H LATTICE,NONEQUIV.ATOMS 5 186 P63mc MODE OF CALC=RELA unit=bohr 18.147040 18.147040 14.229638 90.000000 90.000000120.000000 ATOM -1: X=0.13520000 Y=0.86480000 Z=0.33000000 MULT= 6 ISPLIT= 8 -1: X=0.27040000 Y=0.13520000 Z=0.83000000 -1: X=0.86480000 Y=0.13520000 Z=0.83000000 -1: X=0.13520000 Y=0.27040000 Z=0.33000000 -1: X=0.72960000 Y=0.86480000 Z=0.33000000 -1: X=0.86480000 Y=0.72960000 Z=0.83000000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 0.0000000 0.5000000 0.8660254 0.0000000-0.8660254 0.5000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.47813000 Y=0.52187000 Z=0.00000000 MULT= 6 ISPLIT= 8 -2: X=0.95626000 Y=0.47813000 Z=0.50000000 -2: X=0.52187000 Y=0.47813000 Z=0.50000000 -2: X=0.47813000 Y=0.95626000 Z=0.00000000 -2: X=0.04374000 Y=0.52187000 Z=0.00000000 -2: X=0.52187000 Y=0.04374000 Z=0.50000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 0.5000000 0.8660254 0.0000000-0.8660254 0.5000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.33333333 Y=0.66666667 Z=0.62690000 MULT= 2 ISPLIT= 4 -3: X=0.66666666 Y=0.33333333 Z=0.12690000 Ga NPT= 781 R0=.000050000 RMT= 2.35 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=0.81081000 Y=0.18919000 Z=0.22240000 MULT= 6 ISPLIT= 8 -4: X=0.62162000 Y=0.81081000 Z=0.72240000 -4: X=0.18919000 Y=0.81081000 Z=0.72240000 -4: X=0.81081000 Y=0.62162000 Z=0.22240000 -4: X=0.37838000 Y=0.18919000 Z=0.22240000 -4: X=0.18919000 Y=0.37838000 Z=0.72240000 As NPT= 781 R0=.000050000 RMT= 2.35 Z: 33.00000 LOCAL ROT MATRIX: 0.0000000 0.5000000 0.8660254 0.0000000-0.8660254 0.5000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.33333333 Y=0.66666667 Z=0.28480000 MULT= 2 ISPLIT= 4 -5: X=0.66666666 Y=0.33333333 Z=0.78480000 As NPT= 781 R0=.000050000 RMT= 2.35 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000