
 ABINIT package : GEO file

 Maximal coordination number, as estimated by the user :  4
  giving a maximum of   16 nearest neighbors and next nearest neighbors, 
                  and    6 distinct angles between nearest neighbors

 Primitive vectors of the periodic cell (bohr)
   R(1)=  10.26311   0.00000   0.00000
   R(2)=   0.00000  10.26311   0.00000
   R(3)=   0.00000   0.00000  10.26311

 Atom list        Reduced coordinates          Cartesian coordinates (bohr)
   Si(1)      0.00044   0.00000   0.00000       0.00453   0.00000   0.00000
   Si(2)      0.25000   0.25000   0.25000       2.56578   2.56578   2.56578
   Si(3)      0.00000   0.50000   0.50000       0.00000   5.13156   5.13156
   Si(4)      0.25000   0.75000   0.75000       2.56578   7.69733   7.69733
   Si(5)      0.50000   0.00000   0.50000       5.13156   0.00000   5.13156
   Si(6)      0.75000   0.25000   0.75000       7.69733   2.56578   7.69733
   Si(7)      0.50000   0.50000   0.00000       5.13156   5.13156   0.00000
   Si(8)      0.75000   0.75000   0.25000       7.69733   7.69733   2.56578

 XMOL data : natom, followed by cartesian coordinates in Angstrom

   8

   Si   0.00240   0.00000  -0.00000
   Si   1.35775   1.35775   1.35775
   Si   0.00000   2.71550   2.71550
   Si   1.35775   4.07325   4.07325
   Si   2.71550   0.00000   2.71550
   Si   4.07325   1.35775   4.07325
   Si   2.71550   2.71550   0.00000
   Si   4.07325   4.07325   1.35775

================================================================================
 Si(1)   

 Bond lengths
  Si(1) - Si(2) 0 0 0     bond length is    4.44144 bohr  ( or   2.35031 Angst.)
  Si(1) - Si(4) 0-1-1     bond length is    4.44144 bohr  ( or   2.35031 Angst.)
  Si(1) - Si(6)-1 0-1     bond length is    4.44667 bohr  ( or   2.35308 Angst.)
  Si(1) - Si(8)-1-1 0     bond length is    4.44667 bohr  ( or   2.35308 Angst.)
  Si(1) - Si(5) 0 0-1     bond length is    7.25391 bohr  ( or   3.83861 Angst.)
  Si(1) - Si(5) 0 0 0     bond length is    7.25391 bohr  ( or   3.83861 Angst.)
  Si(1) - Si(7) 0-1 0     bond length is    7.25391 bohr  ( or   3.83861 Angst.)
  Si(1) - Si(7) 0 0 0     bond length is    7.25391 bohr  ( or   3.83861 Angst.)
  Si(1) - Si(3) 0-1-1     bond length is    7.25712 bohr  ( or   3.84030 Angst.)
  Si(1) - Si(3) 0 0-1     bond length is    7.25712 bohr  ( or   3.84030 Angst.)
  Si(1) - Si(3) 0-1 0     bond length is    7.25712 bohr  ( or   3.84030 Angst.)
  Si(1) - Si(3) 0 0 0     bond length is    7.25712 bohr  ( or   3.84030 Angst.)
  Si(1) - Si(5)-1 0-1     bond length is    7.26032 bohr  ( or   3.84199 Angst.)
  Si(1) - Si(5)-1 0 0     bond length is    7.26032 bohr  ( or   3.84199 Angst.)
  Si(1) - Si(7)-1-1 0     bond length is    7.26032 bohr  ( or   3.84199 Angst.)
  Si(1) - Si(7)-1 0 0     bond length is    7.26032 bohr  ( or   3.84199 Angst.)

 Bond angles
  Si(2) 0 0 0 - Si(1) - Si(4) 0-1-1        bond angle is     109.56661 degrees
  Si(2) 0 0 0 - Si(1) - Si(6)-1 0-1        bond angle is     109.47115 degrees
  Si(2) 0 0 0 - Si(1) - Si(8)-1-1 0        bond angle is     109.47115 degrees
  Si(4) 0-1-1 - Si(1) - Si(6)-1 0-1        bond angle is     109.47115 degrees
  Si(4) 0-1-1 - Si(1) - Si(8)-1-1 0        bond angle is     109.47115 degrees
  Si(6)-1 0-1 - Si(1) - Si(8)-1-1 0        bond angle is     109.37594 degrees

================================================================================
 Si(2)   

 Bond lengths
  Si(2) - Si(1) 0 0 0     bond length is    4.44144 bohr  ( or   2.35031 Angst.)
  Si(2) - Si(3) 0 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(2) - Si(5) 0 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(2) - Si(7) 0 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(2) - Si(4) 0-1-1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(2) - Si(4) 0 0-1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(2) - Si(4) 0-1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(2) - Si(4) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(2) - Si(6)-1 0-1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(2) - Si(6) 0 0-1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(2) - Si(6)-1 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(2) - Si(6) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(2) - Si(8)-1-1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(2) - Si(8) 0-1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(2) - Si(8)-1 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(2) - Si(8) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)

