H LATTICE,NONEQUIV.ATOMS 2 186 P63mc MODE OF CALC=RELA unit=bohr 4.667624 4.667624 12.831240 90.000000 90.000000120.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 4 -1: X=0.00000000 Y=0.00000000 Z=0.50000000 C NPT= 781 R0=.000100000 RMT= 1.34 Z: 6.00000 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=0.00500000 MULT= 2 ISPLIT= 4 -2: X=0.66666666 Y=0.33333333 Z=0.50500000 C NPT= 781 R0=.000100000 RMT= 1.34 Z: 6.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000