P   LATTICE,NONEQUIV.ATOMS  13    6 Pm                                         
MODE OF CALC=RELA unit=bohr                                                    
 17.761914 12.352951  6.063753 90.000000 90.000000109.592000                   
ATOM  -1: X=0.21950000 Y=0.38870000 Z=0.50000000
          MULT= 1          ISPLIT= 8
Mo         NPT=  781  R0=.000010000 RMT= 2.41        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=0.00010000 Y=0.62770000 Z=0.50000000
          MULT= 1          ISPLIT= 8
Mo         NPT=  781  R0=.000010000 RMT= 2.41        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  -3: X=0.46630000 Y=0.18180000 Z=0.50000000
          MULT= 1          ISPLIT= 8
Mo         NPT=  781  R0=.000010000 RMT= 2.41        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  -4: X=0.52560000 Y=0.74560000 Z=0.50000000
          MULT= 1          ISPLIT= 8
Mo         NPT=  781  R0=.000010000 RMT= 2.41        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  -5: X=0.79010000 Y=0.18260000 Z=0.50000000
          MULT= 1          ISPLIT= 8
Mo         NPT=  781  R0=.000010000 RMT= 2.41        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  -6: X=0.27240000 Y=0.78240000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Mo         NPT=  781  R0=.000010000 RMT= 2.41        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  -7: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Mo         NPT=  781  R0=.000010000 RMT= 2.41        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  -8: X=0.71720000 Y=0.51190000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Mo         NPT=  781  R0=.000010000 RMT= 2.41        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  -9: X=0.80260000 Y=0.81880000 Z=0.50000000
          MULT= 1          ISPLIT= 8
P          NPT=  781  R0=.000100000 RMT= 1.97        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 -10: X=0.20510000 Y=0.01230000 Z=0.50000000
          MULT= 1          ISPLIT= 8
P          NPT=  781  R0=.000100000 RMT= 1.97        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 -11: X=0.42850000 Y=0.45460000 Z=0.00000000
          MULT= 1          ISPLIT= 8
P          NPT=  781  R0=.000100000 RMT= 1.97        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 -12: X=0.59110000 Y=0.04400000 Z=0.00000000
          MULT= 1          ISPLIT= 8
P          NPT=  781  R0=.000100000 RMT= 1.97        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 -13: X=0.00530000 Y=0.37000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
P          NPT=  781  R0=.000100000 RMT= 1.97        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000