P LATTICE,NONEQUIV.ATOMS 3 129 P4/nmm MODE OF CALC=RELA unit=bohr 6.746322 6.746322 14.282550 90.000000 90.000000 90.000000 ATOM -1: X=0.25000000 Y=0.25000000 Z=0.08390000 MULT= 2 ISPLIT=-2 -1: X=0.75000000 Y=0.75000000 Z=0.91610000 Ga NPT= 781 R0=.000050000 RMT= 1.88 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=0.25000000 Y=0.25000000 Z=0.65030000 MULT= 2 ISPLIT=-2 -2: X=0.75000000 Y=0.75000000 Z=0.34970000 Ca NPT= 781 R0=.000050000 RMT= 2.33 Z: 20.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.25000000 Y=0.25000000 Z=0.33000000 MULT= 2 ISPLIT=-2 -3: X=0.75000000 Y=0.75000000 Z=0.67000000 N NPT= 781 R0=.000100000 RMT= 1.62 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000