H LATTICE,NONEQUIV.ATOMS 7 186 P63mc MODE OF CALC=RELA unit=bohr 13.935218 13.935218 22.600747 90.000000 90.000000120.000000 ATOM -1: X=0.17363000 Y=0.82637000 Z=0.09214000 MULT= 6 ISPLIT= 8 -1: X=0.34726000 Y=0.17363000 Z=0.59214000 -1: X=0.82637000 Y=0.17363000 Z=0.59214000 -1: X=0.17363000 Y=0.34726000 Z=0.09214000 -1: X=0.65274000 Y=0.82637000 Z=0.09214000 -1: X=0.82637000 Y=0.65274000 Z=0.59214000 Sn NPT= 781 R0=.000010000 RMT= 2.08 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000 0.5000000 0.8660254 0.0000000-0.8660254 0.5000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.50728000 Y=0.49272000 Z=0.35203000 MULT= 6 ISPLIT= 8 -2: X=0.01456000 Y=0.50728000 Z=0.85203000 -2: X=0.49272000 Y=0.50728000 Z=0.85203000 -2: X=0.50728000 Y=0.01456000 Z=0.35203000 -2: X=0.98544000 Y=0.49272000 Z=0.35203000 -2: X=0.49272000 Y=0.98544000 Z=0.85203000 Sn NPT= 781 R0=.000010000 RMT= 2.08 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000 0.5000000 0.8660254 0.0000000-0.8660254 0.5000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.33333333 Y=0.66666667 Z=0.59630000 MULT= 2 ISPLIT= 4 -3: X=0.66666666 Y=0.33333333 Z=0.09630000 Si NPT= 781 R0=.000100000 RMT= 1.40 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.54530000 Y=0.45470000 Z=0.04770000 MULT= 6 ISPLIT= 8 -4: X=0.09060000 Y=0.54530000 Z=0.54770000 -4: X=0.45470000 Y=0.54530000 Z=0.54770000 -4: X=0.54530000 Y=0.09060000 Z=0.04770000 -4: X=0.90940000 Y=0.45470000 Z=0.04770000 -4: X=0.45470000 Y=0.90940000 Z=0.54770000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.5000000 0.8660254 0.0000000-0.8660254 0.5000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.33333333 Y=0.66666667 Z=0.73070000 MULT= 2 ISPLIT= 4 -5: X=0.66666666 Y=0.33333333 Z=0.23070000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.33333333 Y=0.66666667 Z=0.11770000 MULT= 2 ISPLIT= 4 -6: X=0.66666666 Y=0.33333333 Z=0.61770000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.80540000 Y=0.19460000 Z=0.42080000 MULT= 6 ISPLIT= 8 -7: X=0.61080000 Y=0.80540000 Z=0.92080000 -7: X=0.19460000 Y=0.80540000 Z=0.92080000 -7: X=0.80540000 Y=0.61080000 Z=0.42080000 -7: X=0.38920000 Y=0.19460000 Z=0.42080000 -7: X=0.19460000 Y=0.38920000 Z=0.92080000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.5000000 0.8660254 0.0000000-0.8660254 0.5000000 1.0000000 0.0000000 0.0000000