P LATTICE,NONEQUIV.ATOMS 4 218 P-43n MODE OF CALC=RELA unit=bohr 25.511303 25.511303 25.511303 90.000000 90.000000 90.000000 ATOM -1: X=0.33100000 Y=0.33100000 Z=0.33100000 MULT= 8 ISPLIT= 4 -1: X=0.83100000 Y=0.16900000 Z=0.16900000 -1: X=0.33100000 Y=0.66900000 Z=0.66900000 -1: X=0.66900000 Y=0.66900000 Z=0.33100000 -1: X=0.16900000 Y=0.16900000 Z=0.83100000 -1: X=0.16900000 Y=0.83100000 Z=0.16900000 -1: X=0.66900000 Y=0.33100000 Z=0.66900000 -1: X=0.83100000 Y=0.83100000 Z=0.83100000 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 -2: X=0.06200000 Y=0.14100000 Z=0.33600000 MULT=24 ISPLIT= 8 -2: X=0.64100000 Y=0.43800000 Z=0.16400000 -2: X=0.06200000 Y=0.85900000 Z=0.66400000 -2: X=0.33600000 Y=0.06200000 Z=0.14100000 -2: X=0.93800000 Y=0.85900000 Z=0.33600000 -2: X=0.35900000 Y=0.43800000 Z=0.83600000 -2: X=0.56200000 Y=0.16400000 Z=0.35900000 -2: X=0.35900000 Y=0.56200000 Z=0.16400000 -2: X=0.93800000 Y=0.14100000 Z=0.66400000 -2: X=0.66400000 Y=0.93800000 Z=0.14100000 -2: X=0.64100000 Y=0.56200000 Z=0.83600000 -2: X=0.43800000 Y=0.83600000 Z=0.35900000 -2: X=0.33600000 Y=0.93800000 Z=0.85900000 -2: X=0.43800000 Y=0.16400000 Z=0.64100000 -2: X=0.66400000 Y=0.06200000 Z=0.85900000 -2: X=0.56200000 Y=0.83600000 Z=0.64100000 -2: X=0.16400000 Y=0.64100000 Z=0.43800000 -2: X=0.14100000 Y=0.33600000 Z=0.06200000 -2: X=0.83600000 Y=0.35900000 Z=0.43800000 -2: X=0.85900000 Y=0.66400000 Z=0.06200000 -2: X=0.16400000 Y=0.35900000 Z=0.56200000 -2: X=0.85900000 Y=0.33600000 Z=0.93800000 -2: X=0.83600000 Y=0.64100000 Z=0.56200000 -2: X=0.14100000 Y=0.66400000 Z=0.93800000 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 -3: X=0.06300000 Y=0.06300000 Z=0.06300000 MULT= 8 ISPLIT= 4 -3: X=0.56300000 Y=0.43700000 Z=0.43700000 -3: X=0.06300000 Y=0.93700000 Z=0.93700000 -3: X=0.93700000 Y=0.93700000 Z=0.06300000 -3: X=0.43700000 Y=0.43700000 Z=0.56300000 -3: X=0.43700000 Y=0.56300000 Z=0.43700000 -3: X=0.93700000 Y=0.06300000 Z=0.93700000 -3: X=0.56300000 Y=0.56300000 Z=0.56300000 Si NPT= 781 R0=.000100000 RMT= 2.26 Z: 14.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -4: X=0.05900000 Y=0.43100000 Z=0.31500000 MULT=24 ISPLIT= 8 -4: X=0.93100000 Y=0.44100000 Z=0.18500000 -4: X=0.05900000 Y=0.56900000 Z=0.68500000 -4: X=0.31500000 Y=0.05900000 Z=0.43100000 -4: X=0.94100000 Y=0.56900000 Z=0.31500000 -4: X=0.06900000 Y=0.44100000 Z=0.81500000 -4: X=0.55900000 Y=0.18500000 Z=0.06900000 -4: X=0.06900000 Y=0.55900000 Z=0.18500000 -4: X=0.94100000 Y=0.43100000 Z=0.68500000 -4: X=0.68500000 Y=0.94100000 Z=0.43100000 -4: X=0.93100000 Y=0.55900000 Z=0.81500000 -4: X=0.44100000 Y=0.81500000 Z=0.06900000 -4: X=0.31500000 Y=0.94100000 Z=0.56900000 -4: X=0.44100000 Y=0.18500000 Z=0.93100000 -4: X=0.68500000 Y=0.05900000 Z=0.56900000 -4: X=0.55900000 Y=0.81500000 Z=0.93100000 -4: X=0.18500000 Y=0.93100000 Z=0.44100000 -4: X=0.43100000 Y=0.31500000 Z=0.05900000 -4: X=0.81500000 Y=0.06900000 Z=0.44100000 -4: X=0.56900000 Y=0.68500000 Z=0.05900000 -4: X=0.18500000 Y=0.06900000 Z=0.55900000 -4: X=0.56900000 Y=0.31500000 Z=0.94100000 -4: X=0.81500000 Y=0.93100000 Z=0.55900000 -4: X=0.43100000 Y=0.68500000 Z=0.94100000 Si NPT= 781 R0=.000100000 RMT= 2.26 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000