P   LATTICE,NONEQUIV.ATOMS  12    2 P-1                                        
MODE OF CALC=RELA unit=bohr                                                    
 10.667504 14.821122 17.897596 89.470000 82.010000 74.780000                   
ATOM  -1: X=0.07290000 Y=0.26890000 Z=0.22650000
          MULT= 2          ISPLIT= 8
      -1: X=0.92710000 Y=0.73110000 Z=0.77350000
As         NPT=  781  R0=.000050000 RMT= 1.58        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.47640000 Y=0.70190000 Z=0.14470000
          MULT= 2          ISPLIT= 8
      -2: X=0.52360000 Y=0.29810000 Z=0.85530000
S          NPT=  781  R0=.000100000 RMT= 1.46        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.26740000 Y=0.15710000 Z=0.80410000
          MULT= 2          ISPLIT= 8
      -3: X=0.73260000 Y=0.84290000 Z=0.19590000
S          NPT=  781  R0=.000100000 RMT= 1.46        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.55250000 Y=0.23780000 Z=0.56790000
          MULT= 2          ISPLIT= 8
      -4: X=0.44750000 Y=0.76220000 Z=0.43210000
S          NPT=  781  R0=.000100000 RMT= 1.46        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.35330000 Y=0.68520000 Z=0.30640000
          MULT= 2          ISPLIT= 8
      -5: X=0.64670000 Y=0.31480000 Z=0.69360000
N          NPT=  781  R0=.000100000 RMT= 1.46        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.33640000 Y=0.15700000 Z=0.63490000
          MULT= 2          ISPLIT= 8
      -6: X=0.66360000 Y=0.84300000 Z=0.36510000
N          NPT=  781  R0=.000100000 RMT= 1.46        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.27500000 Y=0.13450000 Z=0.09530000
          MULT= 2          ISPLIT= 8
      -7: X=0.72500000 Y=0.86550000 Z=0.90470000
F          NPT=  781  R0=.000100000 RMT= 1.50        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.31620000 Y=0.26480000 Z=0.31420000
          MULT= 2          ISPLIT= 8
      -8: X=0.68380000 Y=0.73520000 Z=0.68580000
F          NPT=  781  R0=.000100000 RMT= 1.50        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.83420000 Y=0.26870000 Z=0.14560000
          MULT= 2          ISPLIT= 8
      -9: X=0.16580000 Y=0.73130000 Z=0.85440000
F          NPT=  781  R0=.000100000 RMT= 1.50        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -10: X=0.12780000 Y=0.44540000 Z=0.13340000
          MULT= 2          ISPLIT= 8
     -10: X=0.87220000 Y=0.55460000 Z=0.86660000
F          NPT=  781  R0=.000100000 RMT= 1.50        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -11: X=0.12770000 Y=0.59360000 Z=0.64680000
          MULT= 2          ISPLIT= 8
     -11: X=0.87230000 Y=0.40640000 Z=0.35320000
F          NPT=  781  R0=.000100000 RMT= 1.50        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -12: X=0.02500000 Y=0.08690000 Z=0.31660000
          MULT= 2          ISPLIT= 8
     -12: X=0.97500000 Y=0.91310000 Z=0.68340000
F          NPT=  781  R0=.000100000 RMT= 1.50        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000