element(s):
['Si']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8496', '1.6527431', '0.56294015']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.56294015]]
spacegroup =  194
cell =  [[3.8496, 0, 0], [-1.9248, 3.3338513944086, 0], [0, 0, 6.3624]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:26:22      -18.500200         0.400367
BFGS:    1 16:26:22      -18.503338         0.339971
BFGS:    2 16:26:22      -18.511235         0.146752
BFGS:    3 16:26:22      -18.512330         0.099702
BFGS:    4 16:26:22      -18.513017         0.043683
BFGS:    5 16:26:22      -18.513098         0.043314
BFGS:    6 16:26:22      -18.513542         0.029966
BFGS:    7 16:26:22      -18.513640         0.017498
BFGS:    8 16:26:22      -18.513658         0.002925
BFGS:    9 16:26:22      -18.513659         0.000187
BFGS:   10 16:26:22      -18.513659         0.000009
BFGS:   11 16:26:22      -18.513659         0.000000
BFGS:   12 16:26:22      -18.513659         0.000000
Minimization converged after 12 steps.
Maximum force component: 4.932653853861293e-09 eV/Angstrom
Maximum stress component: 9.309369089408946e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.5625    ]
 [0.66666666 0.33333334 0.0625    ]
 [0.66666666 0.33333334 0.4375    ]
 [0.33333333 0.66666667 0.9375    ]]
cellpar =  Cell([[3.8387960702032418, -3.598429225281201e-18, 6.287857134035778e-37], [-1.9193980351016209, 3.324494916743879, 1.4243622640657483e-36], [1.938769931059118e-36, -9.530797777617923e-37, 6.268727733248344]])
forces =  [[ 2.52356345e-31  1.09273503e-31 -4.93265385e-09]
 [ 5.67801777e-31 -3.27820509e-31 -4.93265385e-09]
 [-6.30890863e-32 -2.18547006e-31  4.93265385e-09]
 [ 6.30890863e-32 -3.27820509e-31  4.93265385e-09]]
stress =  [ 9.30936909e-11  9.30936909e-11  3.78576301e-11 -2.07006233e-33
 -8.53679318e-34 -1.63301880e-27]
energy per atom =  -4.628414662852904
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0