P   LATTICE,NONEQUIV.ATOMS  18    1 P1                                         
MODE OF CALC=RELA unit=bohr                                                    
 12.049083 15.628035 18.651597 86.200000 77.586000 83.237000                   
ATOM  -1: X=0.35700000 Y=0.65800000 Z=0.49000000
          MULT= 1          ISPLIT= 8
Se         NPT=  781  R0=.000050000 RMT= 2.04        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  -2: X=0.14410000 Y=0.21450000 Z=0.01370000
          MULT= 1          ISPLIT= 8
Se         NPT=  781  R0=.000050000 RMT= 2.04        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  -3: X=0.23500000 Y=0.44700000 Z=0.44200000
          MULT= 1          ISPLIT= 8
Cl         NPT=  781  R0=.000100000 RMT= 1.85        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.01300000 Y=0.85100000 Z=0.35800000
          MULT= 1          ISPLIT= 8
Cl         NPT=  781  R0=.000100000 RMT= 1.85        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.48500000 Y=0.00100000 Z=0.49400000
          MULT= 1          ISPLIT= 8
Cl         NPT=  781  R0=.000100000 RMT= 1.85        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.62300000 Y=0.55000000 Z=0.56300000
          MULT= 1          ISPLIT= 8
Cl         NPT=  781  R0=.000100000 RMT= 1.85        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.14200000 Y=0.70800000 Z=0.68400000
          MULT= 1          ISPLIT= 8
Cl         NPT=  781  R0=.000100000 RMT= 1.85        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.64500000 Y=0.67400000 Z=0.19350000
          MULT= 1          ISPLIT= 8
Cl         NPT=  781  R0=.000100000 RMT= 1.85        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Cl         NPT=  781  R0=.000100000 RMT= 1.85        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -10: X=0.38500000 Y=0.11900000 Z=0.12300000
          MULT= 1          ISPLIT= 8
Cl         NPT=  781  R0=.000100000 RMT= 1.85        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -11: X=0.76800000 Y=0.40700000 Z=0.91300000
          MULT= 1          ISPLIT= 8
Cl         NPT=  781  R0=.000100000 RMT= 1.85        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -12: X=0.23600000 Y=0.56200000 Z=0.04800000
          MULT= 1          ISPLIT= 8
Cl         NPT=  781  R0=.000100000 RMT= 1.85        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -13: X=0.33700000 Y=0.22700000 Z=0.80930000
          MULT= 1          ISPLIT= 8
Cl         NPT=  781  R0=.000100000 RMT= 1.85        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -14: X=0.83700000 Y=0.25300000 Z=0.28600000
          MULT= 1          ISPLIT= 8
Cl         NPT=  781  R0=.000100000 RMT= 1.85        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -15: X=0.90100000 Y=0.13800000 Z=0.61870000
          MULT= 1          ISPLIT= 8
Cl         NPT=  781  R0=.000100000 RMT= 1.85        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -16: X=0.61700000 Y=0.81900000 Z=0.86200000
          MULT= 1          ISPLIT= 8
Cl         NPT=  781  R0=.000100000 RMT= 1.85        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -17: X=0.81300000 Y=0.05900000 Z=0.44400000
          MULT= 1          ISPLIT= 8
Al         NPT=  781  R0=.000100000 RMT= 1.96        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -18: X=0.56500000 Y=0.61700000 Z=0.00600000
          MULT= 1          ISPLIT= 8
Al         NPT=  781  R0=.000100000 RMT= 1.96        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000