P LATTICE,NONEQUIV.ATOMS 6 62 Pnma MODE OF CALC=RELA unit=bohr 12.821792 7.916063 33.402799 90.000000 90.000000 90.000000 ATOM -1: X=0.16650000 Y=0.25000000 Z=0.41510000 MULT= 4 ISPLIT= 8 -1: X=0.83350000 Y=0.75000000 Z=0.58490000 -1: X=0.66650000 Y=0.25000000 Z=0.08490000 -1: X=0.33350000 Y=0.75000000 Z=0.91510000 Y NPT= 781 R0=.000010000 RMT= 2.50000 Z: 39.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.16840000 Y=0.25000000 Z=0.20240000 MULT= 4 ISPLIT= 8 -2: X=0.83160000 Y=0.75000000 Z=0.79760000 -2: X=0.66840000 Y=0.25000000 Z=0.29760000 -2: X=0.33160000 Y=0.75000000 Z=0.70240000 Y NPT= 781 R0=.000010000 RMT= 2.50000 Z: 39.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.14510000 Y=0.25000000 Z=0.81200000 MULT= 4 ISPLIT= 8 -3: X=0.85490000 Y=0.75000000 Z=0.18800000 -3: X=0.64510000 Y=0.25000000 Z=0.68800000 -3: X=0.35490000 Y=0.75000000 Z=0.31200000 Ge NPT= 781 R0=.000050000 RMT= 2.40 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 -4: X=0.24780000 Y=0.25000000 Z=0.03410000 MULT= 4 ISPLIT= 8 -4: X=0.75220000 Y=0.75000000 Z=0.96590000 -4: X=0.74780000 Y=0.25000000 Z=0.46590000 -4: X=0.25220000 Y=0.75000000 Z=0.53410000 Ge NPT= 781 R0=.000050000 RMT= 2.40 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 -5: X=0.03380000 Y=0.25000000 Z=0.67400000 MULT= 4 ISPLIT= 8 -5: X=0.96620000 Y=0.75000000 Z=0.32600000 -5: X=0.53380000 Y=0.25000000 Z=0.82600000 -5: X=0.46620000 Y=0.75000000 Z=0.17400000 Ge NPT= 781 R0=.000050000 RMT= 2.40 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 -6: X=0.44920000 Y=0.25000000 Z=0.56460000 MULT= 4 ISPLIT= 8 -6: X=0.55080000 Y=0.75000000 Z=0.43540000 -6: X=0.94920000 Y=0.25000000 Z=0.93540000 -6: X=0.05080000 Y=0.75000000 Z=0.06460000 Al NPT= 781 R0=.000100000 RMT= 2.27 Z: 13.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000