element(s):
['C']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5188', '3.2978799', '0.092975226', '0.65554043']
model name:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.09297523]
 [0.33333333 0.66666667 0.65554043]]
spacegroup =  194
cell =  [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:44:08      -59.728268         0.501414
BFGS:    1 12:44:09      -59.738944         0.355920
BFGS:    2 12:44:09      -59.742578         0.351940
BFGS:    3 12:44:09      -59.745639         0.305474
BFGS:    4 12:44:09      -59.755500         0.049839
BFGS:    5 12:44:09      -59.755736         0.038991
BFGS:    6 12:44:09      -59.755792         0.037720
BFGS:    7 12:44:09      -59.756022         0.025212
BFGS:    8 12:44:09      -59.756084         0.015871
BFGS:    9 12:44:09      -59.756097         0.002924
BFGS:   10 12:44:10      -59.756097         0.000207
BFGS:   11 12:44:10      -59.756097         0.000009
BFGS:   12 12:44:10      -59.756097         0.000000
BFGS:   13 12:44:10      -59.756097         0.000000
Minimization converged after 13 steps.
Maximum force component: 6.53514775628139e-09 eV/Angstrom
Maximum stress component: 4.919304694251108e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.28392211e-35 0.00000000e+00 9.37500000e-02]
 [0.00000000e+00 2.88671260e-35 5.93750000e-01]
 [0.00000000e+00 5.31207141e-35 9.06250000e-01]
 [8.39958691e-35 0.00000000e+00 4.06250000e-01]
 [3.33333333e-01 6.66666667e-01 6.56250000e-01]
 [6.66666667e-01 3.33333333e-01 1.56250000e-01]
 [6.66666667e-01 3.33333333e-01 3.43750000e-01]
 [3.33333333e-01 6.66666667e-01 8.43750000e-01]]
cellpar =  Cell([[2.516118973369299, -3.5688283699130227e-19, -1.518437717064916e-38], [-1.2580594866846495, 2.179022949881833, -3.049596051318154e-38], [-2.990470343290306e-37, -3.497236798568525e-37, 8.217610156704389]])
forces =  [[-2.48108486e-31 -1.43245501e-31  3.70704401e-09]
 [ 6.82298338e-31 -3.58113753e-32  3.70704401e-09]
 [ 3.30811315e-31 -2.86491003e-31 -3.70704401e-09]
 [ 1.53266748e-46  5.72982006e-31 -3.70704401e-09]
 [ 2.37820549e-46 -4.29736504e-31 -6.53514776e-09]
 [-1.15783960e-30  4.29736504e-31 -6.53514776e-09]
 [-2.19456832e-46  5.72982006e-31  6.53514776e-09]
 [ 3.30811315e-31 -2.86491003e-31  6.53514776e-09]]
stress =  [ 1.19504315e-10  1.19504315e-10  4.91930469e-10  1.83561608e-33
  2.40015932e-45 -2.20978254e-26]
energy per atom =  -7.469512181996496
===============================================