CXY LATTICE,NONEQUIV.ATOMS 14 63 Cmcm MODE OF CALC=RELA unit=bohr 12.171726 30.505849 53.675781 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.27240000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.72760000 Z=0.75000000 Ga NPT= 781 R0=.000050000 RMT= 2.14 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.42620000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.57380000 Z=0.75000000 Ga NPT= 781 R0=.000050000 RMT= 2.14 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.00000000 Y=0.07320000 Z=0.17120000 MULT= 4 ISPLIT= 8 -3: X=0.00000000 Y=0.92680000 Z=0.82880000 -3: X=0.00000000 Y=0.07320000 Z=0.32880000 -3: X=0.00000000 Y=0.92680000 Z=0.67120000 Ga NPT= 781 R0=.000050000 RMT= 2.14 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.24100000 Z=0.15610000 MULT= 4 ISPLIT= 8 -4: X=0.00000000 Y=0.75900000 Z=0.84390000 -4: X=0.00000000 Y=0.24100000 Z=0.34390000 -4: X=0.00000000 Y=0.75900000 Z=0.65610000 Ga NPT= 781 R0=.000050000 RMT= 2.14 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -5: X=0.00000000 Y=0.17510000 Z=0.03280000 MULT= 4 ISPLIT= 8 -5: X=0.00000000 Y=0.82490000 Z=0.96720000 -5: X=0.00000000 Y=0.17510000 Z=0.46720000 -5: X=0.00000000 Y=0.82490000 Z=0.53280000 Ga NPT= 781 R0=.000050000 RMT= 2.14 Z: 31.00000 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=0.01580000 Z=0.08950000 MULT= 4 ISPLIT= 8 -6: X=0.00000000 Y=0.98420000 Z=0.91050000 -6: X=0.00000000 Y=0.01580000 Z=0.41050000 -6: X=0.00000000 Y=0.98420000 Z=0.58950000 Ga NPT= 781 R0=.000050000 RMT= 2.14 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -7: X=0.00000000 Y=0.29820000 Z=0.07200000 MULT= 4 ISPLIT= 8 -7: X=0.00000000 Y=0.70180000 Z=0.92800000 -7: X=0.00000000 Y=0.29820000 Z=0.42800000 -7: X=0.00000000 Y=0.70180000 Z=0.57200000 Ga NPT= 781 R0=.000050000 RMT= 2.14 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -8: X=0.20990000 Y=0.03170000 Z=0.25000000 MULT= 4 ISPLIT= 8 -8: X=0.79010000 Y=0.96830000 Z=0.75000000 -8: X=0.79010000 Y=0.03170000 Z=0.25000000 -8: X=0.20990000 Y=0.96830000 Z=0.75000000 Ga NPT= 781 R0=.000050000 RMT= 2.14 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 -9: X=0.30040000 Y=0.17130000 Z=0.20320000 MULT= 8 ISPLIT= 8 -9: X=0.69960000 Y=0.82870000 Z=0.79680000 -9: X=0.30040000 Y=0.17130000 Z=0.29680000 -9: X=0.69960000 Y=0.82870000 Z=0.70320000 -9: X=0.69960000 Y=0.17130000 Z=0.20320000 -9: X=0.30040000 Y=0.82870000 Z=0.79680000 -9: X=0.69960000 Y=0.17130000 Z=0.29680000 -9: X=0.30040000 Y=0.82870000 Z=0.70320000 Ga NPT= 781 R0=.000050000 RMT= 2.14 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 -10: X=0.30690000 Y=0.04920000 Z=0.03570000 MULT= 8 ISPLIT= 8 -10: X=0.69310000 Y=0.95080000 Z=0.96430000 -10: X=0.30690000 Y=0.04920000 Z=0.46430000 -10: X=0.69310000 Y=0.95080000 Z=0.53570000 -10: X=0.69310000 Y=0.04920000 Z=0.03570000 -10: X=0.30690000 Y=0.95080000 Z=0.96430000 -10: X=0.69310000 Y=0.04920000 Z=0.46430000 -10: X=0.30690000 Y=0.95080000 Z=0.53570000 Ga NPT= 781 R0=.000050000 RMT= 2.14 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 -11: X=0.29500000 Y=0.38950000 Z=0.04660000 MULT= 8 ISPLIT= 8 -11: X=0.70500000 Y=0.61050000 Z=0.95340000 -11: X=0.29500000 Y=0.38950000 Z=0.45340000 -11: X=0.70500000 Y=0.61050000 Z=0.54660000 -11: X=0.70500000 Y=0.38950000 Z=0.04660000 -11: X=0.29500000 Y=0.61050000 Z=0.95340000 -11: X=0.70500000 Y=0.38950000 Z=0.45340000 -11: X=0.29500000 Y=0.61050000 Z=0.54660000 Ga NPT= 781 R0=.000050000 RMT= 2.14 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 -12: X=0.00000000 Y=0.13760000 Z=0.67980000 MULT= 4 ISPLIT= 8 -12: X=0.00000000 Y=0.86240000 Z=0.32020000 -12: X=0.00000000 Y=0.13760000 Z=0.82020000 -12: X=0.00000000 Y=0.86240000 Z=0.17980000 K NPT= 781 R0=.000050000 RMT= 2.50000 Z: 19.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -13: X=0.00000000 Y=0.48370000 Z=0.13890000 MULT= 4 ISPLIT= 8 -13: X=0.00000000 Y=0.51630000 Z=0.86110000 -13: X=0.00000000 Y=0.48370000 Z=0.36110000 -13: X=0.00000000 Y=0.51630000 Z=0.63890000 K NPT= 781 R0=.000050000 RMT= 2.50000 Z: 19.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -14: X=0.00000000 Y=0.28710000 Z=0.58620000 MULT= 4 ISPLIT= 8 -14: X=0.00000000 Y=0.71290000 Z=0.41380000 -14: X=0.00000000 Y=0.28710000 Z=0.91380000 -14: X=0.00000000 Y=0.71290000 Z=0.08620000 K NPT= 781 R0=.000050000 RMT= 2.50000 Z: 19.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000