P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 14.448468 8.533625 15.193965 90.000000 90.000000 90.000000 ATOM -1: X=0.27496000 Y=0.25000000 Z=0.40622000 MULT= 4 ISPLIT= 8 -1: X=0.72504000 Y=0.75000000 Z=0.59378000 -1: X=0.77496000 Y=0.25000000 Z=0.09378000 -1: X=0.22504000 Y=0.75000000 Z=0.90622000 As NPT= 781 R0=.000050000 RMT= 2.50000 Z: 33.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.00642000 Y=0.25000000 Z=0.70636000 MULT= 4 ISPLIT= 8 -2: X=0.99358000 Y=0.75000000 Z=0.29364000 -2: X=0.50642000 Y=0.25000000 Z=0.79364000 -2: X=0.49358000 Y=0.75000000 Z=0.20636000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.15700000 Y=0.25000000 Z=0.07400000 MULT= 4 ISPLIT= 8 -3: X=0.84300000 Y=0.75000000 Z=0.92600000 -3: X=0.65700000 Y=0.25000000 Z=0.42600000 -3: X=0.34300000 Y=0.75000000 Z=0.57400000 Li NPT= 781 R0=.000100000 RMT= 2.14 Z: 3.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000