xcrysden-data 1.5.60-1 / usr / share / xcrysden / examples / WIEN_struct_files / crb2.struct

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/usr/share/xcrysden/examples/WIEN_struct_files/crb2.struct is in xcrysden-data 1.5.60-1.

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The actual contents of the file can be viewed below. 

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CrB2                                                                    
H   LATTICE,NONEQUIV. ATOMS  2
MODE OF CALC=RELA
  5.610600  5.610600  5.793900 90.000000 90.000000120.000000
Atom  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
CrOMIUM    NPT=  381  R0=0.00050000 RMT=    1.8000   Z: 24.0
                    1.000000000.000000000.00000000
                    0.000000001.000000000.00000000
                    0.000000000.000000001.00000000
Atom  -2: X=0.66666660 Y=0.33333330 Z=0.50000000
          MULT= 2          ISPLIT= 4
Atom  -2: X=0.33333330 Y=0.66666660 Z=0.50000000
B ORON     NPT=  381  R0=0.00050000 RMT=    1.5000   Z:  5.0
                    1.000000000.000000000.00000000
                    0.000000001.000000000.00000000
                    0.000000000.000000001.00000000
  24 SYMMETRY OPERATIONS:
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