H LATTICE,NONEQUIV.ATOMS 8 186 P63mc MODE OF CALC=RELA unit=bohr 7.095922 7.095922 60.452339 90.000000 90.000000120.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.46200000 MULT= 2 ISPLIT= 4 -1: X=0.00000000 Y=0.00000000 Z=0.96200000 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=0.00000000 Y=0.00000000 Z=0.03940000 MULT= 2 ISPLIT= 4 -2: X=0.00000000 Y=0.00000000 Z=0.53940000 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=0.33333333 Y=0.66666667 Z=0.21190000 MULT= 2 ISPLIT= 4 -3: X=0.66666666 Y=0.33333333 Z=0.71190000 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 -4: X=0.33333333 Y=0.66666667 Z=0.28800000 MULT= 2 ISPLIT= 4 -4: X=0.66666666 Y=0.33333333 Z=0.78800000 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 -5: X=0.33333333 Y=0.66666667 Z=0.42550000 MULT= 2 ISPLIT= 4 -5: X=0.66666666 Y=0.33333333 Z=0.92550000 Se NPT= 781 R0=.000050000 RMT= 2.28 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.33333333 Y=0.66666667 Z=0.57520000 MULT= 2 ISPLIT= 4 -6: X=0.66666666 Y=0.33333333 Z=0.07520000 Se NPT= 781 R0=.000050000 RMT= 2.28 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.00000000 Y=0.00000000 Z=0.17810000 MULT= 2 ISPLIT= 4 -7: X=0.00000000 Y=0.00000000 Z=0.67810000 Se NPT= 781 R0=.000050000 RMT= 2.28 Z: 34.00000 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=0.32740000 MULT= 2 ISPLIT= 4 -8: X=0.00000000 Y=0.00000000 Z=0.82740000 Se NPT= 781 R0=.000050000 RMT= 2.28 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000