P LATTICE,NONEQUIV.ATOMS 6 19 P212121 MODE OF CALC=RELA unit=bohr 11.631075 18.454876 19.195649 90.000000 90.000000 90.000000 ATOM -1: X=0.44080000 Y=0.03783000 Z=0.37170000 MULT= 4 ISPLIT= 8 -1: X=0.05920000 Y=0.96217000 Z=0.87170000 -1: X=0.94080000 Y=0.46217000 Z=0.62830000 -1: X=0.55920000 Y=0.53783000 Z=0.12830000 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 -2: X=0.03611000 Y=0.26429000 Z=0.21249000 MULT= 4 ISPLIT= 8 -2: X=0.46389000 Y=0.73571000 Z=0.71249000 -2: X=0.53611000 Y=0.23571000 Z=0.78751000 -2: X=0.96389000 Y=0.76429000 Z=0.28751000 Ga NPT= 781 R0=.000050000 RMT= 2.14 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 -3: X=0.17344000 Y=0.27221000 Z=0.41037000 MULT= 4 ISPLIT= 8 -3: X=0.32656000 Y=0.72779000 Z=0.91037000 -3: X=0.67344000 Y=0.22779000 Z=0.58963000 -3: X=0.82656000 Y=0.77221000 Z=0.08963000 Cl NPT= 781 R0=.000100000 RMT= 1.94 Z: 17.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.13696000 Y=0.44088000 Z=0.09760000 MULT= 4 ISPLIT= 8 -4: X=0.36304000 Y=0.55912000 Z=0.59760000 -4: X=0.63696000 Y=0.05912000 Z=0.90240000 -4: X=0.86304000 Y=0.94088000 Z=0.40240000 Cl NPT= 781 R0=.000100000 RMT= 1.94 Z: 17.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.68214000 Y=0.25812000 Z=0.21652000 MULT= 4 ISPLIT= 8 -5: X=0.81786000 Y=0.74188000 Z=0.71652000 -5: X=0.18214000 Y=0.24188000 Z=0.78348000 -5: X=0.31786000 Y=0.75812000 Z=0.28348000 Cl NPT= 781 R0=.000100000 RMT= 1.94 Z: 17.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.17605000 Y=0.07882000 Z=0.12571000 MULT= 4 ISPLIT= 8 -6: X=0.32395000 Y=0.92118000 Z=0.62571000 -6: X=0.67605000 Y=0.42118000 Z=0.87429000 -6: X=0.82395000 Y=0.57882000 Z=0.37429000 Cl NPT= 781 R0=.000100000 RMT= 1.94 Z: 17.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000