P LATTICE,NONEQUIV.ATOMS 2 62 Pnma MODE OF CALC=RELA unit=bohr 14.333573 7.375601 10.701519 90.000000 90.000000 90.000000 ATOM -1: X=0.17900000 Y=0.25000000 Z=0.62800000 MULT= 4 ISPLIT=15 -1: X=0.82100000 Y=0.75000000 Z=0.37200000 -1: X=0.67900000 Y=0.25000000 Z=0.87200000 -1: X=0.32100000 Y=0.75000000 Z=0.12800000 U NPT= 781 R0=.000005000 RMT= 2.00000 Z: 92.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.03200000 Y=0.25000000 Z=0.11100000 MULT= 4 ISPLIT=15 -2: X=0.96800000 Y=0.75000000 Z=0.88900000 -2: X=0.53200000 Y=0.25000000 Z=0.38900000 -2: X=0.46800000 Y=0.75000000 Z=0.61100000 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