P LATTICE,NONEQUIV.ATOMS 2 221 Pm-3m MODE OF CALC=RELA unit=bohr 7.855403 7.855403 7.855403 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT=15 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=0.19960000 Y=0.50000000 Z=0.50000000 MULT= 6 ISPLIT=15 -2: X=0.80040000 Y=0.50000000 Z=0.50000000 -2: X=0.50000000 Y=0.19960000 Z=0.50000000 -2: X=0.50000000 Y=0.80040000 Z=0.50000000 -2: X=0.50000000 Y=0.50000000 Z=0.19960000 -2: X=0.50000000 Y=0.50000000 Z=0.80040000 B NPT= 781 R0=.000100000 RMT= 2.00000 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000