CXY LATTICE,NONEQUIV.ATOMS 2 63 Cmcm MODE OF CALC=RELA unit=bohr 8.069131 20.031097 7.180959 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.35700000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.64300000 Z=0.75000000 Y NPT= 781 R0=.000010000 RMT= 2.50000 Z: 39.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.07600000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.92400000 Z=0.75000000 Si NPT= 781 R0=.000100000 RMT= 2.34 Z: 14.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000