P LATTICE,NONEQUIV.ATOMS 4 11 P21/m MODE OF CALC=RELA unit=bohr 19.003086 11.109700 7.374089 90.000000 90.000000 97.980000 ATOM -1: X=0.65600000 Y=0.71200000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.34400000 Y=0.28800000 Z=0.75000000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 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=0.55400000 Y=0.23800000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.44600000 Y=0.76200000 Z=0.75000000 Te NPT= 781 R0=.000010000 RMT= 2.38 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.17400000 Y=0.54400000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.82600000 Y=0.45600000 Z=0.75000000 Te NPT= 781 R0=.000010000 RMT= 2.38 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.16900000 Y=0.11200000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.83100000 Y=0.88800000 Z=0.75000000 Te NPT= 781 R0=.000010000 RMT= 2.38 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000