P LATTICE,NONEQUIV.ATOMS 2 59 Pmmn MODE OF CALC=RELA unit=bohr 10.123263 10.794116 5.788231 90.000000 90.000000 90.000000 ATOM -1: X=0.25000000 Y=0.25000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.75000000 Y=0.75000000 Z=0.00000000 In NPT= 781 R0=.000010000 RMT= 2.50000 Z: 49.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.25000000 Y=0.75000000 Z=0.16500000 MULT= 2 ISPLIT= 8 -2: X=0.75000000 Y=0.25000000 Z=0.83500000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000