P   LATTICE,NONEQUIV.ATOMS  18    1 P1                                         
MODE OF CALC=RELA unit=bohr                                                    
  6.519555 12.018658 18.802775105.470000 90.830000 91.960000                   
ATOM  -1: X=0.00000000 Y=0.26900000 Z=0.89200000
          MULT= 1          ISPLIT= 8
Cd         NPT=  781  R0=.000010000 RMT= 2.16        Z:  48.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.54700000 Y=0.15100000 Z=0.17640000
          MULT= 1          ISPLIT= 8
Cd         NPT=  781  R0=.000010000 RMT= 2.16        Z:  48.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.04000000 Y=0.70700000 Z=0.42660000
          MULT= 1          ISPLIT= 8
Cd         NPT=  781  R0=.000010000 RMT= 2.16        Z:  48.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.54960000 Y=0.57330000 Z=0.70590000
          MULT= 1          ISPLIT= 8
Cd         NPT=  781  R0=.000010000 RMT= 2.16        Z:  48.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.11500000 Y=0.25300000 Z=0.45700000
          MULT= 1          ISPLIT= 8
B          NPT=  781  R0=.000100000 RMT= 1.13        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.45500000 Y=0.59800000 Z=0.14200000
          MULT= 1          ISPLIT= 8
B          NPT=  781  R0=.000100000 RMT= 1.13        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.12100000 Y=0.80400000 Z=0.98400000
          MULT= 1          ISPLIT= 8
B          NPT=  781  R0=.000100000 RMT= 1.13        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.45200000 Y=0.04800000 Z=0.61700000
          MULT= 1          ISPLIT= 8
B          NPT=  781  R0=.000100000 RMT= 1.13        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.06100000 Y=0.63400000 Z=0.86200000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.31        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=0.05300000 Y=0.43200000 Z=0.56400000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.31        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 -11: X=0.31600000 Y=0.08500000 Z=0.48300000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.31        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 -12: X=0.52600000 Y=0.39900000 Z=0.04300000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.31        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 -13: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.31        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 -14: X=0.60100000 Y=0.84200000 Z=0.60400000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.31        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 -15: X=0.52000000 Y=0.24000000 Z=0.74400000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.31        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 -16: X=0.05200000 Y=0.22000000 Z=0.31100000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.31        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 -17: X=0.55300000 Y=0.65300000 Z=0.28200000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.31        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 -18: X=0.27000000 Y=0.75700000 Z=0.10100000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.31        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000