[DFTB-Plus-User] SCC error
n.salami at srbiau.ac.ir
n.salami at srbiau.ac.ir
Thu Oct 24 10:06:38 CEST 2013
Dear all,
I'm trying to calculate the transport properties of p-type SiNW in 100
direction. I took 4 unitcell of the silicon in x direction for each
electrodes, separately (4 unitcells * 12 unitcells * 12 unitcells ) and 18
unitcells of the silicon in x direction for the device. After that, for
considering virtually boron doping with 1:4000, I have changed only the
Slater-Koster file of silicon, "Si-Si.skf"(I have changed the last number
of second line from 2 to 1.99925).
An error occurred when I'm solving the electrodes by DFTB+.
The error information, input and coordinate files are listed in the
following, could anyone tell me what's wrong with the calculation ?
1.Output
===============================================================================
==
== Density Functional based Tight Binding with a lot of extensions (DFTB+)
==
== Unofficial release (r4304)
==
== (ParserVersion = 3)
==
================================================================================
********************************************************************************
** Parsing and initializing
********************************************************************************
Interpreting input file 'dftb_in.hsd'
--------------------------------------------------------------------------------
Processed input in HSD format written to 'dftb_pin.hsd'
Starting initialization...
--------------------------------------------------------------------------------
Mode: Static calculation
Contact upload: No
Contact calculation: Yes
Use Poisson solver: No
Self consistent charges: Yes
SCC-tolerance: 0.100000E-06
Max. scc iterations: 20
Spin polarisation: No
Nr. of up electrons: 9593.424000
Nr. of down electrons: 9593.424000
Periodic boundaries: Yes
Diagonalizer: Divide and Conquer
Mixer: Broyden mixer
Mixing parameter: 0.200000
Maximal SCC-cycles: 20
Nr. of chrg. vec. in memory: 20
Electronic temperature: 0.100000E-07
Initial charges: Set automatically (system chrg: 0.000E+00)
Included shells: Si: S, P
H: S
K-points and weights: 1: 0.062500 0.000000 0.000000 0.250000
2: 0.187500 0.000000 0.000000 0.250000
3: 0.312500 0.000000 0.000000 0.250000
4: 0.437500 0.000000 0.000000 0.250000
Extra options:
--------------------------------------------------------------------------------
********************************************************************************
** Geometry step: 0
********************************************************************************
iSCC Total electronic Diff electronic SCC error
2.input file
Geometry = GenFormat {
<<< 'SiNW.gen'
}
Transport {
Geometry {
Device {
AtomRange = 1 49617
}
Contact {
Id = "source"
AtomRange = 49618 54981
}
Contact {
Id = "drain"
AtomRange = 54982 60345
}
}
Task = ContactHamiltonian{
ContactId = "drain"
}
}
Driver = {}
Hamiltonian = DFTB {
SCC = Yes
SCCTolerance = 1e-7
MaxSCCIterations = 20
MaxAngularMomentum = {
Si ="p"
H = "s"
}
Filling = Fermi {
Temperature [Kelvin] = 0
}
SlaterKosterFiles = {
H-H = "H-H.skf"
Si-H = "Si-H.skf"
H-Si = "Si-H.skf"
Si-Si = "Si-Si.skf"
}
KpointsAndWeights = SupercellFolding{
8 0 0
0 1 0
0 0 1
0.50 0.0 0.0
}
Eigensolver = DivideAndConquer{}
}
3.Geometry of a PL in xyz format
1341
Si -32.584999 -32.584999 -2.715000
Si -32.584999 -29.870001 0.000000
Si -29.870001 -32.584999 0.000000
Si -29.870001 -29.870001 -2.715000
Si -31.226999 -31.226999 -1.357000
Si -31.226999 -28.511999 1.358000
Si -28.511999 -31.226999 1.358000
Si -28.511999 -28.511999 -1.357000
H -33.442001 -33.442001 -1.858000
H -31.728001 -33.442001 -3.572000
H -33.442001 -30.726999 0.857000
H -33.442001 -29.013000 -0.857000
H -29.013000 -33.442001 -0.857000
H -30.726999 -33.442001 0.857000
Si -32.584999 -27.153999 -2.715000
Si -32.584999 -24.438999 0.000000
Si -29.870001 -27.153999 0.000000
Si -29.870001 -24.438999 -2.715000
Si -31.226999 -25.796000 -1.357000
Si -31.226999 -23.080999 1.358000
Si -28.511999 -25.796000 1.358000
Si -28.511999 -23.080999 -1.357000
H -33.442001 -28.011000 -1.858000
H -33.442001 -26.297001 -3.572000
H -33.442001 -25.296000 0.857000
H -33.442001 -23.582001 -0.857000
Si -32.584999 -21.724001 -2.715000
Si -32.584999 -19.009001 0.000000
Si -29.870001 -21.724001 0.000000
Si -29.870001 -19.009001 -2.715000
Si -31.226999 -20.365999 -1.357000
Si -31.226999 -17.650999 1.358000
Si -28.511999 -20.365999 1.358000
Si -28.511999 -17.650999 -1.357000
H -33.442001 -22.580999 -1.858000
H -33.442001 -20.867001 -3.572000
H -33.442001 -19.865999 0.857000
H -33.442001 -18.152000 -0.857000
Si -32.584999 -16.292999 -2.715000
Si -32.584999 -13.578000 0.000000
Si -29.870001 -16.292999 0.000000
Si -29.870001 -13.578000 -2.715000
Si -31.226999 -14.935000 -1.357000
Si -31.226999 -12.220000 1.358000
Si -28.511999 -14.935000 1.358000
Si -28.511999 -12.220000 -1.357000
H -33.442001 -17.150000 -1.858000
H -33.442001 -15.436000 -3.572000
H -33.442001 -14.435000 0.857000
H -33.442001 -12.721000 -0.857000
Si -32.584999 -10.862000 -2.715000
Si -32.584999 -8.147000 0.000000
Si -29.870001 -10.862000 0.000000
Si -29.870001 -8.147000 -2.715000
Si -31.226999 -9.504000 -1.357000
Si -31.226999 -6.789000 1.358000
Si -28.511999 -9.504000 1.358000
Si -28.511999 -6.789000 -1.357000
H -33.442001 -11.719000 -1.858000
H -33.442001 -10.005000 -3.572000
H -33.442001 -9.004000 0.857000
H -33.442001 -7.290000 -0.857000
Si -32.584999 -5.431000 -2.715000
Si -32.584999 -2.716000 0.000000
Si -29.870001 -5.431000 0.000000
Si -29.870001 -2.716000 -2.715000
Si -31.226999 -4.073000 -1.357000
Si -31.226999 -1.358000 1.358000
Si -28.511999 -4.073000 1.358000
Si -28.511999 -1.358000 -1.357000
H -33.442001 -6.288000 -1.858000
H -33.442001 -4.574000 -3.572000
H -33.442001 -3.573000 0.857000
H -33.442001 -1.859000 -0.857000
Si -32.584999 0.000000 -2.715000
Si -32.584999 2.715000 0.000000
Si -29.870001 0.000000 0.000000
Si -29.870001 2.715000 -2.715000
