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 14:49:06      -59.728268         0.501414
BFGS:    1 14:49:06      -59.738944         0.355920
BFGS:    2 14:49:06      -59.742578         0.351940
BFGS:    3 14:49:06      -59.745639         0.305474
BFGS:    4 14:49:06      -59.755500         0.049839
BFGS:    5 14:49:06      -59.755736         0.038991
BFGS:    6 14:49:06      -59.755792         0.037720
BFGS:    7 14:49:06      -59.756022         0.025212
BFGS:    8 14:49:06      -59.756084         0.015871
BFGS:    9 14:49:06      -59.756097         0.002924
BFGS:   10 14:49:06      -59.756097         0.000207
BFGS:   11 14:49:06      -59.756097         0.000009
BFGS:   12 14:49:06      -59.756097         0.000000
BFGS:   13 14:49:06      -59.756097         0.000000
Minimization converged after 13 steps.
Maximum force component: 6.535270546947914e-09 eV/Angstrom
Maximum stress component: 4.919273152801055e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 1.04379000e-35 9.37500000e-02]
 [0.00000000e+00 0.00000000e+00 5.93750000e-01]
 [1.51881504e-35 1.44815623e-35 9.06250000e-01]
 [0.00000000e+00 1.66580493e-35 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([[2.5161189733692986, -3.378004550478323e-19, 1.3513167108298012e-37], [-1.2580594866846493, 2.1790229498818334, 2.8709873982677547e-37], [1.1467624013200672e-36, -8.550589598903287e-38, 8.217610156704389]])
forces =  [[ 8.27028288e-32 -1.43245501e-31  3.70716013e-09]
 [-8.27028288e-32  1.43245501e-31  3.70716013e-09]
 [-1.08415008e-31 -2.70879494e-32 -3.70716013e-09]
 [ 1.65405658e-31  3.85515446e-47 -3.70716013e-09]
 [-3.92838437e-31  2.86491003e-31 -6.53527055e-09]
 [-9.09285452e-46 -1.43245501e-31 -6.53527055e-09]
 [ 3.30811315e-31 -2.86491003e-31  6.53527055e-09]
 [-6.20271216e-31  2.86491003e-31  6.53527055e-09]]
stress =  [ 1.19507420e-10  1.19507420e-10  4.91927315e-10  2.75342412e-33
 -1.58969016e-33 -2.92325551e-27]
energy per atom =  -7.469512181996497
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0