P LATTICE,NONEQUIV.ATOMS 36 1 P1 MODE OF CALC=RELA unit=bohr 14.231528 17.461069 18.039326 98.070000109.550000102.190000 ATOM -1: X=0.98910000 Y=0.51190000 Z=0.50540000 MULT= 1 ISPLIT= 8 Sr NPT= 781 R0=.000010000 RMT= 2.22 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 -2: X=0.55480000 Y=0.55250000 Z=0.70930000 MULT= 1 ISPLIT= 8 Sr NPT= 781 R0=.000010000 RMT= 2.22 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 -3: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 8 Sr NPT= 781 R0=.000010000 RMT= 2.22 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 -4: X=0.82910000 Y=0.38860000 Z=0.06360000 MULT= 1 ISPLIT= 8 Sr NPT= 781 R0=.000010000 RMT= 2.22 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 -5: X=0.38670000 Y=0.94430000 Z=0.76620000 MULT= 1 ISPLIT= 8 Sr NPT= 781 R0=.000010000 RMT= 2.22 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 -6: X=0.39960000 Y=0.42960000 Z=0.27110000 MULT= 1 ISPLIT= 8 Sr NPT= 781 R0=.000010000 RMT= 2.22 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=0.61380000 Y=0.10920000 Z=0.18940000 MULT= 1 ISPLIT= 8 Te NPT= 781 R0=.000010000 RMT= 1.80 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.70830000 Y=0.72400000 Z=0.16280000 MULT= 1 ISPLIT= 8 Te NPT= 781 R0=.000010000 RMT= 1.80 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.15010000 Y=0.16560000 Z=0.43530000 MULT= 1 ISPLIT= 8 Te NPT= 781 R0=.000010000 RMT= 1.80 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.77350000 Y=0.83550000 Z=0.59110000 MULT= 1 ISPLIT= 8 Te NPT= 781 R0=.000010000 RMT= 1.80 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -11: X=0.23680000 Y=0.77770000 Z=0.34520000 MULT= 1 ISPLIT= 8 Te NPT= 781 R0=.000010000 RMT= 1.80 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -12: X=0.19360000 Y=0.28010000 Z=0.84760000 MULT= 1 ISPLIT= 8 Te NPT= 781 R0=.000010000 RMT= 1.80 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -13: X=0.19230000 Y=0.66070000 Z=0.93210000 MULT= 1 ISPLIT= 8 Te NPT= 781 R0=.000010000 RMT= 1.80 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -14: X=0.67160000 Y=0.21700000 Z=0.61140000 MULT= 1 ISPLIT= 8 Te NPT= 781 R0=.000010000 RMT= 1.80 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -15: X=0.25910000 Y=0.36100000 Z=0.52990000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -16: X=0.64210000 Y=0.35700000 Z=0.50190000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -17: X=0.89810000 Y=0.71700000 Z=0.70690000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -18: X=0.39210000 Y=0.11500000 Z=0.56390000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -19: X=0.22610000 Y=0.16700000 Z=0.26890000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -20: X=0.67410000 Y=0.32700000 Z=0.79390000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -21: X=0.30810000 Y=0.66200000 Z=0.78990000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -22: X=0.00010000 Y=0.34000000 Z=0.70690000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -23: X=0.40510000 Y=0.62300000 Z=0.08790000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -24: X=0.85810000 Y=0.26200000 Z=0.29990000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -25: X=0.09910000 Y=0.30100000 Z=0.00490000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -26: X=0.53010000 Y=0.68800000 Z=0.48790000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -27: X=0.26610000 Y=0.87600000 Z=0.01990000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -28: X=0.11710000 Y=0.07300000 Z=0.79090000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -29: X=0.70210000 Y=0.92000000 Z=0.74290000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -30: X=0.68310000 Y=0.02900000 Z=0.03090000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -31: X=0.49010000 Y=0.25100000 Z=0.09990000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -32: X=0.74310000 Y=0.64000000 Z=0.99290000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -33: X=0.74110000 Y=0.56600000 Z=0.27190000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -34: X=0.01710000 Y=0.84900000 Z=0.24190000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -35: X=0.13710000 Y=0.56300000 Z=0.27090000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -36: X=0.19610000 Y=0.78200000 Z=0.52190000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000