P LATTICE,NONEQUIV.ATOMS 2 198 P213 MODE OF CALC=RELA unit=bohr 9.019663 9.019663 9.019663 90.000000 90.000000 90.000000 ATOM -1: X=0.39000000 Y=0.39000000 Z=0.39000000 MULT= 4 ISPLIT=15 -1: X=0.11000000 Y=0.61000000 Z=0.89000000 -1: X=0.89000000 Y=0.11000000 Z=0.61000000 -1: X=0.61000000 Y=0.89000000 Z=0.11000000 Re NPT= 781 R0=.000005000 RMT= 2.00000 Z: 75.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.09000000 Y=0.09000000 Z=0.09000000 MULT= 4 ISPLIT=15 -2: X=0.41000000 Y=0.91000000 Z=0.59000000 -2: X=0.59000000 Y=0.41000000 Z=0.91000000 -2: X=0.91000000 Y=0.59000000 Z=0.41000000 Si NPT= 781 R0=.000100000 RMT= 2.00000 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000