R LATTICE,NONEQUIV.ATOMS 14 146 R3 MODE OF CALC=RELA unit=bohr 25.780967 25.780967 17.189890 90.000000 90.000000120.000000 ATOM -1: X=0.46560000 Y=0.05409000 Z=0.23010000 MULT= 3 ISPLIT= 8 -1: X=0.05409000 Y=0.23010000 Z=0.46560000 -1: X=0.23010000 Y=0.46560000 Z=0.05409000 Ga NPT= 781 R0=.000050000 RMT= 1.79 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.54090000 Y=0.94550000 Z=0.76350000 MULT= 3 ISPLIT= 8 -2: X=0.94550000 Y=0.76350000 Z=0.54090000 -2: X=0.76350000 Y=0.54090000 Z=0.94550000 Ga NPT= 781 R0=.000050000 RMT= 1.79 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.39810000 Y=0.57039000 Z=0.79690000 MULT= 3 ISPLIT= 8 -3: X=0.57039000 Y=0.79690000 Z=0.39810000 -3: X=0.79690000 Y=0.39810000 Z=0.57039000 Li NPT= 781 R0=.000100000 RMT= 1.60 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 -4: X=0.61210000 Y=0.43249000 Z=0.20350000 MULT= 3 ISPLIT= 8 -4: X=0.43249000 Y=0.20350000 Z=0.61210000 -4: X=0.20350000 Y=0.61210000 Z=0.43249000 Si NPT= 781 R0=.000100000 RMT= 1.42 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.71810000 Y=0.90319000 Z=0.12610000 MULT= 3 ISPLIT= 8 -5: X=0.90319000 Y=0.12610000 Z=0.71810000 -5: X=0.12610000 Y=0.71810000 Z=0.90319000 Si NPT= 781 R0=.000100000 RMT= 1.42 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.28130000 Y=0.11160000 Z=0.88280000 MULT= 3 ISPLIT= 8 -6: X=0.11160000 Y=0.88280000 Z=0.28130000 -6: X=0.88280000 Y=0.28130000 Z=0.11160000 Li NPT= 781 R0=.000100000 RMT= 1.60 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=0.39640000 Y=0.36679000 Z=0.06100000 MULT= 3 ISPLIT= 8 -7: X=0.36679000 Y=0.06100000 Z=0.39640000 -7: X=0.06100000 Y=0.39640000 Z=0.36679000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.64770000 Y=0.68960000 Z=0.97800000 MULT= 3 ISPLIT= 8 -8: X=0.68960000 Y=0.97800000 Z=0.64770000 -8: X=0.97800000 Y=0.64770000 Z=0.68960000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.59260000 Y=0.91349000 Z=0.23980000 MULT= 3 ISPLIT= 8 -9: X=0.91349000 Y=0.23980000 Z=0.59260000 -9: X=0.23980000 Y=0.59260000 Z=0.91349000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.41980000 Y=0.08680000 Z=0.73550000 MULT= 3 ISPLIT= 8 -10: X=0.08680000 Y=0.73550000 Z=0.41980000 -10: X=0.73550000 Y=0.41980000 Z=0.08680000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -11: X=0.68540000 Y=0.02169000 Z=0.00760000 MULT= 3 ISPLIT= 8 -11: X=0.02169000 Y=0.00760000 Z=0.68540000 -11: X=0.00760000 Y=0.68540000 Z=0.02169000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -12: X=0.27110000 Y=0.93860000 Z=0.99550000 MULT= 3 ISPLIT= 8 -12: X=0.93860000 Y=0.99550000 Z=0.27110000 -12: X=0.99550000 Y=0.27110000 Z=0.93860000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -13: X=0.70170000 Y=0.64221000 Z=0.36750000 MULT= 3 ISPLIT= 8 -13: X=0.64221000 Y=0.36750000 Z=0.70170000 -13: X=0.36750000 Y=0.70170000 Z=0.64221000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -14: X=0.62060000 Y=0.29289000 Z=0.29980000 MULT= 3 ISPLIT= 8 -14: X=0.29289000 Y=0.29980000 Z=0.62060000 -14: X=0.29980000 Y=0.62060000 Z=0.29289000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000