P LATTICE,NONEQUIV.ATOMS 2 129 P4/nmm MODE OF CALC=RELA unit=bohr 6.196412 6.196412 11.406387 90.000000 90.000000 90.000000 ATOM -1: X=0.25000000 Y=0.25000000 Z=0.60800000 MULT= 2 ISPLIT=-2 -1: X=0.75000000 Y=0.75000000 Z=0.39200000 Pd NPT= 781 R0=.000010000 RMT= 2.50 Z: 46.00000 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=0.25000000 Z=0.14600000 MULT= 2 ISPLIT=-2 -2: X=0.75000000 Y=0.75000000 Z=0.85400000 Ta NPT= 781 R0=.000005000 RMT= 2.50000 Z: 73.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000