Si -31.226999 1.358000 -1.357000
Si -31.226999 4.073000 1.358000
Si -28.511999 1.358000 1.358000
Si -28.511999 4.073000 -1.357000
H -33.442001 -0.857000 -1.858000
H -33.442001 0.857000 -3.572000
H -33.442001 1.858000 0.857000
H -33.442001 3.572000 -0.857000
Si -32.584999 5.431000 -2.715000
Si -32.584999 8.146000 0.000000
Si -29.870001 5.431000 0.000000
Si -29.870001 8.146000 -2.715000
Si -31.226999 6.789000 -1.357000
Si -31.226999 9.504000 1.358000
Si -28.511999 6.789000 1.358000
Si -28.511999 9.504000 -1.357000
H -33.442001 4.574000 -1.858000
H -33.442001 6.288000 -3.572000
H -33.442001 7.289000 0.857000
H -33.442001 9.003000 -0.857000
Si -32.584999 10.862000 -2.715000
Si -32.584999 13.577000 0.000000
Si -29.870001 10.862000 0.000000
Si -29.870001 13.577000 -2.715000
Si -31.226999 12.220000 -1.357000
Si -31.226999 14.935000 1.358000
Si -28.511999 12.220000 1.358000
Si -28.511999 14.935000 -1.357000
H -33.442001 10.005000 -1.858000
H -33.442001 11.719000 -3.572000
H -33.442001 12.720000 0.857000
H -33.442001 14.434000 -0.857000
Si -32.584999 16.292999 -2.715000
Si -32.584999 19.007999 0.000000
Si -29.870001 16.292999 0.000000
Si -29.870001 19.007999 -2.715000
Si -31.226999 17.650999 -1.357000
Si -31.226999 20.365999 1.358000
Si -28.511999 17.650999 1.358000
Si -28.511999 20.365999 -1.357000
H -33.442001 15.436000 -1.858000
H -33.442001 17.150000 -3.572000
H -33.442001 18.150999 0.857000
H -33.442001 19.865000 -0.857000
Si -32.584999 21.724001 -2.715000
Si -32.584999 24.438999 0.000000
Si -29.870001 21.724001 0.000000
Si -29.870001 24.438999 -2.715000
Si -31.226999 23.082001 -1.357000
Si -31.226999 25.797001 1.358000
Si -28.511999 23.082001 1.358000
Si -28.511999 25.797001 -1.357000
H -33.442001 20.867001 -1.858000
H -33.442001 22.580999 -3.572000
H -33.442001 23.582001 0.857000
H -33.442001 25.296000 -0.857000
Si -32.584999 27.153999 -2.715000
Si -32.584999 29.870001 0.000000
Si -29.870001 27.153999 0.000000
Si -29.870001 29.870001 -2.715000
Si -31.226999 28.511999 -1.357000
Si -31.226999 31.226999 1.358000
Si -28.511999 28.511999 1.358000
Si -28.511999 31.226999 -1.357000
H -33.442001 26.296000 -1.858000
H -33.443001 28.011000 -3.572000
H -33.443001 29.013000 0.857000
H -33.442001 30.728001 -0.858000
H -32.084000 32.084999 2.215000
H -30.368999 32.084000 0.501000
H -29.368999 32.084000 -0.499000
H -27.655001 32.084999 -2.214000
Si -27.153999 -32.584999 -2.715000
Si -27.153999 -29.870001 0.000000
Si -24.438999 -32.584999 0.000000
Si -24.438999 -29.870001 -2.715000
Si -25.796000 -31.226999 -1.357000
Si -25.796000 -28.511999 1.358000
Si -23.080999 -31.226999 1.358000
Si -23.080999 -28.511999 -1.357000
H -28.011000 -33.442001 -1.858000
H -26.297001 -33.442001 -3.572000
H -23.582001 -33.442001 -0.857000
H -25.296000 -33.442001 0.857000
Si -27.153999 -27.153999 -2.715000
Si -27.153999 -24.438999 0.000000
Si -24.438999 -27.153999 0.000000
Si -24.438999 -24.438999 -2.715000
Si -25.796000 -25.796000 -1.357000
Si -25.796000 -23.080999 1.358000
Si -23.080999 -25.796000 1.358000
Si -23.080999 -23.080999 -1.357000
Si -27.153999 -21.724001 -2.715000
Si -27.153999 -19.009001 0.000000
Si -24.438999 -21.724001 0.000000
Si -24.438999 -19.009001 -2.715000
Si -25.796000 -20.365999 -1.357000
Si -25.796000 -17.650999 1.358000
Si -23.080999 -20.365999 1.358000
Si -23.080999 -17.650999 -1.357000
Si -27.153999 -16.292999 -2.715000
Si -27.153999 -13.578000 0.000000
Si -24.438999 -16.292999 0.000000
Si -24.438999 -13.578000 -2.715000
Si -25.796000 -14.935000 -1.357000
Si -25.796000 -12.220000 1.358000
Si -23.080999 -14.935000 1.358000
Si -23.080999 -12.220000 -1.357000
Si -27.153999 -10.862000 -2.715000
Si -27.153999 -8.147000 0.000000
Si -24.438999 -10.862000 0.000000
Si -24.438999 -8.147000 -2.715000
Si -25.796000 -9.504000 -1.357000
Si -25.796000 -6.789000 1.358000
Si -23.080999 -9.504000 1.358000
Si -23.080999 -6.789000 -1.357000
Si -27.153999 -5.431000 -2.715000
Si -27.153999 -2.716000 0.000000
Si -24.438999 -5.431000 0.000000
Si -24.438999 -2.716000 -2.715000
Si -25.796000 -4.073000 -1.357000
Si -25.796000 -1.358000 1.358000
Si -23.080999 -4.073000 1.358000
Si -23.080999 -1.358000 -1.357000
Si -27.153999 0.000000 -2.715000
Si -27.153999 2.715000 0.000000
Si -24.438999 0.000000 0.000000
Si -24.438999 2.715000 -2.715000
Si -25.796000 1.358000 -1.357000
Si -25.796000 4.073000 1.358000
Si -23.080999 1.358000 1.358000
Si -23.080999 4.073000 -1.357000
Si -27.153999 5.431000 -2.715000
Si -27.153999 8.146000 0.000000
Si -24.438999 5.431000 0.000000
Si -24.438999 8.146000 -2.715000
Si -25.796000 6.789000 -1.357000
Si -25.796000 9.504000 1.358000
Si -23.080999 6.789000 1.358000
Si -23.080999 9.504000 -1.357000
Si -27.153999 10.862000 -2.715000
Si -27.153999 13.577000 0.000000
Si -24.438999 10.862000 0.000000
Si -24.438999 13.577000 -2.715000
Si -25.796000 12.220000 -1.357000
Si -25.796000 14.935000 1.358000
Si -23.080999 12.220000 1.358000
Si -23.080999 14.935000 -1.357000
Si -27.153999 16.292999 -2.715000
Si -27.153999 19.007999 0.000000
Si -24.438999 16.292999 0.000000
Si -24.438999 19.007999 -2.715000
Si -25.796000 17.650999 -1.357000
Si -25.796000 20.365999 1.358000
Si -23.080999 17.650999 1.358000
Si -23.080999 20.365999 -1.357000
Si -27.153999 21.724001 -2.715000
Si -27.153999 24.438999 0.000000
Si -24.438999 21.724001 0.000000
Si -24.438999 24.438999 -2.715000
Si -25.796000 23.082001 -1.357000
Si -25.796000 25.797001 1.358000
Si -23.080999 23.082001 1.358000
Si -23.080999 25.797001 -1.357000
Si -27.153999 27.153999 -2.715000
Si -27.153999 29.870001 0.000000
Si -24.438999 27.153999 0.000000
Si -24.438999 29.870001 -2.715000
Si -25.796000 28.511999 -1.357000
Si -25.796000 31.226999 1.358000
Si -23.080999 28.511999 1.358000
Si -23.080999 31.226999 -1.357000
H -26.653000 32.084999 2.215000
H -24.938000 32.084000 0.501000
H -23.938000 32.084000 -0.500000
H -22.224001 32.084000 -2.214000
Si -21.724001 -32.584999 -2.715000
