element(s):
['Si']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.6864', '1.708383']
model name:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.6864, 0, 0], [-1.3432, 2.3264906447265, 0], [0, 0, 4.5894]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:00:20       -7.609085         2.539069
BFGS:    1 16:00:20       -7.678407         2.725691
BFGS:    2 16:00:20       -7.716027         0.579001
BFGS:    3 16:00:20       -7.730815         0.342648
BFGS:    4 16:00:20       -7.735353         0.055528
BFGS:    5 16:00:20       -7.735397         0.006515
BFGS:    6 16:00:20       -7.735397         0.000107
BFGS:    7 16:00:20       -7.735397         0.000002
BFGS:    8 16:00:20       -7.735397         0.000000
Minimization converged after 8 steps.
Maximum force component: 5.4351209243580565e-31 eV/Angstrom
Maximum stress component: 6.543611186799261e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.7559337208301997, 4.367257904680997e-18, -8.265368945811663e-38], [-1.3779668604150999, 2.386708613385124, -1.6681441461992467e-37], [-6.02069421398309e-36, -1.0833103819609756e-35, 4.500437366040559]])
forces =  [[ 3.62341395e-31 -3.13796853e-31  2.95851591e-31]
 [-5.43512092e-31  3.13796853e-31 -2.95851591e-31]]
stress =  [ 3.31155885e-10  3.31155885e-10 -6.54361119e-10  3.06009613e-32
  1.06004839e-32 -6.33826122e-26]
energy per atom =  -3.8676985246019973
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0