P LATTICE,NONEQUIV.ATOMS 2 62 Pnma MODE OF CALC=RELA unit=bohr 16.824232 7.643942 11.585911 90.000000 90.000000 90.000000 ATOM -1: X=0.18080000 Y=0.25000000 Z=0.60870000 MULT= 4 ISPLIT= 8 -1: X=0.81920000 Y=0.75000000 Z=0.39130000 -1: X=0.68080000 Y=0.25000000 Z=0.89130000 -1: X=0.31920000 Y=0.75000000 Z=0.10870000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.03220000 Y=0.25000000 Z=0.10780000 MULT= 4 ISPLIT= 8 -2: X=0.96780000 Y=0.75000000 Z=0.89220000 -2: X=0.53220000 Y=0.25000000 Z=0.39220000 -2: X=0.46780000 Y=0.75000000 Z=0.60780000 Si NPT= 781 R0=.000100000 RMT= 2.33 Z: 14.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000