R LATTICE,NONEQUIV.ATOMS 3 148 R-3 MODE OF CALC=RELA unit=bohr 9.092417 9.092417 26.451250 90.000000 90.000000120.000000 ATOM -1: X=0.13080000 Y=0.13080000 Z=0.13080000 MULT= 2 ISPLIT= 4 -1: X=0.86920000 Y=0.86920000 Z=0.86920000 Zn NPT= 781 R0=.000050000 RMT= 2.02 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.33930000 Y=0.33930000 Z=0.33930000 MULT= 2 ISPLIT= 4 -2: X=0.66070000 Y=0.66070000 Z=0.66070000 Si NPT= 781 R0=.000100000 RMT= 1.51 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 -3: X=0.08030000 Y=0.44500000 Z=0.68890000 MULT= 6 ISPLIT= 8 -3: X=0.91970000 Y=0.55500000 Z=0.31110000 -3: X=0.44500000 Y=0.68890000 Z=0.08030000 -3: X=0.55500000 Y=0.31110000 Z=0.91970000 -3: X=0.68890000 Y=0.08030000 Z=0.44500000 -3: X=0.31110000 Y=0.91970000 Z=0.55500000 O NPT= 781 R0=.000100000 RMT= 1.74 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000