P LATTICE,NONEQUIV.ATOMS 4 218 P-43n MODE OF CALC=RELA unit=bohr 24.158259 24.158259 24.158259 90.000000 90.000000 90.000000 ATOM -1: X=0.07089000 Y=0.07089000 Z=0.07089000 MULT= 8 ISPLIT= 4 -1: X=0.57089000 Y=0.42911000 Z=0.42911000 -1: X=0.07089000 Y=0.92911000 Z=0.92911000 -1: X=0.92911000 Y=0.92911000 Z=0.07089000 -1: X=0.42911000 Y=0.42911000 Z=0.57089000 -1: X=0.42911000 Y=0.57089000 Z=0.42911000 -1: X=0.92911000 Y=0.07089000 Z=0.92911000 -1: X=0.57089000 Y=0.57089000 Z=0.57089000 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=0.06461000 Y=0.42236000 Z=0.31992000 MULT=24 ISPLIT= 8 -2: X=0.92236000 Y=0.43539000 Z=0.18008000 -2: X=0.06461000 Y=0.57764000 Z=0.68008000 -2: X=0.31992000 Y=0.06461000 Z=0.42236000 -2: X=0.93539000 Y=0.57764000 Z=0.31992000 -2: X=0.07764000 Y=0.43539000 Z=0.81992000 -2: X=0.56461000 Y=0.18008000 Z=0.07764000 -2: X=0.07764000 Y=0.56461000 Z=0.18008000 -2: X=0.93539000 Y=0.42236000 Z=0.68008000 -2: X=0.68008000 Y=0.93539000 Z=0.42236000 -2: X=0.92236000 Y=0.56461000 Z=0.81992000 -2: X=0.43539000 Y=0.81992000 Z=0.07764000 -2: X=0.31992000 Y=0.93539000 Z=0.57764000 -2: X=0.43539000 Y=0.18008000 Z=0.92236000 -2: X=0.68008000 Y=0.06461000 Z=0.57764000 -2: X=0.56461000 Y=0.81992000 Z=0.92236000 -2: X=0.18008000 Y=0.92236000 Z=0.43539000 -2: X=0.42236000 Y=0.31992000 Z=0.06461000 -2: X=0.81992000 Y=0.07764000 Z=0.43539000 -2: X=0.57764000 Y=0.68008000 Z=0.06461000 -2: X=0.18008000 Y=0.07764000 Z=0.56461000 -2: X=0.57764000 Y=0.31992000 Z=0.93539000 -2: X=0.81992000 Y=0.92236000 Z=0.56461000 -2: X=0.42236000 Y=0.68008000 Z=0.93539000 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=0.33265000 Y=0.33265000 Z=0.33265000 MULT= 8 ISPLIT= 4 -3: X=0.83265000 Y=0.16735000 Z=0.16735000 -3: X=0.33265000 Y=0.66735000 Z=0.66735000 -3: X=0.66735000 Y=0.66735000 Z=0.33265000 -3: X=0.16735000 Y=0.16735000 Z=0.83265000 -3: X=0.16735000 Y=0.83265000 Z=0.16735000 -3: X=0.66735000 Y=0.33265000 Z=0.66735000 -3: X=0.83265000 Y=0.83265000 Z=0.83265000 K NPT= 781 R0=.000050000 RMT= 2.50000 Z: 19.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -4: X=0.06510000 Y=0.14011000 Z=0.33585000 MULT=24 ISPLIT= 8 -4: X=0.64011000 Y=0.43490000 Z=0.16415000 -4: X=0.06510000 Y=0.85989000 Z=0.66415000 -4: X=0.33585000 Y=0.06510000 Z=0.14011000 -4: X=0.93490000 Y=0.85989000 Z=0.33585000 -4: X=0.35989000 Y=0.43490000 Z=0.83585000 -4: X=0.56510000 Y=0.16415000 Z=0.35989000 -4: X=0.35989000 Y=0.56510000 Z=0.16415000 -4: X=0.93490000 Y=0.14011000 Z=0.66415000 -4: X=0.66415000 Y=0.93490000 Z=0.14011000 -4: X=0.64011000 Y=0.56510000 Z=0.83585000 -4: X=0.43490000 Y=0.83585000 Z=0.35989000 -4: X=0.33585000 Y=0.93490000 Z=0.85989000 -4: X=0.43490000 Y=0.16415000 Z=0.64011000 -4: X=0.66415000 Y=0.06510000 Z=0.85989000 -4: X=0.56510000 Y=0.83585000 Z=0.64011000 -4: X=0.16415000 Y=0.64011000 Z=0.43490000 -4: X=0.14011000 Y=0.33585000 Z=0.06510000 -4: X=0.83585000 Y=0.35989000 Z=0.43490000 -4: X=0.85989000 Y=0.66415000 Z=0.06510000 -4: X=0.16415000 Y=0.35989000 Z=0.56510000 -4: X=0.85989000 Y=0.33585000 Z=0.93490000 -4: X=0.83585000 Y=0.64011000 Z=0.56510000 -4: X=0.14011000 Y=0.66415000 Z=0.93490000 K NPT= 781 R0=.000050000 RMT= 2.50000 Z: 19.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000