TiO2 - 46, 48, 50 Fri Feb 26 16:17:03 2010 33 74 3 0 0.0000E+000 5.0000E+000 1.0000E+000 1.0000000000 a 1 3 0 25 0 2 1 0 0 -1 0 10000 3.052054095455047E+004 1.00000000E+037 /A(48) 20000 8.471758006360156E+003 1.00000000E+037 /B(48) 30000 6.613587282943709E+003 1.00000000E+037 /C(48) 10011 3.105147943812420E+004 1.00000000E+037 /A(46) 20011 8.471564343617887E+003 1.00000000E+037 /B(46) 30011 6.638200871389417E+003 1.00000000E+037 /C(46) 10022 3.003166457721968E+004 1.00000000E+037 /A(50) 20022 8.471935128837513E+003 1.00000000E+037 /B(50) 30022 6.590319302468935E+003 1.00000000E+037 /C(50) 200 -8.348058420326598E-003 1.00000000E+037 /-DelJ -211 -8.379489968252633E-003 1.00000000E-037 /-DelJ -222 -8.319192846470055E-003 1.00000000E-037 /-DelJ 1100 9.461746674575741E-002 1.00000000E+037 /-DelJK -1111 9.673576337726121E-002 1.00000000E-037 /-DelJK -1122 9.268003518594789E-002 1.00000000E-037 /-DelJK 2000 -7.326617792944768E-001 1.00000000E+037 /-DelK -2011 -7.574039872908673E-001 1.00000000E-037 /-DelK -2022 -7.102378651745431E-001 1.00000000E-037 /-DelK 40100 -2.979965380742905E-003 1.00000000E+037 /-delJ -40111 -2.964212364635175E-003 1.00000000E-037 /-delJ -40122 -2.994432371409671E-003 1.00000000E-037 /-delJ 41000 -1.679746038577767E-002 1.00000000E+037 /-delK -41011 -1.728218477950419E-002 1.00000000E-037 /-delK -41022 -1.634414369415648E-002 1.00000000E-037 /-delK 3000 6.089961493464212E-005 1.00000000E+037 /PhiK -3011 6.404207919728799E-005 1.00000000E-037 /PhiK -3022 5.802396759985141E-005 1.00000000E-037 /PhiK 2100 -7.493199229992089E-006 1.00000000E+037 /PhiKJ -2111 -7.812383938844878E-006 1.00000000E-037 /PhiKJ -2122 -7.197394121143421E-006 1.00000000E-037 /PhiKJ 42000 5.631590929647092E-006 1.00000000E+007 /phiK -42011 5.873731958385623E-006 1.00000000E-037 /phik -42022 5.407032192570608E-006 1.00000000E-037 /phik