P   LATTICE,NONEQUIV.ATOMS  16    1 P1                                         
MODE OF CALC=RELA unit=bohr                                                    
 12.190623 12.190623 23.587562 99.260000 99.480000103.210000                   
ATOM  -1: X=0.16800000 Y=0.55600000 Z=0.82800000
          MULT= 1          ISPLIT= 8
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
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=0.00000000
          MULT= 1          ISPLIT= 8
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.50400000 Y=0.94600000 Z=0.26200000
          MULT= 1          ISPLIT= 8
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.63600000 Y=0.59800000 Z=0.57000000
          MULT= 1          ISPLIT= 8
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.49900000 Y=0.08100000 Z=0.76900000
          MULT= 1          ISPLIT= 8
Sb         NPT=  781  R0=.000010000 RMT= 2.36        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.08600000 Y=0.51600000 Z=0.32900000
          MULT= 1          ISPLIT= 8
Sb         NPT=  781  R0=.000010000 RMT= 2.36        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.07400000 Y=0.06900000 Z=0.50500000
          MULT= 1          ISPLIT= 8
Sb         NPT=  781  R0=.000010000 RMT= 2.36        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.66500000 Y=0.48000000 Z=0.06800000
          MULT= 1          ISPLIT= 8
Sb         NPT=  781  R0=.000010000 RMT= 2.36        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.51800000 Y=0.08000000 Z=0.01300000
          MULT= 1          ISPLIT= 8
Se         NPT=  781  R0=.000050000 RMT= 2.24        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 -10: X=0.10400000 Y=0.03100000 Z=0.73900000
          MULT= 1          ISPLIT= 8
Se         NPT=  781  R0=.000050000 RMT= 2.24        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 -11: X=0.05200000 Y=0.09600000 Z=0.27800000
          MULT= 1          ISPLIT= 8
Se         NPT=  781  R0=.000050000 RMT= 2.24        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 -12: X=0.46900000 Y=0.06200000 Z=0.53500000
          MULT= 1          ISPLIT= 8
Se         NPT=  781  R0=.000050000 RMT= 2.24        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 -13: X=0.63800000 Y=0.50600000 Z=0.82600000
          MULT= 1          ISPLIT= 8
Se         NPT=  781  R0=.000050000 RMT= 2.24        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 -14: X=0.67300000 Y=0.49000000 Z=0.29600000
          MULT= 1          ISPLIT= 8
Se         NPT=  781  R0=.000050000 RMT= 2.24        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 -15: X=0.10400000 Y=0.46200000 Z=0.55200000
          MULT= 1          ISPLIT= 8
Se         NPT=  781  R0=.000050000 RMT= 2.24        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 -16: X=0.09300000 Y=0.53900000 Z=0.09500000
          MULT= 1          ISPLIT= 8
Se         NPT=  781  R0=.000050000 RMT= 2.24        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000