P LATTICE,NONEQUIV.ATOMS 3 51 Pmma MODE OF CALC=RELA unit=bohr 14.125703 7.534338 9.240761 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.50000000 Y=0.00000000 Z=0.00000000 Mg NPT= 781 R0=.000100000 RMT= 2.08 Z: 12.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.25000000 Y=0.50000000 Z=0.44700000 MULT= 2 ISPLIT= 8 -2: X=0.75000000 Y=0.50000000 Z=0.55300000 Cl NPT= 781 R0=.000100000 RMT= 2.08 Z: 17.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.25000000 Y=0.00000000 Z=0.24500000 MULT= 2 ISPLIT= 8 -3: X=0.75000000 Y=0.00000000 Z=0.75500000 Cl NPT= 781 R0=.000100000 RMT= 2.08 Z: 17.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000