P LATTICE,NONEQUIV.ATOMS 2 62 Pnma MODE OF CALC=RELA unit=bohr 10.600797 6.396723 11.611611 90.000000 90.000000 90.000000 ATOM -1: X=0.00380000 Y=0.25000000 Z=0.18990000 MULT= 4 ISPLIT= 8 -1: X=0.99620000 Y=0.75000000 Z=0.81010000 -1: X=0.50380000 Y=0.25000000 Z=0.31010000 -1: X=0.49620000 Y=0.75000000 Z=0.68990000 Pd NPT= 781 R0=.000010000 RMT= 2.50000 Z: 46.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.17410000 Y=0.25000000 Z=0.57280000 MULT= 4 ISPLIT= 8 -2: X=0.82590000 Y=0.75000000 Z=0.42720000 -2: X=0.67410000 Y=0.25000000 Z=0.92720000 -2: X=0.32590000 Y=0.75000000 Z=0.07280000 Si NPT= 781 R0=.000100000 RMT= 1.95 Z: 14.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000