R LATTICE,NONEQUIV.ATOMS 8 166 R-3m MODE OF CALC=RELA unit=bohr 8.393597 8.393597 80.710957 90.000000 90.000000120.000000 ATOM -1: X=0.21685000 Y=0.21685000 Z=0.21685000 MULT= 2 ISPLIT= 4 -1: X=0.78315000 Y=0.78315000 Z=0.78315000 Ge NPT= 781 R0=.000050000 RMT= 2.37 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=0.02957000 Y=0.02957000 Z=0.02957000 MULT= 2 ISPLIT= 4 -2: X=0.97043000 Y=0.97043000 Z=0.97043000 Ge NPT= 781 R0=.000050000 RMT= 2.37 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 -3: X=0.46529000 Y=0.46529000 Z=0.46529000 MULT= 2 ISPLIT= 4 -3: X=0.53471000 Y=0.53471000 Z=0.53471000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.28039000 Y=0.28039000 Z=0.28039000 MULT= 2 ISPLIT= 4 -4: X=0.71961000 Y=0.71961000 Z=0.71961000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.09294000 Y=0.09294000 Z=0.09294000 MULT= 2 ISPLIT= 4 -5: X=0.90706000 Y=0.90706000 Z=0.90706000 Li NPT= 781 R0=.000100000 RMT= 2.02 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.40383000 Y=0.40383000 Z=0.40383000 MULT= 2 ISPLIT= 4 -6: X=0.59617000 Y=0.59617000 Z=0.59617000 Li NPT= 781 R0=.000100000 RMT= 2.02 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.34143000 Y=0.34143000 Z=0.34143000 MULT= 2 ISPLIT= 4 -7: X=0.65857000 Y=0.65857000 Z=0.65857000 Li NPT= 781 R0=.000100000 RMT= 2.02 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.15493000 Y=0.15493000 Z=0.15493000 MULT= 2 ISPLIT= 4 -8: X=0.84507000 Y=0.84507000 Z=0.84507000 Li NPT= 781 R0=.000100000 RMT= 2.02 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000