P LATTICE,NONEQUIV.ATOMS 7 198 P213 MODE OF CALC=RELA unit=bohr 23.591341 23.591341 23.591341 90.000000 90.000000 90.000000 ATOM -1: X=0.06690000 Y=0.06690000 Z=0.06690000 MULT= 4 ISPLIT= 4 -1: X=0.43310000 Y=0.93310000 Z=0.56690000 -1: X=0.56690000 Y=0.43310000 Z=0.93310000 -1: X=0.93310000 Y=0.56690000 Z=0.43310000 Ga NPT= 781 R0=.000050000 RMT= 2.50000 Z: 31.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -2: X=0.25160000 Y=0.31370000 Z=0.57850000 MULT=12 ISPLIT= 8 -2: X=0.24840000 Y=0.68630000 Z=0.07850000 -2: X=0.75160000 Y=0.18630000 Z=0.42150000 -2: X=0.57850000 Y=0.25160000 Z=0.31370000 -2: X=0.74840000 Y=0.81370000 Z=0.92150000 -2: X=0.92150000 Y=0.74840000 Z=0.81370000 -2: X=0.07850000 Y=0.24840000 Z=0.68630000 -2: X=0.42150000 Y=0.75160000 Z=0.18630000 -2: X=0.31370000 Y=0.57850000 Z=0.25160000 -2: X=0.18630000 Y=0.42150000 Z=0.75160000 -2: X=0.81370000 Y=0.92150000 Z=0.74840000 -2: X=0.68630000 Y=0.07850000 Z=0.24840000 Ga NPT= 781 R0=.000050000 RMT= 2.50000 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=0.07410000 Y=0.24410000 Z=0.19460000 MULT=12 ISPLIT= 8 -3: X=0.42590000 Y=0.75590000 Z=0.69460000 -3: X=0.57410000 Y=0.25590000 Z=0.80540000 -3: X=0.19460000 Y=0.07410000 Z=0.24410000 -3: X=0.92590000 Y=0.74410000 Z=0.30540000 -3: X=0.30540000 Y=0.92590000 Z=0.74410000 -3: X=0.69460000 Y=0.42590000 Z=0.75590000 -3: X=0.80540000 Y=0.57410000 Z=0.25590000 -3: X=0.24410000 Y=0.19460000 Z=0.07410000 -3: X=0.25590000 Y=0.80540000 Z=0.57410000 -3: X=0.74410000 Y=0.30540000 Z=0.92590000 -3: X=0.75590000 Y=0.69460000 Z=0.42590000 Ga NPT= 781 R0=.000050000 RMT= 2.50000 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=0.31460000 Y=0.31460000 Z=0.31460000 MULT= 4 ISPLIT= 4 -4: X=0.18540000 Y=0.68540000 Z=0.81460000 -4: X=0.81460000 Y=0.18540000 Z=0.68540000 -4: X=0.68540000 Y=0.81460000 Z=0.18540000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -5: X=0.68590000 Y=0.68590000 Z=0.68590000 MULT= 4 ISPLIT= 4 -5: X=0.81410000 Y=0.31410000 Z=0.18590000 -5: X=0.18590000 Y=0.81410000 Z=0.31410000 -5: X=0.31410000 Y=0.18590000 Z=0.81410000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -6: X=0.06220000 Y=0.52030000 Z=0.20210000 MULT=12 ISPLIT= 8 -6: X=0.43780000 Y=0.47970000 Z=0.70210000 -6: X=0.56220000 Y=0.97970000 Z=0.79790000 -6: X=0.20210000 Y=0.06220000 Z=0.52030000 -6: X=0.93780000 Y=0.02030000 Z=0.29790000 -6: X=0.29790000 Y=0.93780000 Z=0.02030000 -6: X=0.70210000 Y=0.43780000 Z=0.47970000 -6: X=0.79790000 Y=0.56220000 Z=0.97970000 -6: X=0.52030000 Y=0.20210000 Z=0.06220000 -6: X=0.97970000 Y=0.79790000 Z=0.56220000 -6: X=0.02030000 Y=0.29790000 Z=0.93780000 -6: X=0.47970000 Y=0.70210000 Z=0.43780000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.00350000 Y=0.30400000 Z=0.44290000 MULT=12 ISPLIT= 8 -7: X=0.49650000 Y=0.69600000 Z=0.94290000 -7: X=0.50350000 Y=0.19600000 Z=0.55710000 -7: X=0.44290000 Y=0.00350000 Z=0.30400000 -7: X=0.99650000 Y=0.80400000 Z=0.05710000 -7: X=0.05710000 Y=0.99650000 Z=0.80400000 -7: X=0.94290000 Y=0.49650000 Z=0.69600000 -7: X=0.55710000 Y=0.50350000 Z=0.19600000 -7: X=0.30400000 Y=0.44290000 Z=0.00350000 -7: X=0.19600000 Y=0.55710000 Z=0.50350000 -7: X=0.80400000 Y=0.05710000 Z=0.99650000 -7: X=0.69600000 Y=0.94290000 Z=0.49650000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000