P LATTICE,NONEQUIV.ATOMS 3 129 P4/nmm MODE OF CALC=RELA unit=bohr 5.822246 5.822246 14.739864 90.000000 90.000000 90.000000 ATOM -1: X=0.25000000 Y=0.25000000 Z=0.66500000 MULT= 2 ISPLIT=-2 -1: X=0.75000000 Y=0.75000000 Z=0.33500000 Ta NPT= 781 R0=.000005000 RMT= 2.27 Z: 73.00000 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=0.10000000 MULT= 2 ISPLIT=-2 -2: X=0.75000000 Y=0.75000000 Z=0.90000000 Mo NPT= 781 R0=.000010000 RMT= 2.23 Z: 42.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.25000000 Y=0.25000000 Z=0.38300000 MULT= 2 ISPLIT=-2 -3: X=0.75000000 Y=0.75000000 Z=0.61700000 N NPT= 781 R0=.000100000 RMT= 1.86 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000