P   LATTICE,NONEQUIV.ATOMS  11    2 P-1                                        
MODE OF CALC=RELA unit=bohr                                                    
 12.982419 16.803445 17.806889100.240000 95.550000 96.120000                   
ATOM  -1: X=0.11527000 Y=0.63251000 Z=0.17374000
          MULT= 2          ISPLIT= 8
      -1: X=0.88473000 Y=0.36749000 Z=0.82626000
Mo         NPT=  781  R0=.000010000 RMT= 2.28        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.54620000 Y=0.18919000 Z=0.27868000
          MULT= 2          ISPLIT= 8
      -2: X=0.45380000 Y=0.81081000 Z=0.72132000
P          NPT=  781  R0=.000100000 RMT= 1.72        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.77970000 Y=0.51682000 Z=0.05106000
          MULT= 2          ISPLIT= 8
      -3: X=0.22030000 Y=0.48318000 Z=0.94894000
Cl         NPT=  781  R0=.000100000 RMT= 1.90        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=0.07890000 Y=0.83651000 Z=0.05394000
          MULT= 2          ISPLIT= 8
      -4: X=0.92110000 Y=0.16349000 Z=0.94606000
Cl         NPT=  781  R0=.000100000 RMT= 1.90        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=0.00990000 Y=0.23228000 Z=0.62347000
          MULT= 2          ISPLIT= 8
      -5: X=0.99010000 Y=0.76772000 Z=0.37653000
Cl         NPT=  781  R0=.000100000 RMT= 1.90        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=0.11950000 Y=0.41548000 Z=0.28021000
          MULT= 2          ISPLIT= 8
      -6: X=0.88050000 Y=0.58452000 Z=0.71979000
Cl         NPT=  781  R0=.000100000 RMT= 1.90        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=0.44160000 Y=0.71824000 Z=0.26199000
          MULT= 2          ISPLIT= 8
      -7: X=0.55840000 Y=0.28176000 Z=0.73801000
Cl         NPT=  781  R0=.000100000 RMT= 1.90        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=0.44030000 Y=0.19716000 Z=0.08209000
          MULT= 2          ISPLIT= 8
      -8: X=0.55970000 Y=0.80284000 Z=0.91791000
Cl         NPT=  781  R0=.000100000 RMT= 1.90        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=0.75480000 Y=0.05721000 Z=0.27178000
          MULT= 2          ISPLIT= 8
      -9: X=0.24520000 Y=0.94279000 Z=0.72822000
Cl         NPT=  781  R0=.000100000 RMT= 1.90        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=0.65080000 Y=0.39300000 Z=0.38365000
          MULT= 2          ISPLIT= 8
     -10: X=0.34920000 Y=0.60700000 Z=0.61635000
Cl         NPT=  781  R0=.000100000 RMT= 1.90        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=0.33820000 Y=0.10312000 Z=0.37642000
          MULT= 2          ISPLIT= 8
     -11: X=0.66180000 Y=0.89688000 Z=0.62358000
Cl         NPT=  781  R0=.000100000 RMT= 1.90        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000