P LATTICE,NONEQUIV.ATOMS 6 19 P212121 MODE OF CALC=RELA unit=bohr 8.554790 13.432173 18.819783 90.000000 90.000000 90.000000 ATOM -1: X=0.02440000 Y=0.09350000 Z=0.22410000 MULT= 4 ISPLIT= 8 -1: X=0.47560000 Y=0.90650000 Z=0.72410000 -1: X=0.52440000 Y=0.40650000 Z=0.77590000 -1: X=0.97560000 Y=0.59350000 Z=0.27590000 Ag NPT= 781 R0=.000010000 RMT= 2.17 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.57750000 Y=0.36410000 Z=0.11110000 MULT= 4 ISPLIT= 8 -2: X=0.92250000 Y=0.63590000 Z=0.61110000 -2: X=0.07750000 Y=0.13590000 Z=0.88890000 -2: X=0.42250000 Y=0.86410000 Z=0.38890000 Ag NPT= 781 R0=.000010000 RMT= 2.17 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.44510000 Y=0.35870000 Z=0.43720000 MULT= 4 ISPLIT= 8 -3: X=0.05490000 Y=0.64130000 Z=0.93720000 -3: X=0.94510000 Y=0.14130000 Z=0.56280000 -3: X=0.55490000 Y=0.85870000 Z=0.06280000 Si NPT= 781 R0=.000100000 RMT= 1.40 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=0.20050000 Y=0.30820000 Z=0.55420000 MULT= 4 ISPLIT= 8 -4: X=0.29950000 Y=0.69180000 Z=0.05420000 -4: X=0.70050000 Y=0.19180000 Z=0.44580000 -4: X=0.79950000 Y=0.80820000 Z=0.94580000 O NPT= 781 R0=.000100000 RMT= 1.63 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.41130000 Y=0.06210000 Z=0.03280000 MULT= 4 ISPLIT= 8 -5: X=0.08870000 Y=0.93790000 Z=0.53280000 -5: X=0.91130000 Y=0.43790000 Z=0.96720000 -5: X=0.58870000 Y=0.56210000 Z=0.46720000 O NPT= 781 R0=.000100000 RMT= 1.63 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.28820000 Y=0.34320000 Z=0.29220000 MULT= 4 ISPLIT= 8 -6: X=0.21180000 Y=0.65680000 Z=0.79220000 -6: X=0.78820000 Y=0.15680000 Z=0.70780000 -6: X=0.71180000 Y=0.84320000 Z=0.20780000 O NPT= 781 R0=.000100000 RMT= 1.63 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000