P LATTICE,NONEQUIV.ATOMS 4 218 P-43n MODE OF CALC=RELA unit=bohr 23.848344 23.848344 23.848344 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 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 -2: X=0.06400000 Y=0.14100000 Z=0.33600000 MULT=24 ISPLIT= 8 -2: X=0.64100000 Y=0.43600000 Z=0.16400000 -2: X=0.06400000 Y=0.85900000 Z=0.66400000 -2: X=0.33600000 Y=0.06400000 Z=0.14100000 -2: X=0.93600000 Y=0.85900000 Z=0.33600000 -2: X=0.35900000 Y=0.43600000 Z=0.83600000 -2: X=0.56400000 Y=0.16400000 Z=0.35900000 -2: X=0.35900000 Y=0.56400000 Z=0.16400000 -2: X=0.93600000 Y=0.14100000 Z=0.66400000 -2: X=0.66400000 Y=0.93600000 Z=0.14100000 -2: X=0.64100000 Y=0.56400000 Z=0.83600000 -2: X=0.43600000 Y=0.83600000 Z=0.35900000 -2: X=0.33600000 Y=0.93600000 Z=0.85900000 -2: X=0.43600000 Y=0.16400000 Z=0.64100000 -2: X=0.66400000 Y=0.06400000 Z=0.85900000 -2: X=0.56400000 Y=0.83600000 Z=0.64100000 -2: X=0.16400000 Y=0.64100000 Z=0.43600000 -2: X=0.14100000 Y=0.33600000 Z=0.06400000 -2: X=0.83600000 Y=0.35900000 Z=0.43600000 -2: X=0.85900000 Y=0.66400000 Z=0.06400000 -2: X=0.16400000 Y=0.35900000 Z=0.56400000 -2: X=0.85900000 Y=0.33600000 Z=0.93600000 -2: X=0.83600000 Y=0.64100000 Z=0.56400000 -2: X=0.14100000 Y=0.66400000 Z=0.93600000 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 ATOM -3: X=0.06800000 Y=0.06800000 Z=0.06800000 MULT= 8 ISPLIT= 4 -3: X=0.56800000 Y=0.43200000 Z=0.43200000 -3: X=0.06800000 Y=0.93200000 Z=0.93200000 -3: X=0.93200000 Y=0.93200000 Z=0.06800000 -3: X=0.43200000 Y=0.43200000 Z=0.56800000 -3: X=0.43200000 Y=0.56800000 Z=0.43200000 -3: X=0.93200000 Y=0.06800000 Z=0.93200000 -3: X=0.56800000 Y=0.56800000 Z=0.56800000 Si NPT= 781 R0=.000100000 RMT= 2.28 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=0.06300000 Y=0.42700000 Z=0.31800000 MULT=24 ISPLIT= 8 -4: X=0.92700000 Y=0.43700000 Z=0.18200000 -4: X=0.06300000 Y=0.57300000 Z=0.68200000 -4: X=0.31800000 Y=0.06300000 Z=0.42700000 -4: X=0.93700000 Y=0.57300000 Z=0.31800000 -4: X=0.07300000 Y=0.43700000 Z=0.81800000 -4: X=0.56300000 Y=0.18200000 Z=0.07300000 -4: X=0.07300000 Y=0.56300000 Z=0.18200000 -4: X=0.93700000 Y=0.42700000 Z=0.68200000 -4: X=0.68200000 Y=0.93700000 Z=0.42700000 -4: X=0.92700000 Y=0.56300000 Z=0.81800000 -4: X=0.43700000 Y=0.81800000 Z=0.07300000 -4: X=0.31800000 Y=0.93700000 Z=0.57300000 -4: X=0.43700000 Y=0.18200000 Z=0.92700000 -4: X=0.68200000 Y=0.06300000 Z=0.57300000 -4: X=0.56300000 Y=0.81800000 Z=0.92700000 -4: X=0.18200000 Y=0.92700000 Z=0.43700000 -4: X=0.42700000 Y=0.31800000 Z=0.06300000 -4: X=0.81800000 Y=0.07300000 Z=0.43700000 -4: X=0.57300000 Y=0.68200000 Z=0.06300000 -4: X=0.18200000 Y=0.07300000 Z=0.56300000 -4: X=0.57300000 Y=0.31800000 Z=0.93700000 -4: X=0.81800000 Y=0.92700000 Z=0.56300000 -4: X=0.42700000 Y=0.68200000 Z=0.93700000 Si NPT= 781 R0=.000100000 RMT= 2.28 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000