P LATTICE,NONEQUIV.ATOMS 7 62 Pnma MODE OF CALC=RELA unit=bohr 25.341227 9.956967 19.764646 90.000000 90.000000 90.000000 ATOM -1: X=0.04104000 Y=0.25000000 Z=0.35950000 MULT= 4 ISPLIT= 8 -1: X=0.95896000 Y=0.75000000 Z=0.64050000 -1: X=0.54104000 Y=0.25000000 Z=0.14050000 -1: X=0.45896000 Y=0.75000000 Z=0.85950000 Hg NPT= 781 R0=.000005000 RMT= 2.50000 Z: 80.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.09730000 Y=0.25000000 Z=0.63600000 MULT= 4 ISPLIT= 8 -2: X=0.90270000 Y=0.75000000 Z=0.36400000 -2: X=0.59730000 Y=0.25000000 Z=0.86400000 -2: X=0.40270000 Y=0.75000000 Z=0.13600000 Hg NPT= 781 R0=.000005000 RMT= 2.50000 Z: 80.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.13570000 Y=0.25000000 Z=0.10680000 MULT= 4 ISPLIT= 8 -3: X=0.86430000 Y=0.75000000 Z=0.89320000 -3: X=0.63570000 Y=0.25000000 Z=0.39320000 -3: X=0.36430000 Y=0.75000000 Z=0.60680000 Hg NPT= 781 R0=.000005000 RMT= 2.50000 Z: 80.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.30670000 Y=0.25000000 Z=0.73130000 MULT= 4 ISPLIT= 8 -4: X=0.69330000 Y=0.75000000 Z=0.26870000 -4: X=0.80670000 Y=0.25000000 Z=0.76870000 -4: X=0.19330000 Y=0.75000000 Z=0.23130000 Hg NPT= 781 R0=.000005000 RMT= 2.50000 Z: 80.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.34110000 Y=0.25000000 Z=0.00440000 MULT= 4 ISPLIT= 8 -5: X=0.65890000 Y=0.75000000 Z=0.99560000 -5: X=0.84110000 Y=0.25000000 Z=0.49560000 -5: X=0.15890000 Y=0.75000000 Z=0.50440000 Hg NPT= 781 R0=.000005000 RMT= 2.50000 Z: 80.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.50726000 Y=0.25000000 Z=0.61140000 MULT= 4 ISPLIT= 8 -6: X=0.49274000 Y=0.75000000 Z=0.38860000 -6: X=0.00726000 Y=0.25000000 Z=0.88860000 -6: X=0.99274000 Y=0.75000000 Z=0.11140000 Hg NPT= 781 R0=.000005000 RMT= 2.50000 Z: 80.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -7: X=0.32010000 Y=0.25000000 Z=0.37050000 MULT= 4 ISPLIT= 8 -7: X=0.67990000 Y=0.75000000 Z=0.62950000 -7: X=0.82010000 Y=0.25000000 Z=0.12950000 -7: X=0.17990000 Y=0.75000000 Z=0.87050000 K NPT= 781 R0=.000050000 RMT= 2.50000 Z: 19.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000