H LATTICE,NONEQUIV.ATOMS 3 194 P63/mmc MODE OF CALC=RELA unit=bohr 10.018383 10.018383 16.083837 90.000000 90.000000120.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT=15 -1: X=0.00000000 Y=0.00000000 Z=0.50000000 U NPT= 781 R0=.000005000 RMT= 2.00000 Z: 92.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.33333333 Y=0.66666667 Z=0.02620000 MULT= 4 ISPLIT=15 -2: X=0.66666667 Y=0.33333333 Z=0.97380000 -2: X=0.66666666 Y=0.33333333 Z=0.52620000 -2: X=0.33333334 Y=0.66666667 Z=0.47380000 Pd NPT= 781 R0=.000010000 RMT= 2.00000 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 -3: X=0.50550000 Y=0.01100000 Z=0.25000000 MULT= 6 ISPLIT=15 -3: X=0.49450000 Y=0.98900000 Z=0.75000000 -3: X=0.49450000 Y=0.50550000 Z=0.75000000 -3: X=0.50550000 Y=0.49450000 Z=0.25000000 -3: X=0.01100000 Y=0.50550000 Z=0.75000000 -3: X=0.98900000 Y=0.49450000 Z=0.25000000 Ga NPT= 781 R0=.000050000 RMT= 2.00000 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000