element(s):
['Si']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4673']
model name:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:27:57      -37.018573         0.232253
BFGS:    1 16:27:57      -37.020813         0.217782
BFGS:    2 16:27:57      -37.036742         0.007461
BFGS:    3 16:27:57      -37.036760         0.000228
BFGS:    4 16:27:57      -37.036760         0.000000
BFGS:    5 16:27:57      -37.036760         0.000000
Minimization converged after 5 steps.
Maximum force component: 2.9013674687425408e-31 eV/Angstrom
Maximum stress component: 3.4471583084600374e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[4.04449380e-33 0.00000000e+00 3.21906296e-33]
 [1.76544249e-32 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.93714076e-33]
 [5.00000000e-01 8.78403320e-33 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.4320052380073465, -7.565496061404549e-34, -2.2277000681371594e-34], [7.565262419582969e-34, 5.4320052380073465, 4.779239419997287e-19], [-5.595964145152535e-33, 4.779239419997348e-19, 5.4320052380073465]])
forces =  [[-6.69546339e-32 -4.88210872e-32 -3.34773169e-32]
 [ 2.90136747e-31 -1.64596808e-31 -7.81137395e-32]
 [-7.81137395e-32 -1.31119491e-31  2.78977641e-32]
 [ 2.84557194e-31  2.07838343e-31 -2.34341219e-31]
 [-1.11591056e-32  1.67386585e-31  6.13750811e-32]
 [-5.57955282e-32  3.06875405e-32  1.11591056e-31]
 [-1.29724603e-31 -1.52240970e-31  2.78977641e-32]
 [-7.81137395e-32 -1.14380833e-31 -1.45068373e-31]]
stress =  [-3.44715831e-13 -3.44715831e-13 -3.44715831e-13 -1.53085930e-28
 -1.61001748e-34 -3.57499312e-50]
energy per atom =  -4.629594992778735
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0