P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 15.406937 9.762325 18.128143 90.000000 90.000000 90.000000 ATOM -1: X=0.15200000 Y=0.25000000 Z=0.07700000 MULT= 4 ISPLIT= 8 -1: X=0.84800000 Y=0.75000000 Z=0.92300000 -1: X=0.65200000 Y=0.25000000 Z=0.42300000 -1: X=0.34800000 Y=0.75000000 Z=0.57700000 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=0.01800000 Y=0.25000000 Z=0.67600000 MULT= 4 ISPLIT= 8 -2: X=0.98200000 Y=0.75000000 Z=0.32400000 -2: X=0.51800000 Y=0.25000000 Z=0.82400000 -2: X=0.48200000 Y=0.75000000 Z=0.17600000 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=0.25500000 Y=0.25000000 Z=0.39800000 MULT= 4 ISPLIT= 8 -3: X=0.74500000 Y=0.75000000 Z=0.60200000 -3: X=0.75500000 Y=0.25000000 Z=0.10200000 -3: X=0.24500000 Y=0.75000000 Z=0.89800000 Ge NPT= 781 R0=.000050000 RMT= 2.50000 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000