Si -21.724001 -29.870001 0.000000
Si -19.009001 -32.584999 0.000000
Si -19.009001 -29.870001 -2.715000
Si -20.365999 -31.226999 -1.357000
Si -20.365999 -28.511999 1.358000
Si -17.650999 -31.226999 1.358000
Si -17.650999 -28.511999 -1.357000
H -22.580999 -33.442001 -1.858000
H -20.867001 -33.442001 -3.572000
H -18.152000 -33.442001 -0.857000
H -19.865999 -33.442001 0.857000
Si -21.724001 -27.153999 -2.715000
Si -21.724001 -24.438999 0.000000
Si -19.009001 -27.153999 0.000000
Si -19.009001 -24.438999 -2.715000
Si -20.365999 -25.796000 -1.357000
Si -20.365999 -23.080999 1.358000
Si -17.650999 -25.796000 1.358000
Si -17.650999 -23.080999 -1.357000
Si -21.724001 -21.724001 -2.715000
Si -21.724001 -19.009001 0.000000
Si -19.009001 -21.724001 0.000000
Si -19.009001 -19.009001 -2.715000
Si -20.365999 -20.365999 -1.357000
Si -20.365999 -17.650999 1.358000
Si -17.650999 -20.365999 1.358000
Si -17.650999 -17.650999 -1.357000
Si -21.724001 -16.292999 -2.715000
Si -21.724001 -13.578000 0.000000
Si -19.009001 -16.292999 0.000000
Si -19.009001 -13.578000 -2.715000
Si -20.365999 -14.935000 -1.357000
Si -20.365999 -12.220000 1.358000
Si -17.650999 -14.935000 1.358000
Si -17.650999 -12.220000 -1.357000
Si -21.724001 -10.862000 -2.715000
Si -21.724001 -8.147000 0.000000
Si -19.009001 -10.862000 0.000000
Si -19.009001 -8.147000 -2.715000
Si -20.365999 -9.504000 -1.357000
Si -20.365999 -6.789000 1.358000
Si -17.650999 -9.504000 1.358000
Si -17.650999 -6.789000 -1.357000
Si -21.724001 -5.431000 -2.715000
Si -21.724001 -2.716000 0.000000
Si -19.009001 -5.431000 0.000000
Si -19.009001 -2.716000 -2.715000
Si -20.365999 -4.073000 -1.357000
Si -20.365999 -1.358000 1.358000
Si -17.650999 -4.073000 1.358000
Si -17.650999 -1.358000 -1.357000
Si -21.724001 0.000000 -2.715000
Si -21.724001 2.715000 0.000000
Si -19.009001 0.000000 0.000000
Si -19.009001 2.715000 -2.715000
Si -20.365999 1.358000 -1.357000
Si -20.365999 4.073000 1.358000
Si -17.650999 1.358000 1.358000
Si -17.650999 4.073000 -1.357000
Si -21.724001 5.431000 -2.715000
Si -21.724001 8.146000 0.000000
Si -19.009001 5.431000 0.000000
Si -19.009001 8.146000 -2.715000
Si -20.365999 6.789000 -1.357000
Si -20.365999 9.504000 1.358000
Si -17.650999 6.789000 1.358000
Si -17.650999 9.504000 -1.357000
Si -21.724001 10.862000 -2.715000
Si -21.724001 13.577000 0.000000
Si -19.009001 10.862000 0.000000
Si -19.009001 13.577000 -2.715000
Si -20.365999 12.220000 -1.357000
Si -20.365999 14.935000 1.358000
Si -17.650999 12.220000 1.358000
Si -17.650999 14.935000 -1.357000
Si -21.724001 16.292999 -2.715000
Si -21.724001 19.007999 0.000000
Si -19.009001 16.292999 0.000000
Si -19.009001 19.007999 -2.715000
Si -20.365999 17.650999 -1.357000
Si -20.365999 20.365999 1.358000
Si -17.650999 17.650999 1.358000
Si -17.650999 20.365999 -1.357000
Si -21.724001 21.724001 -2.715000
Si -21.724001 24.438999 0.000000
Si -19.009001 21.724001 0.000000
Si -19.009001 24.438999 -2.715000
Si -20.365999 23.082001 -1.357000
Si -20.365999 25.797001 1.358000
Si -17.650999 23.082001 1.358000
Si -17.650999 25.797001 -1.357000
Si -21.724001 27.153999 -2.715000
Si -21.724001 29.870001 0.000000
Si -19.009001 27.153999 0.000000
Si -19.009001 29.870001 -2.715000
Si -20.365999 28.511999 -1.357000
Si -20.365999 31.226999 1.358000
Si -17.650999 28.511999 1.358000
Si -17.650999 31.226999 -1.357000
H -21.223000 32.084999 2.215000
H -19.507999 32.084000 0.501000
H -18.507999 32.084000 -0.499000
H -16.794001 32.084999 -2.214000
Si -16.292999 -32.584999 -2.715000
Si -16.292999 -29.870001 0.000000
Si -13.578000 -32.584999 0.000000
Si -13.578000 -29.870001 -2.715000
Si -14.935000 -31.226999 -1.357000
Si -14.935000 -28.511999 1.358000
Si -12.220000 -31.226999 1.358000
Si -12.220000 -28.511999 -1.357000
H -17.150000 -33.442001 -1.858000
H -15.436000 -33.442001 -3.572000
H -12.721000 -33.442001 -0.857000
H -14.435000 -33.442001 0.857000
Si -16.292999 -27.153999 -2.715000
Si -16.292999 -24.438999 0.000000
Si -13.578000 -27.153999 0.000000
Si -13.578000 -24.438999 -2.715000
Si -14.935000 -25.796000 -1.357000
Si -14.935000 -23.080999 1.358000
Si -12.220000 -25.796000 1.358000
Si -12.220000 -23.080999 -1.357000
Si -16.292999 -21.724001 -2.715000
Si -16.292999 -19.009001 0.000000
Si -13.578000 -21.724001 0.000000
Si -13.578000 -19.009001 -2.715000
Si -14.935000 -20.365999 -1.357000
Si -14.935000 -17.650999 1.358000
Si -12.220000 -20.365999 1.358000
Si -12.220000 -17.650999 -1.357000
Si -16.292999 -16.292999 -2.715000
Si -16.292999 -13.578000 0.000000
Si -13.578000 -16.292999 0.000000
Si -13.578000 -13.578000 -2.715000
Si -14.935000 -14.935000 -1.357000
Si -14.935000 -12.220000 1.358000
Si -12.220000 -14.935000 1.358000
Si -12.220000 -12.220000 -1.357000
Si -16.292999 -10.862000 -2.715000
Si -16.292999 -8.147000 0.000000
Si -13.578000 -10.862000 0.000000
Si -13.578000 -8.147000 -2.715000
Si -14.935000 -9.504000 -1.357000
Si -14.935000 -6.789000 1.358000
Si -12.220000 -9.504000 1.358000
Si -12.220000 -6.789000 -1.357000
Si -16.292999 -5.431000 -2.715000
Si -16.292999 -2.716000 0.000000
Si -13.578000 -5.431000 0.000000
Si -13.578000 -2.716000 -2.715000
Si -14.935000 -4.073000 -1.357000
Si -14.935000 -1.358000 1.358000
Si -12.220000 -4.073000 1.358000
Si -12.220000 -1.358000 -1.357000
Si -16.292999 0.000000 -2.715000
Si -16.292999 2.715000 0.000000
Si -13.578000 0.000000 0.000000
Si -13.578000 2.715000 -2.715000
Si -14.935000 1.358000 -1.357000
Si -14.935000 4.073000 1.358000
Si -12.220000 1.358000 1.358000
Si -12.220000 4.073000 -1.357000
Si -16.292999 5.431000 -2.715000
Si -16.292999 8.146000 0.000000
Si -13.578000 5.431000 0.000000
Si -13.578000 8.146000 -2.715000
Si -14.935000 6.789000 -1.357000
Si -14.935000 9.504000 1.358000
Si -12.220000 6.789000 1.358000
Si -12.220000 9.504000 -1.357000
Si -16.292999 10.862000 -2.715000
Si -16.292999 13.577000 0.000000
Si -13.578000 10.862000 0.000000
Si -13.578000 13.577000 -2.715000
Si -14.935000 12.220000 -1.357000
