P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 11.986533 6.521445 16.217630 90.000000 90.000000 90.000000 ATOM -1: X=0.25020000 Y=0.25000000 Z=0.32840000 MULT= 4 ISPLIT= 8 -1: X=0.74980000 Y=0.75000000 Z=0.67160000 -1: X=0.75020000 Y=0.25000000 Z=0.17160000 -1: X=0.24980000 Y=0.75000000 Z=0.82840000 Mo NPT= 781 R0=.000010000 RMT= 2.42 Z: 42.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.13500000 Y=0.25000000 Z=0.04070000 MULT= 4 ISPLIT= 8 -2: X=0.86500000 Y=0.75000000 Z=0.95930000 -2: X=0.63500000 Y=0.25000000 Z=0.45930000 -2: X=0.36500000 Y=0.75000000 Z=0.54070000 Ge NPT= 781 R0=.000050000 RMT= 2.38 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.06310000 Y=0.25000000 Z=0.63190000 MULT= 4 ISPLIT= 8 -3: X=0.93690000 Y=0.75000000 Z=0.36810000 -3: X=0.56310000 Y=0.25000000 Z=0.86810000 -3: X=0.43690000 Y=0.75000000 Z=0.13190000 Ge NPT= 781 R0=.000050000 RMT= 2.38 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000