P LATTICE,NONEQUIV.ATOMS 5 11 P21/m MODE OF CALC=RELA unit=bohr 17.600909 13.698625 7.955747 90.000000 90.000000108.870000 ATOM -1: X=0.03840000 Y=0.79620000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.96160000 Y=0.20380000 Z=0.75000000 Ba NPT= 781 R0=.000010000 RMT= 2.50000 Z: 56.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.61730000 Y=0.81080000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.38270000 Y=0.18920000 Z=0.75000000 Ba NPT= 781 R0=.000010000 RMT= 2.50000 Z: 56.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.70340000 Y=0.34030000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.29660000 Y=0.65970000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.36 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 -4: X=0.24640000 Y=0.46090000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.75360000 Y=0.53910000 Z=0.75000000 Ga NPT= 781 R0=.000050000 RMT= 1.91 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=0.17400000 Y=0.18500000 Z=0.25000000 MULT= 2 ISPLIT= 8 -5: X=0.82600000 Y=0.81500000 Z=0.75000000 N NPT= 781 R0=.000100000 RMT= 1.64 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000