R   LATTICE,NONEQUIV.ATOMS  10  146 R3                                         
MODE OF CALC=RELA unit=bohr                                                    
 11.546228 11.546228 47.596533 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Ba         NPT=  781  R0=.000010000 RMT= 2.38        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=0.83600000 Y=0.83600000 Z=0.83600000
          MULT= 1          ISPLIT= 4
Ba         NPT=  781  R0=.000010000 RMT= 2.38        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  -3: X=0.42100000 Y=0.42100000 Z=0.42100000
          MULT= 1          ISPLIT= 4
Ba         NPT=  781  R0=.000010000 RMT= 2.38        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  -4: X=0.57300000 Y=0.57300000 Z=0.57300000
          MULT= 1          ISPLIT= 4
Y          NPT=  781  R0=.000010000 RMT= 2.18        Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.14200000 Y=0.14200000 Z=0.14200000
          MULT= 1          ISPLIT= 4
Y          NPT=  781  R0=.000010000 RMT= 2.18        Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.26500000 Y=0.26500000 Z=0.26500000
          MULT= 1          ISPLIT= 4
Y          NPT=  781  R0=.000010000 RMT= 2.18        Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.69900000 Y=0.69900000 Z=0.69900000
          MULT= 1          ISPLIT= 4
Y          NPT=  781  R0=.000010000 RMT= 2.18        Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.41000000 Y=0.89999000 Z=0.94000000
          MULT= 3          ISPLIT= 8
      -8: X=0.89999000 Y=0.94000000 Z=0.41000000
      -8: X=0.94000000 Y=0.41000000 Z=0.89999000
O          NPT=  781  R0=.000100000 RMT= 1.97        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.25200000 Y=0.45199000 Z=0.88200000
          MULT= 3          ISPLIT= 8
      -9: X=0.45199000 Y=0.88200000 Z=0.25200000
      -9: X=0.88200000 Y=0.25200000 Z=0.45199000
O          NPT=  781  R0=.000100000 RMT= 1.97        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -10: X=0.41500000 Y=0.55499000 Z=0.95500000
          MULT= 3          ISPLIT= 8
     -10: X=0.55499000 Y=0.95500000 Z=0.41500000
     -10: X=0.95500000 Y=0.41500000 Z=0.55499000
O          NPT=  781  R0=.000100000 RMT= 1.97        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000