P   LATTICE,NONEQUIV.ATOMS  16    1 P1                                         
MODE OF CALC=RELA unit=bohr                                                    
 12.623371 12.744313 24.173377102.650000 99.460000104.640000                   
ATOM  -1: X=0.38100000 Y=0.59300000 Z=0.07600000
          MULT= 1          ISPLIT= 8
Sb         NPT=  781  R0=.000010000 RMT= 2.26        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  -2: X=0.42100000 Y=0.41900000 Z=0.50300000
          MULT= 1          ISPLIT= 8
Sb         NPT=  781  R0=.000010000 RMT= 2.26        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  -3: X=0.22500000 Y=0.81900000 Z=0.32900000
          MULT= 1          ISPLIT= 8
Sb         NPT=  781  R0=.000010000 RMT= 2.26        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  -4: X=0.23600000 Y=0.65900000 Z=0.76300000
          MULT= 1          ISPLIT= 8
Sb         NPT=  781  R0=.000010000 RMT= 2.26        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  -5: X=0.72500000 Y=0.30900000 Z=0.26400000
          MULT= 1          ISPLIT= 8
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.62600000 Y=0.26900000 Z=0.84400000
          MULT= 1          ISPLIT= 8
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.90100000 Y=0.95400000 Z=0.57100000
          MULT= 1          ISPLIT= 8
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.02500000 Y=0.56700000 Z=0.10400000
          MULT= 1          ISPLIT= 8
Se         NPT=  781  R0=.000050000 RMT= 2.15        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=0.60400000 Y=0.66900000 Z=0.73800000
          MULT= 1          ISPLIT= 8
Se         NPT=  781  R0=.000050000 RMT= 2.15        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=0.05500000 Y=0.45300000 Z=0.54300000
          MULT= 1          ISPLIT= 8
Se         NPT=  781  R0=.000050000 RMT= 2.15        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=0.47900000 Y=0.91000000 Z=0.00600000
          MULT= 1          ISPLIT= 8
Se         NPT=  781  R0=.000050000 RMT= 2.15        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=0.55400000 Y=0.79300000 Z=0.29600000
          MULT= 1          ISPLIT= 8
Se         NPT=  781  R0=.000050000 RMT= 2.15        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=0.14000000 Y=0.33300000 Z=0.82000000
          MULT= 1          ISPLIT= 8
Se         NPT=  781  R0=.000050000 RMT= 2.15        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=0.20100000 Y=0.17500000 Z=0.28400000
          MULT= 1          ISPLIT= 8
Se         NPT=  781  R0=.000050000 RMT= 2.15        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=0.43100000 Y=0.10100000 Z=0.54700000
          MULT= 1          ISPLIT= 8
Se         NPT=  781  R0=.000050000 RMT= 2.15        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000