P LATTICE,NONEQUIV.ATOMS 6 62 Pnma MODE OF CALC=RELA unit=bohr 14.431838 27.769526 14.571678 90.000000 90.000000 90.000000 ATOM -1: X=0.03083000 Y=0.10073000 Z=0.67580000 MULT= 8 ISPLIT= 8 -1: X=0.96917000 Y=0.89927000 Z=0.32420000 -1: X=0.53083000 Y=0.10073000 Z=0.82420000 -1: X=0.46917000 Y=0.89927000 Z=0.17580000 -1: X=0.46917000 Y=0.60073000 Z=0.17580000 -1: X=0.53083000 Y=0.39927000 Z=0.82420000 -1: X=0.96917000 Y=0.60073000 Z=0.32420000 -1: X=0.03083000 Y=0.39927000 Z=0.67580000 Y NPT= 781 R0=.000010000 RMT= 2.50000 Z: 39.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.37956000 Y=0.11711000 Z=0.33958000 MULT= 8 ISPLIT= 8 -2: X=0.62044000 Y=0.88289000 Z=0.66042000 -2: X=0.87956000 Y=0.11711000 Z=0.16042000 -2: X=0.12044000 Y=0.88289000 Z=0.83958000 -2: X=0.12044000 Y=0.61711000 Z=0.83958000 -2: X=0.87956000 Y=0.38289000 Z=0.16042000 -2: X=0.62044000 Y=0.61711000 Z=0.66042000 -2: X=0.37956000 Y=0.38289000 Z=0.33958000 Y NPT= 781 R0=.000010000 RMT= 2.50000 Z: 39.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.21454000 Y=0.25000000 Z=0.00116000 MULT= 4 ISPLIT= 8 -3: X=0.78546000 Y=0.75000000 Z=0.99884000 -3: X=0.71454000 Y=0.25000000 Z=0.49884000 -3: X=0.28546000 Y=0.75000000 Z=0.50116000 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 -4: X=0.22034000 Y=0.04440000 Z=0.03144000 MULT= 8 ISPLIT= 8 -4: X=0.77966000 Y=0.95560000 Z=0.96856000 -4: X=0.72034000 Y=0.04440000 Z=0.46856000 -4: X=0.27966000 Y=0.95560000 Z=0.53144000 -4: X=0.27966000 Y=0.54440000 Z=0.53144000 -4: X=0.72034000 Y=0.45560000 Z=0.46856000 -4: X=0.77966000 Y=0.54440000 Z=0.96856000 -4: X=0.22034000 Y=0.45560000 Z=0.03144000 Ge NPT= 781 R0=.000050000 RMT= 2.50000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.08395000 Y=0.25000000 Z=0.38370000 MULT= 4 ISPLIT= 8 -5: X=0.91605000 Y=0.75000000 Z=0.61630000 -5: X=0.58395000 Y=0.25000000 Z=0.11630000 -5: X=0.41605000 Y=0.75000000 Z=0.88370000 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 ATOM -6: X=0.33528000 Y=0.25000000 Z=0.63651000 MULT= 4 ISPLIT= 8 -6: X=0.66472000 Y=0.75000000 Z=0.36349000 -6: X=0.83528000 Y=0.25000000 Z=0.86349000 -6: X=0.16472000 Y=0.75000000 Z=0.13651000 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