P LATTICE,NONEQUIV.ATOMS 2 62 Pnma MODE OF CALC=RELA unit=bohr 14.210741 8.862816 11.262768 90.000000 90.000000 90.000000 ATOM -1: X=0.16400000 Y=0.25000000 Z=0.64700000 MULT= 4 ISPLIT=15 -1: X=0.83600000 Y=0.75000000 Z=0.35300000 -1: X=0.66400000 Y=0.25000000 Z=0.85300000 -1: X=0.33600000 Y=0.75000000 Z=0.14700000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.04100000 Y=0.25000000 Z=0.10300000 MULT= 4 ISPLIT=15 -2: X=0.95900000 Y=0.75000000 Z=0.89700000 -2: X=0.54100000 Y=0.25000000 Z=0.39700000 -2: X=0.45900000 Y=0.75000000 Z=0.60300000 Au NPT= 781 R0=.000005000 RMT= 2.00000 Z: 79.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000