 Bond angles
  Si(1) 0 0 0 - Si(2) - Si(3) 0 0 0        bond angle is     109.51892 degrees
  Si(1) 0 0 0 - Si(2) - Si(5) 0 0 0        bond angle is     109.44737 degrees
  Si(1) 0 0 0 - Si(2) - Si(7) 0 0 0        bond angle is     109.44737 degrees
  Si(3) 0 0 0 - Si(2) - Si(5) 0 0 0        bond angle is     109.47122 degrees
  Si(3) 0 0 0 - Si(2) - Si(7) 0 0 0        bond angle is     109.47122 degrees
  Si(5) 0 0 0 - Si(2) - Si(7) 0 0 0        bond angle is     109.47122 degrees

================================================================================
 Si(3)   

 Bond lengths
  Si(3) - Si(2) 0 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(3) - Si(4) 0 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(3) - Si(6)-1 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(3) - Si(8)-1 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(3) - Si(5)-1 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(3) - Si(5) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(3) - Si(5)-1 1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(3) - Si(5) 0 1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(3) - Si(7)-1 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(3) - Si(7) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(3) - Si(7)-1 0 1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(3) - Si(7) 0 0 1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(3) - Si(1) 0 0 0     bond length is    7.25712 bohr  ( or   3.84030 Angst.)
  Si(3) - Si(1) 0 1 0     bond length is    7.25712 bohr  ( or   3.84030 Angst.)
  Si(3) - Si(1) 0 0 1     bond length is    7.25712 bohr  ( or   3.84030 Angst.)
  Si(3) - Si(1) 0 1 1     bond length is    7.25712 bohr  ( or   3.84030 Angst.)

 Bond angles
  Si(2) 0 0 0 - Si(3) - Si(4) 0 0 0        bond angle is     109.47122 degrees
  Si(2) 0 0 0 - Si(3) - Si(6)-1 0 0        bond angle is     109.47122 degrees
  Si(2) 0 0 0 - Si(3) - Si(8)-1 0 0        bond angle is     109.47122 degrees
  Si(4) 0 0 0 - Si(3) - Si(6)-1 0 0        bond angle is     109.47122 degrees
  Si(4) 0 0 0 - Si(3) - Si(8)-1 0 0        bond angle is     109.47122 degrees
  Si(6)-1 0 0 - Si(3) - Si(8)-1 0 0        bond angle is     109.47122 degrees

================================================================================
 Si(4)   

 Bond lengths
  Si(4) - Si(1) 0 1 1     bond length is    4.44144 bohr  ( or   2.35031 Angst.)
  Si(4) - Si(3) 0 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(4) - Si(5) 0 1 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(4) - Si(7) 0 0 1     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(4) - Si(2) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(4) - Si(2) 0 1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(4) - Si(2) 0 0 1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(4) - Si(2) 0 1 1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(4) - Si(6)-1 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(4) - Si(6) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(4) - Si(6)-1 1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(4) - Si(6) 0 1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(4) - Si(8)-1 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(4) - Si(8) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(4) - Si(8)-1 0 1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(4) - Si(8) 0 0 1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)

 Bond angles
  Si(1) 0 1 1 - Si(4) - Si(3) 0 0 0        bond angle is     109.51892 degrees
  Si(1) 0 1 1 - Si(4) - Si(5) 0 1 0        bond angle is     109.44737 degrees
  Si(1) 0 1 1 - Si(4) - Si(7) 0 0 1        bond angle is     109.44737 degrees
  Si(3) 0 0 0 - Si(4) - Si(5) 0 1 0        bond angle is     109.47122 degrees
  Si(3) 0 0 0 - Si(4) - Si(7) 0 0 1        bond angle is     109.47122 degrees
  Si(5) 0 1 0 - Si(4) - Si(7) 0 0 1        bond angle is     109.47122 degrees

================================================================================
 Si(5)   

 Bond lengths
  Si(5) - Si(2) 0 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(5) - Si(4) 0-1 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(5) - Si(6) 0 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(5) - Si(8) 0-1 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(5) - Si(1) 0 0 0     bond length is    7.25391 bohr  ( or   3.83861 Angst.)
  Si(5) - Si(1) 0 0 1     bond length is    7.25391 bohr  ( or   3.83861 Angst.)
  Si(5) - Si(3) 0-1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(5) - Si(3) 1-1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(5) - Si(3) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(5) - Si(3) 1 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(5) - Si(7) 0-1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(5) - Si(7) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(5) - Si(7) 0-1 1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(5) - Si(7) 0 0 1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(5) - Si(1) 1 0 0     bond length is    7.26032 bohr  ( or   3.84199 Angst.)
  Si(5) - Si(1) 1 0 1     bond length is    7.26032 bohr  ( or   3.84199 Angst.)

