H LATTICE,NONEQUIV.ATOMS 4 186 P63mc MODE OF CALC=RELA unit=bohr 21.505083 21.505083 13.751537 90.000000 90.000000120.000000 ATOM -1: X=0.81200000 Y=0.18800000 Z=0.33100000 MULT= 6 ISPLIT= 8 -1: X=0.62400000 Y=0.81200000 Z=0.83100000 -1: X=0.18800000 Y=0.81200000 Z=0.83100000 -1: X=0.81200000 Y=0.62400000 Z=0.33100000 -1: X=0.37600000 Y=0.18800000 Z=0.33100000 -1: X=0.18800000 Y=0.37600000 Z=0.83100000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 0.0000000 0.5000000 0.8660254 0.0000000-0.8660254 0.5000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.33333333 Y=0.66666667 Z=0.04500000 MULT= 2 ISPLIT= 4 -2: X=0.66666666 Y=0.33333333 Z=0.54500000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.12500000 Y=0.87500000 Z=0.25000000 MULT= 6 ISPLIT= 8 -3: X=0.25000000 Y=0.12500000 Z=0.75000000 -3: X=0.87500000 Y=0.12500000 Z=0.75000000 -3: X=0.12500000 Y=0.25000000 Z=0.25000000 -3: X=0.75000000 Y=0.87500000 Z=0.25000000 -3: X=0.87500000 Y=0.75000000 Z=0.75000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 0.5000000 0.8660254 0.0000000-0.8660254 0.5000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.54300000 Y=0.45700000 Z=0.06600000 MULT= 6 ISPLIT= 8 -4: X=0.08600000 Y=0.54300000 Z=0.56600000 -4: X=0.45700000 Y=0.54300000 Z=0.56600000 -4: X=0.54300000 Y=0.08600000 Z=0.06600000 -4: X=0.91400000 Y=0.45700000 Z=0.06600000 -4: X=0.45700000 Y=0.91400000 Z=0.56600000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 0.5000000 0.8660254 0.0000000-0.8660254 0.5000000 1.0000000 0.0000000 0.0000000