P LATTICE,NONEQUIV.ATOMS 6 62 Pnma MODE OF CALC=RELA unit=bohr 12.763210 24.938716 12.904940 90.000000 90.000000 90.000000 ATOM -1: X=0.17190000 Y=0.25000000 Z=0.00740000 MULT= 4 ISPLIT= 8 -1: X=0.82810000 Y=0.75000000 Z=0.99260000 -1: X=0.67190000 Y=0.25000000 Z=0.49260000 -1: X=0.32810000 Y=0.75000000 Z=0.50740000 Nb NPT= 781 R0=.000010000 RMT= 2.40 Z: 41.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.34630000 Y=0.12430000 Z=0.33560000 MULT= 8 ISPLIT= 8 -2: X=0.65370000 Y=0.87570000 Z=0.66440000 -2: X=0.84630000 Y=0.12430000 Z=0.16440000 -2: X=0.15370000 Y=0.87570000 Z=0.83560000 -2: X=0.15370000 Y=0.62430000 Z=0.83560000 -2: X=0.84630000 Y=0.37570000 Z=0.16440000 -2: X=0.65370000 Y=0.62430000 Z=0.66440000 -2: X=0.34630000 Y=0.37570000 Z=0.33560000 Nb NPT= 781 R0=.000010000 RMT= 2.40 Z: 41.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.01920000 Y=0.08620000 Z=0.67420000 MULT= 8 ISPLIT= 8 -3: X=0.98080000 Y=0.91380000 Z=0.32580000 -3: X=0.51920000 Y=0.08620000 Z=0.82580000 -3: X=0.48080000 Y=0.91380000 Z=0.17420000 -3: X=0.48080000 Y=0.58620000 Z=0.17420000 -3: X=0.51920000 Y=0.41380000 Z=0.82580000 -3: X=0.98080000 Y=0.58620000 Z=0.32580000 -3: X=0.01920000 Y=0.41380000 Z=0.67420000 Nb NPT= 781 R0=.000010000 RMT= 2.40 Z: 41.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.04620000 Y=0.25000000 Z=0.39580000 MULT= 4 ISPLIT= 8 -4: X=0.95380000 Y=0.75000000 Z=0.60420000 -4: X=0.54620000 Y=0.25000000 Z=0.10420000 -4: X=0.45380000 Y=0.75000000 Z=0.89580000 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=0.31980000 Y=0.25000000 Z=0.66070000 MULT= 4 ISPLIT= 8 -5: X=0.68020000 Y=0.75000000 Z=0.33930000 -5: X=0.81980000 Y=0.25000000 Z=0.83930000 -5: X=0.18020000 Y=0.75000000 Z=0.16070000 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=0.18910000 Y=0.04120000 Z=0.03460000 MULT= 8 ISPLIT= 8 -6: X=0.81090000 Y=0.95880000 Z=0.96540000 -6: X=0.68910000 Y=0.04120000 Z=0.46540000 -6: X=0.31090000 Y=0.95880000 Z=0.53460000 -6: X=0.31090000 Y=0.54120000 Z=0.53460000 -6: X=0.68910000 Y=0.45880000 Z=0.46540000 -6: X=0.81090000 Y=0.54120000 Z=0.96540000 -6: X=0.18910000 Y=0.45880000 Z=0.03460000 Ge NPT= 781 R0=.000050000 RMT= 2.40 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000