P   LATTICE,NONEQUIV.ATOMS   7  114 P-421c                                     
MODE OF CALC=RELA unit=bohr                                                    
 25.682512 25.682512 12.311188 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.29970000 Y=0.02236000 Z=0.45216000
          MULT= 8          ISPLIT= 8
      -1: X=0.02236000 Y=0.70030000 Z=0.54784000
      -1: X=0.79970000 Y=0.47764000 Z=0.04784000
      -1: X=0.70030000 Y=0.97764000 Z=0.45216000
      -1: X=0.47764000 Y=0.20030000 Z=0.95216000
      -1: X=0.97764000 Y=0.29970000 Z=0.54784000
      -1: X=0.20030000 Y=0.52236000 Z=0.04784000
      -1: X=0.52236000 Y=0.79970000 Z=0.95216000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 2          ISPLIT=-2
      -2: X=0.50000000 Y=0.50000000 Z=0.00000000
Li         NPT=  781  R0=.000100000 RMT= 1.99        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.14161000 Y=0.24344000 Z=0.05297000
          MULT= 8          ISPLIT= 8
      -3: X=0.24344000 Y=0.85839000 Z=0.94703000
      -3: X=0.64161000 Y=0.25656000 Z=0.44703000
      -3: X=0.85839000 Y=0.75656000 Z=0.05297000
      -3: X=0.25656000 Y=0.35839000 Z=0.55297000
      -3: X=0.75656000 Y=0.14161000 Z=0.94703000
      -3: X=0.35839000 Y=0.74344000 Z=0.44703000
      -3: X=0.74344000 Y=0.64161000 Z=0.55297000
Ga         NPT=  781  R0=.000050000 RMT= 2.22        Z:  31.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -4: X=0.50000000 Y=0.50000000 Z=0.50000000
Ga         NPT=  781  R0=.000050000 RMT= 2.22        Z:  31.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.01227000 Y=0.35951000 Z=0.04553000
          MULT= 8          ISPLIT= 8
      -5: X=0.35951000 Y=0.98773000 Z=0.95447000
      -5: X=0.51227000 Y=0.14049000 Z=0.45447000
      -5: X=0.98773000 Y=0.64049000 Z=0.04553000
      -5: X=0.14049000 Y=0.48773000 Z=0.54553000
      -5: X=0.64049000 Y=0.01227000 Z=0.95447000
      -5: X=0.48773000 Y=0.85951000 Z=0.45447000
      -5: X=0.85951000 Y=0.51227000 Z=0.54553000
Se         NPT=  781  R0=.000050000 RMT= 2.22        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.29188000 Y=0.30396000 Z=0.20967000
          MULT= 8          ISPLIT= 8
      -6: X=0.30396000 Y=0.70812000 Z=0.79033000
      -6: X=0.79188000 Y=0.19604000 Z=0.29033000
      -6: X=0.70812000 Y=0.69604000 Z=0.20967000
      -6: X=0.19604000 Y=0.20812000 Z=0.70967000
      -6: X=0.69604000 Y=0.29188000 Z=0.79033000
      -6: X=0.20812000 Y=0.80396000 Z=0.29033000
      -6: X=0.80396000 Y=0.79188000 Z=0.70967000
Se         NPT=  781  R0=.000050000 RMT= 2.22        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.08964000 Y=0.10000000 Z=0.23915000
          MULT= 8          ISPLIT= 8
      -7: X=0.10000000 Y=0.91036000 Z=0.76085000
      -7: X=0.58964000 Y=0.40000000 Z=0.26085000
      -7: X=0.91036000 Y=0.90000000 Z=0.23915000
      -7: X=0.40000000 Y=0.41036000 Z=0.73915000
      -7: X=0.90000000 Y=0.08964000 Z=0.76085000
      -7: X=0.41036000 Y=0.60000000 Z=0.26085000
      -7: X=0.60000000 Y=0.58964000 Z=0.73915000
Se         NPT=  781  R0=.000050000 RMT= 2.22        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000