H LATTICE,NONEQUIV.ATOMS 9 176 P63/m MODE OF CALC=RELA unit=bohr 20.667935 20.667935 11.109700 90.000000 90.000000120.000000 ATOM -1: X=0.33333333 Y=0.66666667 Z=0.25000000 MULT= 2 ISPLIT= 4 -1: X=0.66666667 Y=0.33333333 Z=0.75000000 Sr NPT= 781 R0=.000010000 RMT= 2.38 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.50000000 Y=0.00000000 Z=0.00000000 MULT= 6 ISPLIT= 8 -2: X=0.50000000 Y=0.50000000 Z=0.50000000 -2: X=0.00000000 Y=0.50000000 Z=0.00000000 -2: X=0.50000000 Y=0.00000000 Z=0.50000000 -2: X=0.50000000 Y=0.50000000 Z=0.00000000 -2: X=0.00000000 Y=0.50000000 Z=0.50000000 Ge NPT= 781 R0=.000050000 RMT= 1.70 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=0.38840000 Y=0.17550000 Z=0.25000000 MULT= 6 ISPLIT= 8 -3: X=0.61160000 Y=0.82450000 Z=0.75000000 -3: X=0.21290000 Y=0.38840000 Z=0.75000000 -3: X=0.78710000 Y=0.61160000 Z=0.25000000 -3: X=0.82450000 Y=0.21290000 Z=0.25000000 -3: X=0.17550000 Y=0.78710000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 1.70 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=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 4 -4: X=0.00000000 Y=0.00000000 Z=0.50000000 Na NPT= 781 R0=.000100000 RMT= 2.19 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.16050000 Y=0.28410000 Z=0.25000000 MULT= 6 ISPLIT= 8 -5: X=0.83950000 Y=0.71590000 Z=0.75000000 -5: X=0.87640000 Y=0.16050000 Z=0.75000000 -5: X=0.12360000 Y=0.83950000 Z=0.25000000 -5: X=0.71590000 Y=0.87640000 Z=0.25000000 -5: X=0.28410000 Y=0.12360000 Z=0.75000000 Na NPT= 781 R0=.000100000 RMT= 2.19 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.46820000 Y=0.15470000 Z=0.00000000 MULT=12 ISPLIT= 8 -6: X=0.53180000 Y=0.84530000 Z=0.00000000 -6: X=0.31350000 Y=0.46820000 Z=0.50000000 -6: X=0.68650000 Y=0.53180000 Z=0.50000000 -6: X=0.84530000 Y=0.31350000 Z=0.00000000 -6: X=0.15470000 Y=0.68650000 Z=0.00000000 -6: X=0.53180000 Y=0.84530000 Z=0.50000000 -6: X=0.46820000 Y=0.15470000 Z=0.50000000 -6: X=0.68650000 Y=0.53180000 Z=0.00000000 -6: X=0.31350000 Y=0.46820000 Z=0.00000000 -6: X=0.15470000 Y=0.68650000 Z=0.50000000 -6: X=0.84530000 Y=0.31350000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 1.54 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 -7: X=0.20650000 Y=0.08200000 Z=0.25000000 MULT= 6 ISPLIT= 8 -7: X=0.79350000 Y=0.91800000 Z=0.75000000 -7: X=0.12450000 Y=0.20650000 Z=0.75000000 -7: X=0.87550000 Y=0.79350000 Z=0.25000000 -7: X=0.91800000 Y=0.12450000 Z=0.25000000 -7: X=0.08200000 Y=0.87550000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 1.54 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=0.44790000 Y=0.36040000 Z=0.25000000 MULT= 6 ISPLIT= 8 -8: X=0.55210000 Y=0.63960000 Z=0.75000000 -8: X=0.08750000 Y=0.44790000 Z=0.75000000 -8: X=0.91250000 Y=0.55210000 Z=0.25000000 -8: X=0.63960000 Y=0.08750000 Z=0.25000000 -8: X=0.36040000 Y=0.91250000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 1.54 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=0.07680000 Y=0.46320000 Z=0.25000000 MULT= 6 ISPLIT= 8 -9: X=0.92320000 Y=0.53680000 Z=0.75000000 -9: X=0.61360000 Y=0.07680000 Z=0.75000000 -9: X=0.38640000 Y=0.92320000 Z=0.25000000 -9: X=0.53680000 Y=0.61360000 Z=0.25000000 -9: X=0.46320000 Y=0.38640000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000