pairwise_distance_v1.0

This is an alternative output format for cif_distances script, which 
calculates distances between atoms in a cif file.

Each distance between two atoms and information regarding those atoms is 
written in a single line. Each column corresponds to a value as defined below:

DIST    DISTANCE ATOM_1  ATOM_2  SYMOP   SHIFT  [FILENAME]

DIST     keyword denoting the start of the output line.
DISTANCE distance between the two given atoms. The distance can be represented 
         by a real number or a "-" symbol if the distance was not calculated. 
ATOM_1   atom name and atom type of the first atom separated by an "/" 
         symbol.
ATOM_2   atom name and atom type of the second atom separated by an "/" 
         symbol.
SYMOP    symmetry operator which was applied to get the second atom in 
         x,y,z notation.
SHIFT    shift operator which was applied to get the second atom in 555 
         notation.
FILENAME name of the processed if file. It is an additional field that can be 
         output if --add-file option is enabled. It is disabled by default.
        
SYMOP and SHIFT operators are only given for the second atom, due to 
the first atom being always chosen from the original atoms before any 
transformations (except for modulo 1 to put them in the first octant).

For example,

DIST DISTANCE   ATOM_1     ATOM_2      SYMOP      SHIFT
DIST 4.068      Nd1/Nd     Co1/Co      x,y,z      5 6 5
DIST 2.406      Nd1/Nd       O1/O   -x,-y,-z      4 5 5
DIST 2.508      Nd1/Nd       O2/O      x,y,z      5 6 5
DIST 2.490      Nd1/Nd       O3/O      x,y,z      5 5 5
DIST 2.577      Nd1/Nd       O4/O      x,y,z      5 5 5
DIST 5.896      Co1/Co       O1/O      x,y,z      5 5 5
DIST 4.634      Co1/Co       O2/O      x,y,z      5 5 5
DIST 2.115      Co1/Co       O3/O      x,y,z      5 4 5
DIST 4.276      Co1/Co       O4/O      x,y,z      5 4 5
DIST 2.181        O1/O       O2/O      x,y,z      5 5 5
DIST 4.615        O1/O       O3/O      x,y,z      5 4 5
DIST 4.126        O1/O       O4/O   -x,-y,-z      5 5 5
DIST 3.171        O2/O       O3/O      x,y,z      5 4 5
DIST 2.890        O2/O       O4/O      x,y,z      5 4 5
DIST 2.180        O3/O       O4/O      x,y,z      5 5 5