Si -14.935000 14.935000 1.358000
Si -12.220000 12.220000 1.358000
Si -12.220000 14.935000 -1.357000
Si -16.292999 16.292999 -2.715000
Si -16.292999 19.007999 0.000000
Si -13.578000 16.292999 0.000000
Si -13.578000 19.007999 -2.715000
Si -14.935000 17.650999 -1.357000
Si -14.935000 20.365999 1.358000
Si -12.220000 17.650999 1.358000
Si -12.220000 20.365999 -1.357000
Si -16.292999 21.724001 -2.715000
Si -16.292999 24.438999 0.000000
Si -13.578000 21.724001 0.000000
Si -13.578000 24.438999 -2.715000
Si -14.935000 23.082001 -1.357000
Si -14.935000 25.797001 1.358000
Si -12.220000 23.082001 1.358000
Si -12.220000 25.797001 -1.357000
Si -16.292999 27.153999 -2.715000
Si -16.292999 29.870001 0.000000
Si -13.578000 27.153999 0.000000
Si -13.578000 29.870001 -2.715000
Si -14.935000 28.511999 -1.357000
Si -14.935000 31.226999 1.358000
Si -12.220000 28.511999 1.358000
Si -12.220000 31.226999 -1.357000
H -15.792000 32.084999 2.215000
H -14.077000 32.084000 0.501000
H -13.077000 32.084000 -0.499000
H -11.363000 32.084999 -2.214000
Si -10.862000 -32.584999 -2.715000
Si -10.862000 -29.870001 0.000000
Si -8.147000 -32.584999 0.000000
Si -8.147000 -29.870001 -2.715000
Si -9.504000 -31.226999 -1.357000
Si -9.504000 -28.511999 1.358000
Si -6.789000 -31.226999 1.358000
Si -6.789000 -28.511999 -1.357000
H -11.719000 -33.442001 -1.858000
H -10.005000 -33.442001 -3.572000
H -7.290000 -33.442001 -0.857000
H -9.004000 -33.442001 0.857000
Si -10.862000 -27.153999 -2.715000
Si -10.862000 -24.438999 0.000000
Si -8.147000 -27.153999 0.000000
Si -8.147000 -24.438999 -2.715000
Si -9.504000 -25.796000 -1.357000
Si -9.504000 -23.080999 1.358000
Si -6.789000 -25.796000 1.358000
Si -6.789000 -23.080999 -1.357000
Si -10.862000 -21.724001 -2.715000
Si -10.862000 -19.009001 0.000000
Si -8.147000 -21.724001 0.000000
Si -8.147000 -19.009001 -2.715000
Si -9.504000 -20.365999 -1.357000
Si -9.504000 -17.650999 1.358000
Si -6.789000 -20.365999 1.358000
Si -6.789000 -17.650999 -1.357000
Si -10.862000 -16.292999 -2.715000
Si -10.862000 -13.578000 0.000000
Si -8.147000 -16.292999 0.000000
Si -8.147000 -13.578000 -2.715000
Si -9.504000 -14.935000 -1.357000
Si -9.504000 -12.220000 1.358000
Si -6.789000 -14.935000 1.358000
Si -6.789000 -12.220000 -1.357000
Si -10.862000 -10.862000 -2.715000
Si -10.862000 -8.147000 0.000000
Si -8.147000 -10.862000 0.000000
Si -8.147000 -8.147000 -2.715000
Si -9.504000 -9.504000 -1.357000
Si -9.504000 -6.789000 1.358000
Si -6.789000 -9.504000 1.358000
Si -6.789000 -6.789000 -1.357000
Si -10.862000 -5.431000 -2.715000
Si -10.862000 -2.716000 0.000000
Si -8.147000 -5.431000 0.000000
Si -8.147000 -2.716000 -2.715000
Si -9.504000 -4.073000 -1.357000
Si -9.504000 -1.358000 1.358000
Si -6.789000 -4.073000 1.358000
Si -6.789000 -1.358000 -1.357000
Si -10.862000 0.000000 -2.715000
Si -10.862000 2.715000 0.000000
Si -8.147000 0.000000 0.000000
Si -8.147000 2.715000 -2.715000
Si -9.504000 1.358000 -1.357000
Si -9.504000 4.073000 1.358000
Si -6.789000 1.358000 1.358000
Si -6.789000 4.073000 -1.357000
Si -10.862000 5.431000 -2.715000
Si -10.862000 8.146000 0.000000
Si -8.147000 5.431000 0.000000
Si -8.147000 8.146000 -2.715000
Si -9.504000 6.789000 -1.357000
Si -9.504000 9.504000 1.358000
Si -6.789000 6.789000 1.358000
Si -6.789000 9.504000 -1.357000
Si -10.862000 10.862000 -2.715000
Si -10.862000 13.577000 0.000000
Si -8.147000 10.862000 0.000000
Si -8.147000 13.577000 -2.715000
Si -9.504000 12.220000 -1.357000
Si -9.504000 14.935000 1.358000
Si -6.789000 12.220000 1.358000
Si -6.789000 14.935000 -1.357000
Si -10.862000 16.292999 -2.715000
Si -10.862000 19.007999 0.000000
Si -8.147000 16.292999 0.000000
Si -8.147000 19.007999 -2.715000
Si -9.504000 17.650999 -1.357000
Si -9.504000 20.365999 1.358000
Si -6.789000 17.650999 1.358000
Si -6.789000 20.365999 -1.357000
Si -10.862000 21.724001 -2.715000
Si -10.862000 24.438999 0.000000
Si -8.147000 21.724001 0.000000
Si -8.147000 24.438999 -2.715000
Si -9.504000 23.082001 -1.357000
Si -9.504000 25.797001 1.358000
Si -6.789000 23.082001 1.358000
Si -6.789000 25.797001 -1.357000
Si -10.862000 27.153999 -2.715000
Si -10.862000 29.870001 0.000000
Si -8.147000 27.153999 0.000000
Si -8.147000 29.870001 -2.715000
Si -9.504000 28.511999 -1.357000
Si -9.504000 31.226999 1.358000
Si -6.789000 28.511999 1.358000
Si -6.789000 31.226999 -1.357000
H -10.361000 32.084999 2.215000
H -8.646000 32.084000 0.501000
H -7.646000 32.084000 -0.499000
H -5.932000 32.084999 -2.214000
Si -5.431000 -32.584999 -2.715000
Si -5.431000 -29.870001 0.000000
Si -2.716000 -32.584999 0.000000
Si -2.716000 -29.870001 -2.715000
Si -4.073000 -31.226999 -1.357000
Si -4.073000 -28.511999 1.358000
Si -1.358000 -31.226999 1.358000
Si -1.358000 -28.511999 -1.357000
H -6.288000 -33.442001 -1.858000
H -4.574000 -33.442001 -3.572000
H -1.859000 -33.442001 -0.857000
H -3.573000 -33.442001 0.857000
Si -5.431000 -27.153999 -2.715000
Si -5.431000 -24.438999 0.000000
Si -2.716000 -27.153999 0.000000
Si -2.716000 -24.438999 -2.715000
Si -4.073000 -25.796000 -1.357000
Si -4.073000 -23.080999 1.358000
Si -1.358000 -25.796000 1.358000
Si -1.358000 -23.080999 -1.357000
Si -5.431000 -21.724001 -2.715000
Si -5.431000 -19.009001 0.000000
Si -2.716000 -21.724001 0.000000
Si -2.716000 -19.009001 -2.715000
Si -4.073000 -20.365999 -1.357000
Si -4.073000 -17.650999 1.358000
Si -1.358000 -20.365999 1.358000
Si -1.358000 -17.650999 -1.357000
Si -5.431000 -16.292999 -2.715000
Si -5.431000 -13.578000 0.000000
Si -2.716000 -16.292999 0.000000
Si -2.716000 -13.578000 -2.715000
Si -4.073000 -14.935000 -1.357000
Si -4.073000 -12.220000 1.358000
Si -1.358000 -14.935000 1.358000
Si -1.358000 -12.220000 -1.357000
Si -5.431000 -10.862000 -2.715000
Si -5.431000 -8.147000 0.000000
Si -2.716000 -10.862000 0.000000
Si -2.716000 -8.147000 -2.715000
Si -4.073000 -9.504000 -1.357000
Si -4.073000 -6.789000 1.358000
Si -1.358000 -9.504000 1.358000
Si -1.358000 -6.789000 -1.357000
