P LATTICE,NONEQUIV.ATOMS 6 11 P21/m MODE OF CALC=RELA unit=bohr 15.612350 10.623662 17.517761 90.000000 90.000000 97.981000 ATOM -1: X=0.35440000 Y=0.53970000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.64560000 Y=0.46030000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.20 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.83890000 Y=0.06720000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.16110000 Y=0.93280000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.20 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.09320000 Y=0.31070000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.90680000 Y=0.68930000 Z=0.75000000 Ga NPT= 781 R0=.000050000 RMT= 2.20 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=0.31070000 Y=0.40570000 Z=0.57740000 MULT= 4 ISPLIT= 8 -4: X=0.68930000 Y=0.59430000 Z=0.42260000 -4: X=0.68930000 Y=0.59430000 Z=0.07740000 -4: X=0.31070000 Y=0.40570000 Z=0.92260000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.11590000 Y=0.82010000 Z=0.07260000 MULT= 4 ISPLIT= 8 -5: X=0.88410000 Y=0.17990000 Z=0.92740000 -5: X=0.88410000 Y=0.17990000 Z=0.57260000 -5: X=0.11590000 Y=0.82010000 Z=0.42740000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.48230000 Y=0.06590000 Z=0.25000000 MULT= 2 ISPLIT= 8 -6: X=0.51770000 Y=0.93410000 Z=0.75000000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000