H LATTICE,NONEQUIV.ATOMS 6 193 P63/mcm MODE OF CALC=RELA unit=bohr 16.640739 16.640739 26.248107 90.000000 90.000000120.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.25000000 MULT= 2 ISPLIT= 4 -1: X=0.00000000 Y=0.00000000 Z=0.75000000 Pt NPT= 781 R0=.000005000 RMT= 2.42 Z: 78.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 -1.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.41483000 Y=0.00000000 Z=0.09080000 MULT=12 ISPLIT= 8 -2: X=0.58517000 Y=0.00000000 Z=0.90920000 -2: X=0.41483000 Y=0.41483000 Z=0.59080000 -2: X=0.58517000 Y=0.58517000 Z=0.40920000 -2: X=0.00000000 Y=0.41483000 Z=0.09080000 -2: X=0.00000000 Y=0.58517000 Z=0.90920000 -2: X=0.58517000 Y=0.00000000 Z=0.59080000 -2: X=0.41483000 Y=0.00000000 Z=0.40920000 -2: X=0.58517000 Y=0.58517000 Z=0.09080000 -2: X=0.41483000 Y=0.41483000 Z=0.90920000 -2: X=0.00000000 Y=0.58517000 Z=0.59080000 -2: X=0.00000000 Y=0.41483000 Z=0.40920000 Pt NPT= 781 R0=.000005000 RMT= 2.42 Z: 78.00000 LOCAL ROT MATRIX: 0.0000000 0.8660254 0.5000000 0.0000000-0.5000000 0.8660254 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.29300000 Y=0.00000000 Z=0.25000000 MULT= 6 ISPLIT= 8 -3: X=0.70700000 Y=0.00000000 Z=0.75000000 -3: X=0.29300000 Y=0.29300000 Z=0.75000000 -3: X=0.70700000 Y=0.70700000 Z=0.25000000 -3: X=0.00000000 Y=0.29300000 Z=0.25000000 -3: X=0.00000000 Y=0.70700000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.19 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 0.5000000 0.8660254 0.0000000 0.8660254-0.5000000 -1.0000000 0.0000000 0.0000000 ATOM -4: X=0.25360000 Y=0.00000000 Z=0.60640000 MULT=12 ISPLIT= 8 -4: X=0.74640000 Y=0.00000000 Z=0.39360000 -4: X=0.25360000 Y=0.25360000 Z=0.10640000 -4: X=0.74640000 Y=0.74640000 Z=0.89360000 -4: X=0.00000000 Y=0.25360000 Z=0.60640000 -4: X=0.00000000 Y=0.74640000 Z=0.39360000 -4: X=0.74640000 Y=0.00000000 Z=0.10640000 -4: X=0.25360000 Y=0.00000000 Z=0.89360000 -4: X=0.74640000 Y=0.74640000 Z=0.60640000 -4: X=0.25360000 Y=0.25360000 Z=0.39360000 -4: X=0.00000000 Y=0.74640000 Z=0.10640000 -4: X=0.00000000 Y=0.25360000 Z=0.89360000 Ca NPT= 781 R0=.000050000 RMT= 2.47 Z: 20.00000 LOCAL ROT MATRIX: 0.0000000 0.8660254 0.5000000 0.0000000-0.5000000 0.8660254 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.33333333 Y=0.66666667 Z=0.00000000 MULT= 4 ISPLIT= 4 -5: X=0.66666667 Y=0.33333333 Z=0.00000000 -5: X=0.66666666 Y=0.33333333 Z=0.50000000 -5: X=0.33333334 Y=0.66666667 Z=0.50000000 Ca NPT= 781 R0=.000050000 RMT= 2.47 Z: 20.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 -1.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.33333333 Y=0.66666667 Z=0.25000000 MULT= 4 ISPLIT= 4 -6: X=0.66666667 Y=0.33333333 Z=0.75000000 -6: X=0.66666667 Y=0.33333333 Z=0.25000000 -6: X=0.33333333 Y=0.66666667 Z=0.75000000 Ca NPT= 781 R0=.000050000 RMT= 2.47 Z: 20.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000