Si -5.431000 -5.431000 -2.715000
Si -5.431000 -2.716000 0.000000
Si -2.716000 -5.431000 0.000000
Si -2.716000 -2.716000 -2.715000
Si -4.073000 -4.073000 -1.357000
Si -4.073000 -1.358000 1.358000
Si -1.358000 -4.073000 1.358000
Si -1.358000 -1.358000 -1.357000
Si -5.431000 0.000000 -2.715000
Si -5.431000 2.715000 0.000000
Si -2.716000 0.000000 0.000000
Si -2.716000 2.715000 -2.715000
Si -4.073000 1.358000 -1.357000
Si -4.073000 4.073000 1.358000
Si -1.358000 1.358000 1.358000
Si -1.358000 4.073000 -1.357000
Si -5.431000 5.431000 -2.715000
Si -5.431000 8.146000 0.000000
Si -2.716000 5.431000 0.000000
Si -2.716000 8.146000 -2.715000
Si -4.073000 6.789000 -1.357000
Si -4.073000 9.504000 1.358000
Si -1.358000 6.789000 1.358000
Si -1.358000 9.504000 -1.357000
Si -5.431000 10.862000 -2.715000
Si -5.431000 13.577000 0.000000
Si -2.716000 10.862000 0.000000
Si -2.716000 13.577000 -2.715000
Si -4.073000 12.220000 -1.357000
Si -4.073000 14.935000 1.358000
Si -1.358000 12.220000 1.358000
Si -1.358000 14.935000 -1.357000
Si -5.431000 16.292999 -2.715000
Si -5.431000 19.007999 0.000000
Si -2.716000 16.292999 0.000000
Si -2.716000 19.007999 -2.715000
Si -4.073000 17.650999 -1.357000
Si -4.073000 20.365999 1.358000
Si -1.358000 17.650999 1.358000
Si -1.358000 20.365999 -1.357000
Si -5.431000 21.724001 -2.715000
Si -5.431000 24.438999 0.000000
Si -2.716000 21.724001 0.000000
Si -2.716000 24.438999 -2.715000
Si -4.073000 23.082001 -1.357000
Si -4.073000 25.797001 1.358000
Si -1.358000 23.082001 1.358000
Si -1.358000 25.797001 -1.357000
Si -5.431000 27.153999 -2.715000
Si -5.431000 29.870001 0.000000
Si -2.716000 27.153999 0.000000
Si -2.716000 29.870001 -2.715000
Si -4.073000 28.511999 -1.357000
Si -4.073000 31.226999 1.358000
Si -1.358000 28.511999 1.358000
Si -1.358000 31.226999 -1.357000
H -4.930000 32.084999 2.215000
H -3.215000 32.084000 0.501000
H -2.215000 32.084000 -0.499000
H -0.501000 32.084999 -2.214000
Si 0.000000 -32.584999 -2.715000
Si 0.000000 -29.870001 0.000000
Si 2.715000 -32.584999 0.000000
Si 2.715000 -29.870001 -2.715000
Si 1.358000 -31.226999 -1.357000
Si 1.358000 -28.511999 1.358000
Si 4.073000 -31.226999 1.358000
Si 4.073000 -28.511999 -1.357000
H -0.857000 -33.442001 -1.858000
H 0.857000 -33.442001 -3.572000
H 3.572000 -33.442001 -0.857000
H 1.858000 -33.442001 0.857000
Si 0.000000 -27.153999 -2.715000
Si 0.000000 -24.438999 0.000000
Si 2.715000 -27.153999 0.000000
Si 2.715000 -24.438999 -2.715000
Si 1.358000 -25.796000 -1.357000
Si 1.358000 -23.080999 1.358000
Si 4.073000 -25.796000 1.358000
Si 4.073000 -23.080999 -1.357000
Si 0.000000 -21.724001 -2.715000
Si 0.000000 -19.009001 0.000000
Si 2.715000 -21.724001 0.000000
Si 2.715000 -19.009001 -2.715000
Si 1.358000 -20.365999 -1.357000
Si 1.358000 -17.650999 1.358000
Si 4.073000 -20.365999 1.358000
Si 4.073000 -17.650999 -1.357000
Si 0.000000 -16.292999 -2.715000
Si 0.000000 -13.578000 0.000000
Si 2.715000 -16.292999 0.000000
Si 2.715000 -13.578000 -2.715000
Si 1.358000 -14.935000 -1.357000
Si 1.358000 -12.220000 1.358000
Si 4.073000 -14.935000 1.358000
Si 4.073000 -12.220000 -1.357000
Si 0.000000 -10.862000 -2.715000
Si 0.000000 -8.147000 0.000000
Si 2.715000 -10.862000 0.000000
Si 2.715000 -8.147000 -2.715000
Si 1.358000 -9.504000 -1.357000
Si 1.358000 -6.789000 1.358000
Si 4.073000 -9.504000 1.358000
Si 4.073000 -6.789000 -1.357000
Si 0.000000 -5.431000 -2.715000
Si 0.000000 -2.716000 0.000000
Si 2.715000 -5.431000 0.000000
Si 2.715000 -2.716000 -2.715000
Si 1.358000 -4.073000 -1.357000
Si 1.358000 -1.358000 1.358000
Si 4.073000 -4.073000 1.358000
Si 4.073000 -1.358000 -1.357000
Si 0.000000 0.000000 -2.715000
Si 0.000000 2.715000 0.000000
Si 2.715000 0.000000 0.000000
Si 2.715000 2.715000 -2.715000
Si 1.358000 1.358000 -1.357000
Si 1.358000 4.073000 1.358000
Si 4.073000 1.358000 1.358000
Si 4.073000 4.073000 -1.357000
Si 0.000000 5.431000 -2.715000
Si 0.000000 8.146000 0.000000
Si 2.715000 5.431000 0.000000
Si 2.715000 8.146000 -2.715000
Si 1.358000 6.789000 -1.357000
Si 1.358000 9.504000 1.358000
Si 4.073000 6.789000 1.358000
Si 4.073000 9.504000 -1.357000
Si 0.000000 10.862000 -2.715000
Si 0.000000 13.577000 0.000000
Si 2.715000 10.862000 0.000000
Si 2.715000 13.577000 -2.715000
Si 1.358000 12.220000 -1.357000
Si 1.358000 14.935000 1.358000
Si 4.073000 12.220000 1.358000
Si 4.073000 14.935000 -1.357000
Si 0.000000 16.292999 -2.715000
Si 0.000000 19.007999 0.000000
Si 2.715000 16.292999 0.000000
Si 2.715000 19.007999 -2.715000
Si 1.358000 17.650999 -1.357000
Si 1.358000 20.365999 1.358000
Si 4.073000 17.650999 1.358000
Si 4.073000 20.365999 -1.357000
Si 0.000000 21.724001 -2.715000
Si 0.000000 24.438999 0.000000
Si 2.715000 21.724001 0.000000
Si 2.715000 24.438999 -2.715000
Si 1.358000 23.082001 -1.357000
Si 1.358000 25.797001 1.358000
Si 4.073000 23.082001 1.358000
Si 4.073000 25.797001 -1.357000
Si 0.000000 27.153999 -2.715000
Si 0.000000 29.870001 0.000000
Si 2.715000 27.153999 0.000000
Si 2.715000 29.870001 -2.715000
Si 1.358000 28.511999 -1.357000
Si 1.358000 31.226999 1.358000
Si 4.073000 28.511999 1.358000
Si 4.073000 31.226999 -1.357000
H 0.501000 32.084999 2.215000
H 2.216000 32.084000 0.501000
H 3.216000 32.084000 -0.499000
H 4.930000 32.084999 -2.214000
Si 5.431000 -32.584999 -2.715000
Si 5.431000 -29.870001 0.000000
Si 8.146000 -32.584999 0.000000
Si 8.146000 -29.870001 -2.715000
Si 6.789000 -31.226999 -1.357000
Si 6.789000 -28.511999 1.358000
Si 9.504000 -31.226999 1.358000
Si 9.504000 -28.511999 -1.357000
H 4.574000 -33.442001 -1.858000
H 6.288000 -33.442001 -3.572000
H 9.003000 -33.442001 -0.857000
H 7.289000 -33.442001 0.857000
Si 5.431000 -27.153999 -2.715000
Si 5.431000 -24.438999 0.000000
Si 8.146000 -27.153999 0.000000
Si 8.146000 -24.438999 -2.715000
Si 6.789000 -25.796000 -1.357000
Si 6.789000 -23.080999 1.358000
Si 9.504000 -25.796000 1.358000
Si 9.504000 -23.080999 -1.357000
Si 5.431000 -21.724001 -2.715000
Si 5.431000 -19.009001 0.000000
