P   LATTICE,NONEQUIV.ATOMS  16    1 P1                                         
MODE OF CALC=RELA unit=bohr                                                    
 10.234757 10.425619 12.959742104.890000102.050000106.800000                   
ATOM  -1: X=0.36700000 Y=0.23900000 Z=0.56000000
          MULT= 1          ISPLIT= 8
Ge         NPT=  781  R0=.000050000 RMT= 1.67        Z:  32.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.36700000 Y=0.23700000 Z=0.05800000
          MULT= 1          ISPLIT= 8
Ge         NPT=  781  R0=.000050000 RMT= 1.67        Z:  32.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.67700000 Y=0.91600000 Z=0.80200000
          MULT= 1          ISPLIT= 8
Ge         NPT=  781  R0=.000050000 RMT= 1.67        Z:  32.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.05600000 Y=0.55300000 Z=0.31600000
          MULT= 1          ISPLIT= 8
Ge         NPT=  781  R0=.000050000 RMT= 1.67        Z:  32.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.02500000 Y=0.55600000 Z=0.82800000
          MULT= 1          ISPLIT= 8
Ca         NPT=  781  R0=.000050000 RMT= 2.14        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.70300000 Y=0.91400000 Z=0.29300000
          MULT= 1          ISPLIT= 8
Ca         NPT=  781  R0=.000050000 RMT= 2.14        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.65200000 Y=0.10800000 Z=0.64200000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.61400000 Y=0.58800000 Z=0.63200000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.45000000 Y=0.91900000 Z=0.95500000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -10: X=0.75500000 Y=0.47000000 Z=0.13200000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -11: X=0.28900000 Y=0.54000000 Z=0.18100000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -12: X=0.05400000 Y=0.33200000 Z=0.46400000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -13: X=0.10100000 Y=0.86900000 Z=0.47500000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -14: X=0.43400000 Y=0.16400000 Z=0.31400000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -15: X=0.29500000 Y=0.30500000 Z=0.82200000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -16: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000