element(s):
['C', 'Si']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3792']
model name:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[4.3792, 0, 0], [0, 4.3792, 0], [0, 0, 4.3792]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:05:44      -51.203367         0.945499
BFGS:    1 19:05:44      -51.240404         0.882324
BFGS:    2 19:05:44      -51.354693         0.639027
BFGS:    3 19:05:45      -51.431343         0.380343
BFGS:    4 19:05:45      -51.467991         0.105556
BFGS:    5 19:05:45      -51.470916         0.004437
BFGS:    6 19:05:45      -51.470921         0.000049
BFGS:    7 19:05:45      -51.470921         0.000000
BFGS:    8 19:05:45      -51.470921         0.000000
Minimization converged after 8 steps.
Maximum force component: 2.1979235884320496e-30 eV/Angstrom
Maximum stress component: 8.717754157925995e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.35225742e-37 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.70015294e-34]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[4.279601903818247, 2.522694694605548e-32, -4.9663551509020626e-33], [1.42962810713469e-33, 4.279601903818247, -6.1343724243356334e-18], [-4.711812817525505e-34, -6.1343724243356334e-18, 4.279601903818247]])
forces =  [[ 7.91252492e-32  3.51667774e-32  7.03335548e-32]
 [ 7.03335548e-32  7.03335548e-32  3.69414853e-32]
 [ 7.03335548e-32  7.03335548e-32  7.47294020e-32]
 [ 7.03335548e-32  4.39584718e-32  3.51667774e-32]
 [-6.33001993e-31  1.75833887e-31 -1.99393991e-30]
 [ 2.54959136e-31 -1.80229734e-31 -2.19792359e-30]
 [-7.64877409e-31  1.93417276e-31  2.03967309e-30]
 [-1.40667110e-31  8.44002658e-31  1.89900598e-30]]
stress =  [-8.71775416e-15 -8.71775416e-15 -8.71775416e-15  2.20960378e-32
  8.97330547e-34 -1.65259737e-50]
energy per atom =  -6.433865163222386
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0