P LATTICE,NONEQUIV.ATOMS 4 11 P21/m MODE OF CALC=RELA unit=bohr 17.816338 10.181844 7.032805 90.000000 90.000000 97.780000 ATOM -1: X=0.65600000 Y=0.71500000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.34400000 Y=0.28500000 Z=0.75000000 Hf NPT= 781 R0=.000005000 RMT= 2.49 Z: 72.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.55300000 Y=0.23700000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.44700000 Y=0.76300000 Z=0.75000000 Se NPT= 781 R0=.000050000 RMT= 2.19 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.17300000 Y=0.54600000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.82700000 Y=0.45400000 Z=0.75000000 Se NPT= 781 R0=.000050000 RMT= 2.19 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.16700000 Y=0.11100000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.83300000 Y=0.88900000 Z=0.75000000 Se NPT= 781 R0=.000050000 RMT= 2.19 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000