H LATTICE,NONEQUIV.ATOMS 2 194 P63/mmc MODE OF CALC=RELA unit=bohr 13.596580 13.596580 10.399163 90.000000 90.000000120.000000 ATOM -1: X=0.16700000 Y=0.33400000 Z=0.25000000 MULT= 6 ISPLIT=15 -1: X=0.83300000 Y=0.66600000 Z=0.75000000 -1: X=0.83300000 Y=0.16700000 Z=0.75000000 -1: X=0.16700000 Y=0.83300000 Z=0.25000000 -1: X=0.33400000 Y=0.16700000 Z=0.75000000 -1: X=0.66600000 Y=0.83300000 Z=0.25000000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 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=0.75000000 MULT= 2 ISPLIT=15 -2: X=0.66666667 Y=0.33333333 Z=0.25000000 Al NPT= 781 R0=.000100000 RMT= 2.00000 Z: 13.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000