P LATTICE,NONEQUIV.ATOMS 6 218 P-43n MODE OF CALC=RELA unit=bohr 20.060955 20.060955 20.060955 90.000000 90.000000 90.000000 ATOM -1: X=0.00230000 Y=0.11720000 Z=0.31040000 MULT=24 ISPLIT= 8 -1: X=0.61720000 Y=0.49770000 Z=0.18960000 -1: X=0.00230000 Y=0.88280000 Z=0.68960000 -1: X=0.31040000 Y=0.00230000 Z=0.11720000 -1: X=0.99770000 Y=0.88280000 Z=0.31040000 -1: X=0.38280000 Y=0.49770000 Z=0.81040000 -1: X=0.50230000 Y=0.18960000 Z=0.38280000 -1: X=0.38280000 Y=0.50230000 Z=0.18960000 -1: X=0.99770000 Y=0.11720000 Z=0.68960000 -1: X=0.68960000 Y=0.99770000 Z=0.11720000 -1: X=0.61720000 Y=0.50230000 Z=0.81040000 -1: X=0.49770000 Y=0.81040000 Z=0.38280000 -1: X=0.31040000 Y=0.99770000 Z=0.88280000 -1: X=0.49770000 Y=0.18960000 Z=0.61720000 -1: X=0.68960000 Y=0.00230000 Z=0.88280000 -1: X=0.50230000 Y=0.81040000 Z=0.61720000 -1: X=0.18960000 Y=0.61720000 Z=0.49770000 -1: X=0.11720000 Y=0.31040000 Z=0.00230000 -1: X=0.81040000 Y=0.38280000 Z=0.49770000 -1: X=0.88280000 Y=0.68960000 Z=0.00230000 -1: X=0.18960000 Y=0.38280000 Z=0.50230000 -1: X=0.88280000 Y=0.31040000 Z=0.99770000 -1: X=0.81040000 Y=0.61720000 Z=0.50230000 -1: X=0.11720000 Y=0.68960000 Z=0.99770000 Ge NPT= 781 R0=.000050000 RMT= 2.26 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 -2: X=0.18400000 Y=0.18400000 Z=0.18400000 MULT= 8 ISPLIT= 4 -2: X=0.68400000 Y=0.31600000 Z=0.31600000 -2: X=0.18400000 Y=0.81600000 Z=0.81600000 -2: X=0.81600000 Y=0.81600000 Z=0.18400000 -2: X=0.31600000 Y=0.31600000 Z=0.68400000 -2: X=0.31600000 Y=0.68400000 Z=0.31600000 -2: X=0.81600000 Y=0.18400000 Z=0.81600000 -2: X=0.68400000 Y=0.68400000 Z=0.68400000 Ge NPT= 781 R0=.000050000 RMT= 2.26 Z: 32.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -3: X=0.25000000 Y=0.50000000 Z=0.00000000 MULT= 6 ISPLIT=-2 -3: X=0.00000000 Y=0.25000000 Z=0.50000000 -3: X=0.75000000 Y=0.50000000 Z=0.00000000 -3: X=0.00000000 Y=0.75000000 Z=0.50000000 -3: X=0.50000000 Y=0.00000000 Z=0.25000000 -3: X=0.50000000 Y=0.00000000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.26 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -4: X=0.31460000 Y=0.31460000 Z=0.31460000 MULT= 8 ISPLIT= 4 -4: X=0.81460000 Y=0.18540000 Z=0.18540000 -4: X=0.31460000 Y=0.68540000 Z=0.68540000 -4: X=0.68540000 Y=0.68540000 Z=0.31460000 -4: X=0.18540000 Y=0.18540000 Z=0.81460000 -4: X=0.18540000 Y=0.81460000 Z=0.18540000 -4: X=0.68540000 Y=0.31460000 Z=0.68540000 -4: X=0.81460000 Y=0.81460000 Z=0.81460000 As NPT= 781 R0=.000050000 RMT= 2.26 Z: 33.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -5: X=0.25000000 Y=0.00000000 Z=0.50000000 MULT= 6 ISPLIT=-2 -5: X=0.50000000 Y=0.25000000 Z=0.00000000 -5: X=0.75000000 Y=0.00000000 Z=0.50000000 -5: X=0.50000000 Y=0.75000000 Z=0.00000000 -5: X=0.00000000 Y=0.50000000 Z=0.25000000 -5: X=0.00000000 Y=0.50000000 Z=0.75000000 I NPT= 781 R0=.000010000 RMT= 2.50000 Z: 53.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM 6: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 2 6: X=0.50000000 Y=0.50000000 Z=0.50000000 I NPT= 781 R0=.000010000 RMT= 2.50000 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000