Si 8.146000 -21.724001 0.000000
Si 8.146000 -19.009001 -2.715000
Si 6.789000 -20.365999 -1.357000
Si 6.789000 -17.650999 1.358000
Si 9.504000 -20.365999 1.358000
Si 9.504000 -17.650999 -1.357000
Si 5.431000 -16.292999 -2.715000
Si 5.431000 -13.578000 0.000000
Si 8.146000 -16.292999 0.000000
Si 8.146000 -13.578000 -2.715000
Si 6.789000 -14.935000 -1.357000
Si 6.789000 -12.220000 1.358000
Si 9.504000 -14.935000 1.358000
Si 9.504000 -12.220000 -1.357000
Si 5.431000 -10.862000 -2.715000
Si 5.431000 -8.147000 0.000000
Si 8.146000 -10.862000 0.000000
Si 8.146000 -8.147000 -2.715000
Si 6.789000 -9.504000 -1.357000
Si 6.789000 -6.789000 1.358000
Si 9.504000 -9.504000 1.358000
Si 9.504000 -6.789000 -1.357000
Si 5.431000 -5.431000 -2.715000
Si 5.431000 -2.716000 0.000000
Si 8.146000 -5.431000 0.000000
Si 8.146000 -2.716000 -2.715000
Si 6.789000 -4.073000 -1.357000
Si 6.789000 -1.358000 1.358000
Si 9.504000 -4.073000 1.358000
Si 9.504000 -1.358000 -1.357000
Si 5.431000 0.000000 -2.715000
Si 5.431000 2.715000 0.000000
Si 8.146000 0.000000 0.000000
Si 8.146000 2.715000 -2.715000
Si 6.789000 1.358000 -1.357000
Si 6.789000 4.073000 1.358000
Si 9.504000 1.358000 1.358000
Si 9.504000 4.073000 -1.357000
Si 5.431000 5.431000 -2.715000
Si 5.431000 8.146000 0.000000
Si 8.146000 5.431000 0.000000
Si 8.146000 8.146000 -2.715000
Si 6.789000 6.789000 -1.357000
Si 6.789000 9.504000 1.358000
Si 9.504000 6.789000 1.358000
Si 9.504000 9.504000 -1.357000
Si 5.431000 10.862000 -2.715000
Si 5.431000 13.577000 0.000000
Si 8.146000 10.862000 0.000000
Si 8.146000 13.577000 -2.715000
Si 6.789000 12.220000 -1.357000
Si 6.789000 14.935000 1.358000
Si 9.504000 12.220000 1.358000
Si 9.504000 14.935000 -1.357000
Si 5.431000 16.292999 -2.715000
Si 5.431000 19.007999 0.000000
Si 8.146000 16.292999 0.000000
Si 8.146000 19.007999 -2.715000
Si 6.789000 17.650999 -1.357000
Si 6.789000 20.365999 1.358000
Si 9.504000 17.650999 1.358000
Si 9.504000 20.365999 -1.357000
Si 5.431000 21.724001 -2.715000
Si 5.431000 24.438999 0.000000
Si 8.146000 21.724001 0.000000
Si 8.146000 24.438999 -2.715000
Si 6.789000 23.082001 -1.357000
Si 6.789000 25.797001 1.358000
Si 9.504000 23.082001 1.358000
Si 9.504000 25.797001 -1.357000
Si 5.431000 27.153999 -2.715000
Si 5.431000 29.870001 0.000000
Si 8.146000 27.153999 0.000000
Si 8.146000 29.870001 -2.715000
Si 6.789000 28.511999 -1.357000
Si 6.789000 31.226999 1.358000
Si 9.504000 28.511999 1.358000
Si 9.504000 31.226999 -1.357000
H 5.932000 32.084999 2.215000
H 7.647000 32.084000 0.501000
H 8.647000 32.084000 -0.499000
H 10.361000 32.084999 -2.214000
Si 10.862000 -32.584999 -2.715000
Si 10.862000 -29.870001 0.000000
Si 13.577000 -32.584999 0.000000
Si 13.577000 -29.870001 -2.715000
Si 12.220000 -31.226999 -1.357000
Si 12.220000 -28.511999 1.358000
Si 14.935000 -31.226999 1.358000
Si 14.935000 -28.511999 -1.357000
H 10.005000 -33.442001 -1.858000
H 11.719000 -33.442001 -3.572000
H 14.434000 -33.442001 -0.857000
H 12.720000 -33.442001 0.857000
Si 10.862000 -27.153999 -2.715000
Si 10.862000 -24.438999 0.000000
Si 13.577000 -27.153999 0.000000
Si 13.577000 -24.438999 -2.715000
Si 12.220000 -25.796000 -1.357000
Si 12.220000 -23.080999 1.358000
Si 14.935000 -25.796000 1.358000
Si 14.935000 -23.080999 -1.357000
Si 10.862000 -21.724001 -2.715000
Si 10.862000 -19.009001 0.000000
Si 13.577000 -21.724001 0.000000
Si 13.577000 -19.009001 -2.715000
Si 12.220000 -20.365999 -1.357000
Si 12.220000 -17.650999 1.358000
Si 14.935000 -20.365999 1.358000
Si 14.935000 -17.650999 -1.357000
Si 10.862000 -16.292999 -2.715000
Si 10.862000 -13.578000 0.000000
Si 13.577000 -16.292999 0.000000
Si 13.577000 -13.578000 -2.715000
Si 12.220000 -14.935000 -1.357000
Si 12.220000 -12.220000 1.358000
Si 14.935000 -14.935000 1.358000
Si 14.935000 -12.220000 -1.357000
Si 10.862000 -10.862000 -2.715000
Si 10.862000 -8.147000 0.000000
Si 13.577000 -10.862000 0.000000
Si 13.577000 -8.147000 -2.715000
Si 12.220000 -9.504000 -1.357000
Si 12.220000 -6.789000 1.358000
Si 14.935000 -9.504000 1.358000
Si 14.935000 -6.789000 -1.357000
Si 10.862000 -5.431000 -2.715000
Si 10.862000 -2.716000 0.000000
Si 13.577000 -5.431000 0.000000
Si 13.577000 -2.716000 -2.715000
Si 12.220000 -4.073000 -1.357000
Si 12.220000 -1.358000 1.358000
Si 14.935000 -4.073000 1.358000
Si 14.935000 -1.358000 -1.357000
Si 10.862000 0.000000 -2.715000
Si 10.862000 2.715000 0.000000
Si 13.577000 0.000000 0.000000
Si 13.577000 2.715000 -2.715000
Si 12.220000 1.358000 -1.357000
Si 12.220000 4.073000 1.358000
Si 14.935000 1.358000 1.358000
Si 14.935000 4.073000 -1.357000
Si 10.862000 5.431000 -2.715000
Si 10.862000 8.146000 0.000000
Si 13.577000 5.431000 0.000000
Si 13.577000 8.146000 -2.715000
Si 12.220000 6.789000 -1.357000
Si 12.220000 9.504000 1.358000
Si 14.935000 6.789000 1.358000
Si 14.935000 9.504000 -1.357000
Si 10.862000 10.862000 -2.715000
Si 10.862000 13.577000 0.000000
Si 13.577000 10.862000 0.000000
Si 13.577000 13.577000 -2.715000
Si 12.220000 12.220000 -1.357000
Si 12.220000 14.935000 1.358000
Si 14.935000 12.220000 1.358000
Si 14.935000 14.935000 -1.357000
Si 10.862000 16.292999 -2.715000
Si 10.862000 19.007999 0.000000
Si 13.577000 16.292999 0.000000
Si 13.577000 19.007999 -2.715000
Si 12.220000 17.650999 -1.357000
Si 12.220000 20.365999 1.358000
Si 14.935000 17.650999 1.358000
Si 14.935000 20.365999 -1.357000
Si 10.862000 21.724001 -2.715000
Si 10.862000 24.438999 0.000000
Si 13.577000 21.724001 0.000000
Si 13.577000 24.438999 -2.715000
Si 12.220000 23.082001 -1.357000
Si 12.220000 25.797001 1.358000
Si 14.935000 23.082001 1.358000
Si 14.935000 25.797001 -1.357000
Si 10.862000 27.153999 -2.715000
Si 10.862000 29.870001 0.000000
Si 13.577000 27.153999 0.000000
Si 13.577000 29.870001 -2.715000
Si 12.220000 28.511999 -1.357000
Si 12.220000 31.226999 1.358000
Si 14.935000 28.511999 1.358000
Si 14.935000 31.226999 -1.357000
H 11.363000 32.084999 2.215000
H 13.078000 32.084000 0.501000
