H LATTICE,NONEQUIV.ATOMS 4 189 P-62m MODE OF CALC=RELA unit=bohr 13.776104 13.776104 10.072240 90.000000 90.000000120.000000 ATOM -1: X=0.74000000 Y=0.00000000 Z=0.00000000 MULT= 3 ISPLIT= 8 -1: X=0.26000000 Y=0.26000000 Z=0.00000000 -1: X=0.00000000 Y=0.74000000 Z=0.00000000 Ge NPT= 781 R0=.000050000 RMT= 1.78 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 0.5000000 0.8660254 0.0000000 0.8660254-0.5000000 -1.0000000 0.0000000 0.0000000 ATOM -2: X=0.62500000 Y=0.00000000 Z=0.30000000 MULT= 6 ISPLIT= 8 -2: X=0.37500000 Y=0.37500000 Z=0.70000000 -2: X=0.00000000 Y=0.62500000 Z=0.30000000 -2: X=0.62500000 Y=0.00000000 Z=0.70000000 -2: X=0.37500000 Y=0.37500000 Z=0.30000000 -2: X=0.00000000 Y=0.62500000 Z=0.70000000 O NPT= 781 R0=.000100000 RMT= 1.61 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.8660254 0.5000000 0.0000000-0.5000000 0.8660254 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.23500000 Y=0.00000000 Z=0.00000000 MULT= 3 ISPLIT= 8 -3: X=0.76500000 Y=0.76500000 Z=0.00000000 -3: X=0.00000000 Y=0.23500000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 1.61 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.5000000 0.8660254 0.0000000 0.8660254-0.5000000 -1.0000000 0.0000000 0.0000000 ATOM -4: X=0.33000000 Y=0.00000000 Z=0.50000000 MULT= 3 ISPLIT= 8 -4: X=0.67000000 Y=0.67000000 Z=0.50000000 -4: X=0.00000000 Y=0.33000000 Z=0.50000000 Sr NPT= 781 R0=.000010000 RMT= 2.25 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 0.5000000 0.8660254 0.0000000 0.8660254-0.5000000 -1.0000000 0.0000000 0.0000000