P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 15.352135 9.352255 17.355245 90.000000 90.000000 90.000000 ATOM -1: X=0.14840000 Y=0.25000000 Z=0.07310000 MULT= 4 ISPLIT= 8 -1: X=0.85160000 Y=0.75000000 Z=0.92690000 -1: X=0.64840000 Y=0.25000000 Z=0.42690000 -1: X=0.35160000 Y=0.75000000 Z=0.57310000 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=0.02140000 Y=0.25000000 Z=0.67850000 MULT= 4 ISPLIT= 8 -2: X=0.97860000 Y=0.75000000 Z=0.32150000 -2: X=0.52140000 Y=0.25000000 Z=0.82150000 -2: X=0.47860000 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=0.26550000 Y=0.25000000 Z=0.39330000 MULT= 4 ISPLIT= 8 -3: X=0.73450000 Y=0.75000000 Z=0.60670000 -3: X=0.76550000 Y=0.25000000 Z=0.10670000 -3: X=0.23450000 Y=0.75000000 Z=0.89330000 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