e-31 -5.75640646e-11  0.00000000e+00]
 [-4.65078284e-31  5.75640646e-11  0.00000000e+00]]
stress =  [-1.94648757e-10 -1.56538660e-10  0.00000000e+00  0.00000000e+00
  0.00000000e+00 -4.89863076e-34]
energy per atom =  -5.311659793617396
===============================================
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.