P LATTICE,NONEQUIV.ATOMS 4 2 P-1 MODE OF CALC=RELA unit=bohr 13.519101 14.116254 14.428059107.820000103.340000 90.950000 ATOM -1: X=0.68970000 Y=0.10110000 Z=0.28180000 MULT= 2 ISPLIT= 8 -1: X=0.31030000 Y=0.89890000 Z=0.71820000 Hg NPT= 781 R0=.000005000 RMT= 2.50000 Z: 80.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.36910000 Y=0.25340000 Z=0.05490000 MULT= 2 ISPLIT= 8 -2: X=0.63090000 Y=0.74660000 Z=0.94510000 Hg NPT= 781 R0=.000005000 RMT= 2.50000 Z: 80.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.25750000 Y=0.34100000 Z=0.55100000 MULT= 2 ISPLIT= 8 -3: X=0.74250000 Y=0.65900000 Z=0.44900000 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 -4: X=0.18390000 Y=0.78790000 Z=0.14290000 MULT= 2 ISPLIT= 8 -4: X=0.81610000 Y=0.21210000 Z=0.85710000 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