P LATTICE,NONEQUIV.ATOMS 6 218 P-43n MODE OF CALC=RELA unit=bohr 26.733956 26.733956 26.733956 90.000000 90.000000 90.000000 ATOM -1: X=0.08292000 Y=0.13682000 Z=0.34672000 MULT=24 ISPLIT= 8 -1: X=0.63682000 Y=0.41708000 Z=0.15328000 -1: X=0.08292000 Y=0.86318000 Z=0.65328000 -1: X=0.34672000 Y=0.08292000 Z=0.13682000 -1: X=0.91708000 Y=0.86318000 Z=0.34672000 -1: X=0.36318000 Y=0.41708000 Z=0.84672000 -1: X=0.58292000 Y=0.15328000 Z=0.36318000 -1: X=0.36318000 Y=0.58292000 Z=0.15328000 -1: X=0.91708000 Y=0.13682000 Z=0.65328000 -1: X=0.65328000 Y=0.91708000 Z=0.13682000 -1: X=0.63682000 Y=0.58292000 Z=0.84672000 -1: X=0.41708000 Y=0.84672000 Z=0.36318000 -1: X=0.34672000 Y=0.91708000 Z=0.86318000 -1: X=0.41708000 Y=0.15328000 Z=0.63682000 -1: X=0.65328000 Y=0.08292000 Z=0.86318000 -1: X=0.58292000 Y=0.84672000 Z=0.63682000 -1: X=0.15328000 Y=0.63682000 Z=0.41708000 -1: X=0.13682000 Y=0.34672000 Z=0.08292000 -1: X=0.84672000 Y=0.36318000 Z=0.41708000 -1: X=0.86318000 Y=0.65328000 Z=0.08292000 -1: X=0.15328000 Y=0.36318000 Z=0.58292000 -1: X=0.86318000 Y=0.34672000 Z=0.91708000 -1: X=0.84672000 Y=0.63682000 Z=0.58292000 -1: X=0.13682000 Y=0.65328000 Z=0.91708000 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 ATOM -2: X=0.34600000 Y=0.34600000 Z=0.34600000 MULT= 8 ISPLIT= 4 -2: X=0.84600000 Y=0.15400000 Z=0.15400000 -2: X=0.34600000 Y=0.65400000 Z=0.65400000 -2: X=0.65400000 Y=0.65400000 Z=0.34600000 -2: X=0.15400000 Y=0.15400000 Z=0.84600000 -2: X=0.15400000 Y=0.84600000 Z=0.15400000 -2: X=0.65400000 Y=0.34600000 Z=0.65400000 -2: X=0.84600000 Y=0.84600000 Z=0.84600000 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 3: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 2 3: X=0.50000000 Y=0.50000000 Z=0.50000000 Si NPT= 781 R0=.000100000 RMT= 1.87 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.25000000 Y=0.00000000 Z=0.50000000 MULT= 6 ISPLIT=-2 -4: X=0.50000000 Y=0.25000000 Z=0.00000000 -4: X=0.75000000 Y=0.00000000 Z=0.50000000 -4: X=0.50000000 Y=0.75000000 Z=0.00000000 -4: X=0.00000000 Y=0.50000000 Z=0.25000000 -4: X=0.00000000 Y=0.50000000 Z=0.75000000 Si NPT= 781 R0=.000100000 RMT= 1.87 Z: 14.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -5: X=0.08972000 Y=0.39947000 Z=0.33867000 MULT=24 ISPLIT= 8 -5: X=0.89947000 Y=0.41028000 Z=0.16133000 -5: X=0.08972000 Y=0.60053000 Z=0.66133000 -5: X=0.33867000 Y=0.08972000 Z=0.39947000 -5: X=0.91028000 Y=0.60053000 Z=0.33867000 -5: X=0.10053000 Y=0.41028000 Z=0.83867000 -5: X=0.58972000 Y=0.16133000 Z=0.10053000 -5: X=0.10053000 Y=0.58972000 Z=0.16133000 -5: X=0.91028000 Y=0.39947000 Z=0.66133000 -5: X=0.66133000 Y=0.91028000 Z=0.39947000 -5: X=0.89947000 Y=0.58972000 Z=0.83867000 -5: X=0.41028000 Y=0.83867000 Z=0.10053000 -5: X=0.33867000 Y=0.91028000 Z=0.60053000 -5: X=0.41028000 Y=0.16133000 Z=0.89947000 -5: X=0.66133000 Y=0.08972000 Z=0.60053000 -5: X=0.58972000 Y=0.83867000 Z=0.89947000 -5: X=0.16133000 Y=0.89947000 Z=0.41028000 -5: X=0.39947000 Y=0.33867000 Z=0.08972000 -5: X=0.83867000 Y=0.10053000 Z=0.41028000 -5: X=0.60053000 Y=0.66133000 Z=0.08972000 -5: X=0.16133000 Y=0.10053000 Z=0.58972000 -5: X=0.60053000 Y=0.33867000 Z=0.91028000 -5: X=0.83867000 Y=0.89947000 Z=0.58972000 -5: X=0.39947000 Y=0.66133000 Z=0.91028000 Se NPT= 781 R0=.000050000 RMT= 2.40 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.09279000 Y=0.09279000 Z=0.09279000 MULT= 8 ISPLIT= 4 -6: X=0.59279000 Y=0.40721000 Z=0.40721000 -6: X=0.09279000 Y=0.90721000 Z=0.90721000 -6: X=0.90721000 Y=0.90721000 Z=0.09279000 -6: X=0.40721000 Y=0.40721000 Z=0.59279000 -6: X=0.40721000 Y=0.59279000 Z=0.40721000 -6: X=0.90721000 Y=0.09279000 Z=0.90721000 -6: X=0.59279000 Y=0.59279000 Z=0.59279000 Se NPT= 781 R0=.000050000 RMT= 2.40 Z: 34.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503