H LATTICE,NONEQUIV.ATOMS 3 176 P63/m MODE OF CALC=RELA unit=bohr 15.189619 15.189619 5.809018 90.000000 90.000000120.000000 ATOM -1: X=0.23400000 Y=0.40500000 Z=0.25000000 MULT= 6 ISPLIT= 8 -1: X=0.76600000 Y=0.59500000 Z=0.75000000 -1: X=0.82900000 Y=0.23400000 Z=0.75000000 -1: X=0.17100000 Y=0.76600000 Z=0.25000000 -1: X=0.59500000 Y=0.82900000 Z=0.25000000 -1: X=0.40500000 Y=0.17100000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 1.84 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=0.33333333 Y=0.66666667 Z=0.25000000 MULT= 2 ISPLIT= 4 -2: X=0.66666667 Y=0.33333333 Z=0.75000000 N NPT= 781 R0=.000100000 RMT= 1.58 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.33400000 Y=0.03000000 Z=0.25000000 MULT= 6 ISPLIT= 8 -3: X=0.66600000 Y=0.97000000 Z=0.75000000 -3: X=0.30400000 Y=0.33400000 Z=0.75000000 -3: X=0.69600000 Y=0.66600000 Z=0.25000000 -3: X=0.97000000 Y=0.30400000 Z=0.25000000 -3: X=0.03000000 Y=0.69600000 Z=0.75000000 N NPT= 781 R0=.000100000 RMT= 1.58 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000