H 14.078000 32.084000 -0.499000
H 15.792000 32.084999 -2.214000
Si 16.292999 -32.584999 -2.715000
Si 16.292999 -29.870001 0.000000
Si 19.007999 -32.584999 0.000000
Si 19.007999 -29.870001 -2.715000
Si 17.650999 -31.226999 -1.357000
Si 17.650999 -28.511999 1.358000
Si 20.365999 -31.226999 1.358000
Si 20.365999 -28.511999 -1.357000
H 15.436000 -33.442001 -1.858000
H 17.150000 -33.442001 -3.572000
H 19.865000 -33.442001 -0.857000
H 18.150999 -33.442001 0.857000
Si 16.292999 -27.153999 -2.715000
Si 16.292999 -24.438999 0.000000
Si 19.007999 -27.153999 0.000000
Si 19.007999 -24.438999 -2.715000
Si 17.650999 -25.796000 -1.357000
Si 17.650999 -23.080999 1.358000
Si 20.365999 -25.796000 1.358000
Si 20.365999 -23.080999 -1.357000
Si 16.292999 -21.724001 -2.715000
Si 16.292999 -19.009001 0.000000
Si 19.007999 -21.724001 0.000000
Si 19.007999 -19.009001 -2.715000
Si 17.650999 -20.365999 -1.357000
Si 17.650999 -17.650999 1.358000
Si 20.365999 -20.365999 1.358000
Si 20.365999 -17.650999 -1.357000
Si 16.292999 -16.292999 -2.715000
Si 16.292999 -13.578000 0.000000
Si 19.007999 -16.292999 0.000000
Si 19.007999 -13.578000 -2.715000
Si 17.650999 -14.935000 -1.357000
Si 17.650999 -12.220000 1.358000
Si 20.365999 -14.935000 1.358000
Si 20.365999 -12.220000 -1.357000
Si 16.292999 -10.862000 -2.715000
Si 16.292999 -8.147000 0.000000
Si 19.007999 -10.862000 0.000000
Si 19.007999 -8.147000 -2.715000
Si 17.650999 -9.504000 -1.357000
Si 17.650999 -6.789000 1.358000
Si 20.365999 -9.504000 1.358000
Si 20.365999 -6.789000 -1.357000
Si 16.292999 -5.431000 -2.715000
Si 16.292999 -2.716000 0.000000
Si 19.007999 -5.431000 0.000000
Si 19.007999 -2.716000 -2.715000
Si 17.650999 -4.073000 -1.357000
Si 17.650999 -1.358000 1.358000
Si 20.365999 -4.073000 1.358000
Si 20.365999 -1.358000 -1.357000
Si 16.292999 0.000000 -2.715000
Si 16.292999 2.715000 0.000000
Si 19.007999 0.000000 0.000000
Si 19.007999 2.715000 -2.715000
Si 17.650999 1.358000 -1.357000
Si 17.650999 4.073000 1.358000
Si 20.365999 1.358000 1.358000
Si 20.365999 4.073000 -1.357000
Si 16.292999 5.431000 -2.715000
Si 16.292999 8.146000 0.000000
Si 19.007999 5.431000 0.000000
Si 19.007999 8.146000 -2.715000
Si 17.650999 6.789000 -1.357000
Si 17.650999 9.504000 1.358000
Si 20.365999 6.789000 1.358000
Si 20.365999 9.504000 -1.357000
Si 16.292999 10.862000 -2.715000
Si 16.292999 13.577000 0.000000
Si 19.007999 10.862000 0.000000
Si 19.007999 13.577000 -2.715000
Si 17.650999 12.220000 -1.357000
Si 17.650999 14.935000 1.358000
Si 20.365999 12.220000 1.358000
Si 20.365999 14.935000 -1.357000
Si 16.292999 16.292999 -2.715000
Si 16.292999 19.007999 0.000000
Si 19.007999 16.292999 0.000000
Si 19.007999 19.007999 -2.715000
Si 17.650999 17.650999 -1.357000
Si 17.650999 20.365999 1.358000
Si 20.365999 17.650999 1.358000
Si 20.365999 20.365999 -1.357000
Si 16.292999 21.724001 -2.715000
Si 16.292999 24.438999 0.000000
Si 19.007999 21.724001 0.000000
Si 19.007999 24.438999 -2.715000
Si 17.650999 23.082001 -1.357000
Si 17.650999 25.797001 1.358000
Si 20.365999 23.082001 1.358000
Si 20.365999 25.797001 -1.357000
Si 16.292999 27.153999 -2.715000
Si 16.292999 29.870001 0.000000
Si 19.007999 27.153999 0.000000
Si 19.007999 29.870001 -2.715000
Si 17.650999 28.511999 -1.357000
Si 17.650999 31.226999 1.358000
Si 20.365999 28.511999 1.358000
Si 20.365999 31.226999 -1.357000
H 16.794001 32.084999 2.215000
H 18.509001 32.084000 0.501000
H 19.509001 32.084000 -0.499000
H 21.223000 32.084999 -2.214000
Si 21.724001 -32.584999 -2.715000
Si 21.724001 -29.870001 0.000000
Si 24.438999 -32.584999 0.000000
Si 24.438999 -29.870001 -2.715000
Si 23.082001 -31.226999 -1.357000
Si 23.082001 -28.511999 1.358000
Si 25.797001 -31.226999 1.358000
Si 25.797001 -28.511999 -1.357000
H 20.867001 -33.442001 -1.858000
H 22.580999 -33.442001 -3.572000
H 25.296000 -33.442001 -0.857000
H 23.582001 -33.442001 0.857000
Si 21.724001 -27.153999 -2.715000
Si 21.724001 -24.438999 0.000000
Si 24.438999 -27.153999 0.000000
Si 24.438999 -24.438999 -2.715000
Si 23.082001 -25.796000 -1.357000
Si 23.082001 -23.080999 1.358000
Si 25.797001 -25.796000 1.358000
Si 25.797001 -23.080999 -1.357000
Si 21.724001 -21.724001 -2.715000
Si 21.724001 -19.009001 0.000000
Si 24.438999 -21.724001 0.000000
Si 24.438999 -19.009001 -2.715000
Si 23.082001 -20.365999 -1.357000
Si 23.082001 -17.650999 1.358000
Si 25.797001 -20.365999 1.358000
Si 25.797001 -17.650999 -1.357000
Si 21.724001 -16.292999 -2.715000
Si 21.724001 -13.578000 0.000000
Si 24.438999 -16.292999 0.000000
Si 24.438999 -13.578000 -2.715000
Si 23.082001 -14.935000 -1.357000
Si 23.082001 -12.220000 1.358000
Si 25.797001 -14.935000 1.358000
Si 25.797001 -12.220000 -1.357000
Si 21.724001 -10.862000 -2.715000
Si 21.724001 -8.147000 0.000000
Si 24.438999 -10.862000 0.000000
Si 24.438999 -8.147000 -2.715000
Si 23.082001 -9.504000 -1.357000
Si 23.082001 -6.789000 1.358000
Si 25.797001 -9.504000 1.358000
Si 25.797001 -6.789000 -1.357000
Si 21.724001 -5.431000 -2.715000
Si 21.724001 -2.716000 0.000000
Si 24.438999 -5.431000 0.000000
Si 24.438999 -2.716000 -2.715000
Si 23.082001 -4.073000 -1.357000
Si 23.082001 -1.358000 1.358000
Si 25.797001 -4.073000 1.358000
Si 25.797001 -1.358000 -1.357000
Si 21.724001 0.000000 -2.715000
Si 21.724001 2.715000 0.000000
Si 24.438999 0.000000 0.000000
Si 24.438999 2.715000 -2.715000
Si 23.082001 1.358000 -1.357000
Si 23.082001 4.073000 1.358000
Si 25.797001 1.358000 1.358000
Si 25.797001 4.073000 -1.357000
Si 21.724001 5.431000 -2.715000
Si 21.724001 8.146000 0.000000
Si 24.438999 5.431000 0.000000
Si 24.438999 8.146000 -2.715000
Si 23.082001 6.789000 -1.357000
Si 23.082001 9.504000 1.358000
Si 25.797001 6.789000 1.358000
Si 25.797001 9.504000 -1.357000
Si 21.724001 10.862000 -2.715000
Si 21.724001 13.577000 0.000000
Si 24.438999 10.862000 0.000000
Si 24.438999 13.577000 -2.715000
Si 23.082001 12.220000 -1.357000
Si 23.082001 14.935000 1.358000
Si 25.797001 12.220000 1.358000
