P LATTICE,NONEQUIV.ATOMS 8 11 P21/m MODE OF CALC=RELA unit=bohr 16.000311 13.477527 21.489966 90.000000 90.000000 91.770000 ATOM -1: X=0.25660000 Y=0.13260000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.74340000 Y=0.86740000 Z=0.75000000 Ga NPT= 781 R0=.000050000 RMT= 2.28 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=0.52840000 Y=0.03360000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.47160000 Y=0.96640000 Z=0.75000000 Ga NPT= 781 R0=.000050000 RMT= 2.28 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=0.04790000 Y=0.85800000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.95210000 Y=0.14200000 Z=0.75000000 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 ATOM -4: X=0.56630000 Y=0.67360000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.43370000 Y=0.32640000 Z=0.75000000 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 ATOM -5: X=0.17925000 Y=0.33910000 Z=0.07090000 MULT= 4 ISPLIT= 8 -5: X=0.82075000 Y=0.66090000 Z=0.92910000 -5: X=0.82075000 Y=0.66090000 Z=0.57090000 -5: X=0.17925000 Y=0.33910000 Z=0.42910000 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 ATOM -6: X=0.68322000 Y=0.17490000 Z=0.06975000 MULT= 4 ISPLIT= 8 -6: X=0.31678000 Y=0.82510000 Z=0.93025000 -6: X=0.31678000 Y=0.82510000 Z=0.56975000 -6: X=0.68322000 Y=0.17490000 Z=0.43025000 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 ATOM -7: X=0.50000000 Y=0.50000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -7: X=0.50000000 Y=0.50000000 Z=0.50000000 Li NPT= 781 R0=.000100000 RMT= 2.27 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=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -8: X=0.00000000 Y=0.00000000 Z=0.50000000 Li NPT= 781 R0=.000100000 RMT= 2.27 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000