 Bond angles
  Si(2) 0 0 0 - Si(5) - Si(4) 0-1 0        bond angle is     109.47122 degrees
  Si(2) 0 0 0 - Si(5) - Si(6) 0 0 0        bond angle is     109.47122 degrees
  Si(2) 0 0 0 - Si(5) - Si(8) 0-1 0        bond angle is     109.47122 degrees
  Si(4) 0-1 0 - Si(5) - Si(6) 0 0 0        bond angle is     109.47122 degrees
  Si(4) 0-1 0 - Si(5) - Si(8) 0-1 0        bond angle is     109.47122 degrees
  Si(6) 0 0 0 - Si(5) - Si(8) 0-1 0        bond angle is     109.47122 degrees

================================================================================
 Si(6)   

 Bond lengths
  Si(6) - Si(3) 1 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(6) - Si(5) 0 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(6) - Si(7) 0 0 1     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(6) - Si(1) 1 0 1     bond length is    4.44667 bohr  ( or   2.35308 Angst.)
  Si(6) - Si(2) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(6) - Si(2) 1 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(6) - Si(2) 0 0 1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(6) - Si(2) 1 0 1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(6) - Si(4) 0-1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(6) - Si(4) 1-1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(6) - Si(4) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(6) - Si(4) 1 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(6) - Si(8) 0-1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(6) - Si(8) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(6) - Si(8) 0-1 1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(6) - Si(8) 0 0 1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)

 Bond angles
  Si(3) 1 0 0 - Si(6) - Si(5) 0 0 0        bond angle is     109.47122 degrees
  Si(3) 1 0 0 - Si(6) - Si(7) 0 0 1        bond angle is     109.47122 degrees
  Si(3) 1 0 0 - Si(6) - Si(1) 1 0 1        bond angle is     109.42358 degrees
  Si(5) 0 0 0 - Si(6) - Si(7) 0 0 1        bond angle is     109.47122 degrees
  Si(5) 0 0 0 - Si(6) - Si(1) 1 0 1        bond angle is     109.49504 degrees
  Si(7) 0 0 1 - Si(6) - Si(1) 1 0 1        bond angle is     109.49504 degrees

================================================================================
 Si(7)   

 Bond lengths
  Si(7) - Si(2) 0 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(7) - Si(4) 0 0-1     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(7) - Si(6) 0 0-1     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(7) - Si(8) 0 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(7) - Si(1) 0 0 0     bond length is    7.25391 bohr  ( or   3.83861 Angst.)
  Si(7) - Si(1) 0 1 0     bond length is    7.25391 bohr  ( or   3.83861 Angst.)
  Si(7) - Si(3) 0 0-1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(7) - Si(3) 1 0-1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(7) - Si(3) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(7) - Si(3) 1 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(7) - Si(5) 0 0-1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(7) - Si(5) 0 1-1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(7) - Si(5) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(7) - Si(5) 0 1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(7) - Si(1) 1 0 0     bond length is    7.26032 bohr  ( or   3.84199 Angst.)
  Si(7) - Si(1) 1 1 0     bond length is    7.26032 bohr  ( or   3.84199 Angst.)

 Bond angles
  Si(2) 0 0 0 - Si(7) - Si(4) 0 0-1        bond angle is     109.47122 degrees
  Si(2) 0 0 0 - Si(7) - Si(6) 0 0-1        bond angle is     109.47122 degrees
  Si(2) 0 0 0 - Si(7) - Si(8) 0 0 0        bond angle is     109.47122 degrees
  Si(4) 0 0-1 - Si(7) - Si(6) 0 0-1        bond angle is     109.47122 degrees
  Si(4) 0 0-1 - Si(7) - Si(8) 0 0 0        bond angle is     109.47122 degrees
  Si(6) 0 0-1 - Si(7) - Si(8) 0 0 0        bond angle is     109.47122 degrees

================================================================================
 Si(8)   

 Bond lengths
  Si(8) - Si(3) 1 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(8) - Si(5) 0 1 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(8) - Si(7) 0 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(8) - Si(1) 1 1 0     bond length is    4.44667 bohr  ( or   2.35308 Angst.)
  Si(8) - Si(2) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(8) - Si(2) 1 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(8) - Si(2) 0 1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(8) - Si(2) 1 1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(8) - Si(4) 0 0-1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(8) - Si(4) 1 0-1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(8) - Si(4) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(8) - Si(4) 1 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(8) - Si(6) 0 0-1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(8) - Si(6) 0 1-1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(8) - Si(6) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(8) - Si(6) 0 1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)

 Bond angles
  Si(3) 1 0 0 - Si(8) - Si(5) 0 1 0        bond angle is     109.47122 degrees
  Si(3) 1 0 0 - Si(8) - Si(7) 0 0 0        bond angle is     109.47122 degrees
  Si(3) 1 0 0 - Si(8) - Si(1) 1 1 0        bond angle is     109.42358 degrees
  Si(5) 0 1 0 - Si(8) - Si(7) 0 0 0        bond angle is     109.47122 degrees
  Si(5) 0 1 0 - Si(8) - Si(1) 1 1 0        bond angle is     109.49504 degrees
  Si(7) 0 0 0 - Si(8) - Si(1) 1 1 0        bond angle is     109.49504 degrees
