P LATTICE,NONEQUIV.ATOMS 4 218 P-43n MODE OF CALC=RELA unit=bohr 25.802321 25.802321 25.802321 90.000000 90.000000 90.000000 ATOM -1: X=0.06628000 Y=0.06628000 Z=0.06628000 MULT= 8 ISPLIT= 4 -1: X=0.56628000 Y=0.43372000 Z=0.43372000 -1: X=0.06628000 Y=0.93372000 Z=0.93372000 -1: X=0.93372000 Y=0.93372000 Z=0.06628000 -1: X=0.43372000 Y=0.43372000 Z=0.56628000 -1: X=0.43372000 Y=0.56628000 Z=0.43372000 -1: X=0.93372000 Y=0.06628000 Z=0.93372000 -1: X=0.56628000 Y=0.56628000 Z=0.56628000 Ge NPT= 781 R0=.000050000 RMT= 2.40 Z: 32.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -2: X=0.06169000 Y=0.42812000 Z=0.31521000 MULT=24 ISPLIT= 8 -2: X=0.92812000 Y=0.43831000 Z=0.18479000 -2: X=0.06169000 Y=0.57188000 Z=0.68479000 -2: X=0.31521000 Y=0.06169000 Z=0.42812000 -2: X=0.93831000 Y=0.57188000 Z=0.31521000 -2: X=0.07188000 Y=0.43831000 Z=0.81521000 -2: X=0.56169000 Y=0.18479000 Z=0.07188000 -2: X=0.07188000 Y=0.56169000 Z=0.18479000 -2: X=0.93831000 Y=0.42812000 Z=0.68479000 -2: X=0.68479000 Y=0.93831000 Z=0.42812000 -2: X=0.92812000 Y=0.56169000 Z=0.81521000 -2: X=0.43831000 Y=0.81521000 Z=0.07188000 -2: X=0.31521000 Y=0.93831000 Z=0.57188000 -2: X=0.43831000 Y=0.18479000 Z=0.92812000 -2: X=0.68479000 Y=0.06169000 Z=0.57188000 -2: X=0.56169000 Y=0.81521000 Z=0.92812000 -2: X=0.18479000 Y=0.92812000 Z=0.43831000 -2: X=0.42812000 Y=0.31521000 Z=0.06169000 -2: X=0.81521000 Y=0.07188000 Z=0.43831000 -2: X=0.57188000 Y=0.68479000 Z=0.06169000 -2: X=0.18479000 Y=0.07188000 Z=0.56169000 -2: X=0.57188000 Y=0.31521000 Z=0.93831000 -2: X=0.81521000 Y=0.92812000 Z=0.56169000 -2: X=0.42812000 Y=0.68479000 Z=0.93831000 Ge NPT= 781 R0=.000050000 RMT= 2.40 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=0.33126000 Y=0.33126000 Z=0.33126000 MULT= 8 ISPLIT= 4 -3: X=0.83126000 Y=0.16874000 Z=0.16874000 -3: X=0.33126000 Y=0.66874000 Z=0.66874000 -3: X=0.66874000 Y=0.66874000 Z=0.33126000 -3: X=0.16874000 Y=0.16874000 Z=0.83126000 -3: X=0.16874000 Y=0.83126000 Z=0.16874000 -3: X=0.66874000 Y=0.33126000 Z=0.66874000 -3: X=0.83126000 Y=0.83126000 Z=0.83126000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -4: X=0.06409000 Y=0.14183000 Z=0.33580000 MULT=24 ISPLIT= 8 -4: X=0.64183000 Y=0.43591000 Z=0.16420000 -4: X=0.06409000 Y=0.85817000 Z=0.66420000 -4: X=0.33580000 Y=0.06409000 Z=0.14183000 -4: X=0.93591000 Y=0.85817000 Z=0.33580000 -4: X=0.35817000 Y=0.43591000 Z=0.83580000 -4: X=0.56409000 Y=0.16420000 Z=0.35817000 -4: X=0.35817000 Y=0.56409000 Z=0.16420000 -4: X=0.93591000 Y=0.14183000 Z=0.66420000 -4: X=0.66420000 Y=0.93591000 Z=0.14183000 -4: X=0.64183000 Y=0.56409000 Z=0.83580000 -4: X=0.43591000 Y=0.83580000 Z=0.35817000 -4: X=0.33580000 Y=0.93591000 Z=0.85817000 -4: X=0.43591000 Y=0.16420000 Z=0.64183000 -4: X=0.66420000 Y=0.06409000 Z=0.85817000 -4: X=0.56409000 Y=0.83580000 Z=0.64183000 -4: X=0.16420000 Y=0.64183000 Z=0.43591000 -4: X=0.14183000 Y=0.33580000 Z=0.06409000 -4: X=0.83580000 Y=0.35817000 Z=0.43591000 -4: X=0.85817000 Y=0.66420000 Z=0.06409000 -4: X=0.16420000 Y=0.35817000 Z=0.56409000 -4: X=0.85817000 Y=0.33580000 Z=0.93591000 -4: X=0.83580000 Y=0.64183000 Z=0.56409000 -4: X=0.14183000 Y=0.66420000 Z=0.93591000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000