P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 15.321899 9.342806 17.328789 90.000000 90.000000 90.000000 ATOM -1: X=0.14880000 Y=0.25000000 Z=0.07370000 MULT= 4 ISPLIT= 8 -1: X=0.85120000 Y=0.75000000 Z=0.92630000 -1: X=0.64880000 Y=0.25000000 Z=0.42630000 -1: X=0.35120000 Y=0.75000000 Z=0.57370000 Ca NPT= 781 R0=.000050000 RMT= 2.50000 Z: 20.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.02130000 Y=0.25000000 Z=0.67850000 MULT= 4 ISPLIT= 8 -2: X=0.97870000 Y=0.75000000 Z=0.32150000 -2: X=0.52130000 Y=0.25000000 Z=0.82150000 -2: X=0.47870000 Y=0.75000000 Z=0.17850000 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 -3: X=0.26560000 Y=0.25000000 Z=0.39370000 MULT= 4 ISPLIT= 8 -3: X=0.73440000 Y=0.75000000 Z=0.60630000 -3: X=0.76560000 Y=0.25000000 Z=0.10630000 -3: X=0.23440000 Y=0.75000000 Z=0.89370000 Si NPT= 781 R0=.000100000 RMT= 2.50000 Z: 14.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000