P   LATTICE,NONEQUIV.ATOMS   7    2 P-1                                        
MODE OF CALC=RELA unit=bohr                                                    
 12.198749 18.778020 26.698429 97.300000 95.856000106.440000                   
ATOM  -1: X=0.42000000 Y=0.61200000 Z=0.01400000
          MULT= 2          ISPLIT= 8
      -1: X=0.58000000 Y=0.38800000 Z=0.98600000
Nb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.14000000 Y=0.23400000 Z=0.86500000
          MULT= 2          ISPLIT= 8
      -2: X=0.86000000 Y=0.76600000 Z=0.13500000
Nb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.42100000 Y=0.72400000 Z=0.23500000
          MULT= 2          ISPLIT= 8
      -3: X=0.57900000 Y=0.27600000 Z=0.76500000
Nb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00300000 Y=0.16000000 Z=0.29000000
          MULT= 2          ISPLIT= 8
      -4: X=0.99700000 Y=0.84000000 Z=0.71000000
Nb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.53400000 Y=0.10800000 Z=0.39100000
          MULT= 2          ISPLIT= 8
      -5: X=0.46600000 Y=0.89200000 Z=0.60900000
Nb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.12400000 Y=0.33000000 Z=0.07200000
          MULT= 2          ISPLIT= 8
      -6: X=0.87600000 Y=0.67000000 Z=0.92800000
Nb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.28000000 Y=0.52200000 Z=0.45700000
          MULT= 2          ISPLIT= 8
      -7: X=0.72000000 Y=0.47800000 Z=0.54300000
Nb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000