P LATTICE,NONEQUIV.ATOMS 2 62 Pnma MODE OF CALC=RELA unit=bohr 9.843772 9.346208 11.317570 90.000000 90.000000 90.000000 ATOM -1: X=0.08731000 Y=0.25000000 Z=0.62422000 MULT= 4 ISPLIT= 8 -1: X=0.91269000 Y=0.75000000 Z=0.37578000 -1: X=0.58731000 Y=0.25000000 Z=0.87578000 -1: X=0.41269000 Y=0.75000000 Z=0.12422000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.08471000 Y=0.25000000 Z=0.12439000 MULT= 4 ISPLIT= 8 -2: X=0.91529000 Y=0.75000000 Z=0.87561000 -2: X=0.58471000 Y=0.25000000 Z=0.37561000 -2: X=0.41529000 Y=0.75000000 Z=0.62439000 I NPT= 781 R0=.000010000 RMT= 2.50000 Z: 53.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000