Si 25.797001 14.935000 -1.357000
Si 21.724001 16.292999 -2.715000
Si 21.724001 19.007999 0.000000
Si 24.438999 16.292999 0.000000
Si 24.438999 19.007999 -2.715000
Si 23.082001 17.650999 -1.357000
Si 23.082001 20.365999 1.358000
Si 25.797001 17.650999 1.358000
Si 25.797001 20.365999 -1.357000
Si 21.724001 21.724001 -2.715000
Si 21.724001 24.438999 0.000000
Si 24.438999 21.724001 0.000000
Si 24.438999 24.438999 -2.715000
Si 23.082001 23.082001 -1.357000
Si 23.082001 25.797001 1.358000
Si 25.797001 23.082001 1.358000
Si 25.797001 25.797001 -1.357000
Si 21.724001 27.153999 -2.715000
Si 21.724001 29.870001 0.000000
Si 24.438999 27.153999 0.000000
Si 24.438999 29.870001 -2.715000
Si 23.082001 28.511999 -1.357000
Si 23.082001 31.226999 1.358000
Si 25.797001 28.511999 1.358000
Si 25.797001 31.226999 -1.357000
H 22.225000 32.084999 2.215000
H 23.940001 32.084000 0.501000
H 24.940001 32.084000 -0.500000
H 26.653999 32.084000 -2.214000
Si 27.153999 -32.584999 -2.715000
Si 27.153999 -29.870001 0.000000
Si 29.870001 -32.584999 0.000000
Si 29.870001 -29.870001 -2.715000
Si 28.511999 -31.226999 -1.357000
Si 28.511999 -28.511999 1.358000
Si 31.226999 -31.226999 1.358000
Si 31.226999 -28.511999 -1.357000
H 26.296000 -33.442001 -1.858000
H 28.011000 -33.443001 -3.572000
H 30.728001 -33.442001 -0.858000
H 29.013000 -33.443001 0.857000
H 32.084000 -30.368999 0.501000
H 32.084999 -32.084000 2.215000
H 32.084999 -27.655001 -2.214000
H 32.084000 -29.368999 -0.499000
Si 27.153999 -27.153999 -2.715000
Si 27.153999 -24.438999 0.000000
Si 29.870001 -27.153999 0.000000
Si 29.870001 -24.438999 -2.715000
Si 28.511999 -25.796000 -1.357000
Si 28.511999 -23.080999 1.358000
Si 31.226999 -25.796000 1.358000
Si 31.226999 -23.080999 -1.357000
H 32.084999 -26.653000 2.215000
H 32.084000 -24.938000 0.501000
H 32.084000 -22.224001 -2.214000
H 32.084000 -23.938000 -0.500000
Si 27.153999 -21.724001 -2.715000
Si 27.153999 -19.009001 0.000000
Si 29.870001 -21.724001 0.000000
Si 29.870001 -19.009001 -2.715000
Si 28.511999 -20.365999 -1.357000
Si 28.511999 -17.650999 1.358000
Si 31.226999 -20.365999 1.358000
Si 31.226999 -17.650999 -1.357000
H 32.084999 -21.223000 2.215000
H 32.084000 -19.507999 0.501000
H 32.084999 -16.794001 -2.214000
H 32.084000 -18.507999 -0.499000
Si 27.153999 -16.292999 -2.715000
Si 27.153999 -13.578000 0.000000
Si 29.870001 -16.292999 0.000000
Si 29.870001 -13.578000 -2.715000
Si 28.511999 -14.935000 -1.357000
Si 28.511999 -12.220000 1.358000
Si 31.226999 -14.935000 1.358000
Si 31.226999 -12.220000 -1.357000
H 32.084999 -15.792000 2.215000
H 32.084000 -14.077000 0.501000
H 32.084999 -11.363000 -2.214000
H 32.084000 -13.077000 -0.499000
Si 27.153999 -10.862000 -2.715000
Si 27.153999 -8.147000 0.000000
Si 29.870001 -10.862000 0.000000
Si 29.870001 -8.147000 -2.715000
Si 28.511999 -9.504000 -1.357000
Si 28.511999 -6.789000 1.358000
Si 31.226999 -9.504000 1.358000
Si 31.226999 -6.789000 -1.357000
H 32.084999 -10.361000 2.215000
H 32.084000 -8.646000 0.501000
H 32.084999 -5.932000 -2.214000
H 32.084000 -7.646000 -0.499000
Si 27.153999 -5.431000 -2.715000
Si 27.153999 -2.716000 0.000000
Si 29.870001 -5.431000 0.000000
Si 29.870001 -2.716000 -2.715000
Si 28.511999 -4.073000 -1.357000
Si 28.511999 -1.358000 1.358000
Si 31.226999 -4.073000 1.358000
Si 31.226999 -1.358000 -1.357000
H 32.084999 -4.930000 2.215000
H 32.084000 -3.215000 0.501000
H 32.084999 -0.501000 -2.214000
H 32.084000 -2.215000 -0.499000
Si 27.153999 0.000000 -2.715000
Si 27.153999 2.715000 0.000000
Si 29.870001 0.000000 0.000000
Si 29.870001 2.715000 -2.715000
Si 28.511999 1.358000 -1.357000
Si 28.511999 4.073000 1.358000
Si 31.226999 1.358000 1.358000
Si 31.226999 4.073000 -1.357000
H 32.084999 0.501000 2.215000
H 32.084000 2.216000 0.501000
H 32.084999 4.930000 -2.214000
H 32.084000 3.216000 -0.499000
Si 27.153999 5.431000 -2.715000
Si 27.153999 8.146000 0.000000
Si 29.870001 5.431000 0.000000
Si 29.870001 8.146000 -2.715000
Si 28.511999 6.789000 -1.357000
Si 28.511999 9.504000 1.358000
Si 31.226999 6.789000 1.358000
Si 31.226999 9.504000 -1.357000
H 32.084999 5.932000 2.215000
H 32.084000 7.647000 0.501000
H 32.084999 10.361000 -2.214000
H 32.084000 8.647000 -0.499000
Si 27.153999 10.862000 -2.715000
Si 27.153999 13.577000 0.000000
Si 29.870001 10.862000 0.000000
Si 29.870001 13.577000 -2.715000
Si 28.511999 12.220000 -1.357000
Si 28.511999 14.935000 1.358000
Si 31.226999 12.220000 1.358000
Si 31.226999 14.935000 -1.357000
H 32.084999 11.363000 2.215000
H 32.084000 13.078000 0.501000
H 32.084999 15.792000 -2.214000
H 32.084000 14.078000 -0.499000
Si 27.153999 16.292999 -2.715000
Si 27.153999 19.007999 0.000000
Si 29.870001 16.292999 0.000000
Si 29.870001 19.007999 -2.715000
Si 28.511999 17.650999 -1.357000
Si 28.511999 20.365999 1.358000
Si 31.226999 17.650999 1.358000
Si 31.226999 20.365999 -1.357000
H 32.084999 16.794001 2.215000
H 32.084000 18.509001 0.501000
H 32.084999 21.223000 -2.214000
H 32.084000 19.509001 -0.499000
Si 27.153999 21.724001 -2.715000
Si 27.153999 24.438999 0.000000
Si 29.870001 21.724001 0.000000
Si 29.870001 24.438999 -2.715000
Si 28.511999 23.082001 -1.357000
Si 28.511999 25.797001 1.358000
Si 31.226999 23.082001 1.358000
Si 31.226999 25.797001 -1.357000
H 32.084999 22.225000 2.215000
H 32.084000 23.940001 0.501000
H 32.084000 26.653999 -2.214000
H 32.084000 24.940001 -0.500000
Si 27.153999 27.153999 -2.715000
Si 27.153999 29.870001 0.000000
Si 29.870001 27.153999 0.000000
Si 29.870001 29.870001 -2.715000
Si 28.511999 28.511999 -1.357000
Si 28.511999 31.226999 1.358000
Si 31.226999 28.511999 1.358000
Si 31.226999 31.226999 -1.357000
H 27.655001 32.084999 2.215000
H 29.370001 32.084000 0.501000
H 32.084999 27.655001 2.215000
H 32.084000 29.370001 0.501000
H 32.084999 32.084999 -2.214000
H 32.084000 30.368999 -0.500000
H 30.368999 32.084000 -0.500000
Thanks in advance,
Best Begards,
Nadia Salami
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