AMS 2021.106 r99350 2021-12-03 2024-03-28T14:40:10.000 GEOMETRY OPTIMIZATION DFT PBE0 == Not Default == 2903.248686 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Restricted Restricted 0.00000 1.0E-08 1000 conjugate-gradient 78.39000 1.93000 1 3 2447.71713819 5419.26891107 Water DFT Restricted Restricted Point Charge Nuclei Frozen Orbital(s) Task GeometryOptimization GeometryOptimization MaxIterations 1000 End Restraints Distance 1 56 9.100 1.0 Distance 1 54 9.100 1.0 Distance 1 57 9.100 1.0 Distance 1 55 9.100 1.0 End System Atoms Si -0.004889330173638656 0.005869195618676873 0.001552761202196524 adf.R=1.908 W 2.509567086042522 2.502480467393824 0.1600753640613862 adf.R=1.992 W -2.500226780607714 2.52261155454262 -0.1393631135800302 adf.R=1.992 W -2.521759684510433 -2.489890724540607 0.09885937474586341 adf.R=1.992 W 2.492820283858793 -2.509256885687128 -0.1116343578218995 adf.R=1.992 W 0.09843545299472016 2.485229329514061 2.553398601073794 adf.R=1.992 W -0.153989500907885 -2.49169485793165 2.534887588184152 adf.R=1.992 W 0.1250484180243505 -2.474932878232141 -2.548197334799286 adf.R=1.992 W -0.08867763837655109 2.501767810768698 -2.533779866582786 adf.R=1.992 W -2.470129589244459 0.1400766118184919 -2.562889247790745 adf.R=1.992 W 2.506286746259032 -0.1126547582622167 -2.51868581752186 adf.R=1.992 W 2.460344632332384 0.1036176886831351 2.566503403597757 adf.R=1.992 W -2.515921668037136 -0.1097063027374716 2.521862726540956 adf.R=1.992 O 0.9276785007088167 0.9365024568816948 0.962557346611485 adf.R=1.517 O -0.9301435340291417 0.9502436607895673 -0.9529884218696637 adf.R=1.517 O -0.9542995397945264 -0.9309741988256116 0.9396847756774314 adf.R=1.517 O 0.9374458590648902 -0.9321535507179248 -0.9424244141504432 adf.R=1.517 O 1.161026887374901 1.146990418691351 -2.954336031312834 adf.R=1.517 O -1.161677991242354 1.136467829557529 2.966851834330106 adf.R=1.517 O -1.120694400155313 -1.116493070354295 -2.982314046949476 adf.R=1.517 O 1.101692347458484 -1.14555692341968 2.978826689027167 adf.R=1.517 O -2.996941264437007 1.118900031568402 1.089353799208803 adf.R=1.517 O 2.968636254705165 -1.113577856315816 1.132098466133865 adf.R=1.517 O -2.987012261352597 -1.08208553922863 -1.135988041827815 adf.R=1.517 O 2.996261291737495 1.102657868933332 -1.078614418620732 adf.R=1.517 O -1.111261050580864 -2.97235608134477 -1.126821172137944 adf.R=1.517 O 1.12036734109429 2.992329707009893 -1.087623598588306 adf.R=1.517 O 1.078472797804567 -2.989567925059458 1.11048950688488 adf.R=1.517 O -1.107045727356669 2.994203397867346 1.111045565111399 adf.R=1.517 O 1.498775499193748 1.515425858382213 3.402578248397806 adf.R=1.517 O -1.496806116240124 1.549543299394904 -3.389503521452547 adf.R=1.517 O -1.564488950064853 -1.524769130897973 3.367235956535288 adf.R=1.517 O 1.542868605173004 -1.513614180905884 -3.374126601073704 adf.R=1.517 O 3.39731299958341 1.437459623682034 1.486899689964668 adf.R=1.517 O -3.43023425148717 -1.437970147923165 1.422400632827643 adf.R=1.517 O 3.409247389394257 -1.455994532427055 -1.428730620817654 adf.R=1.517 O -3.395569249916256 1.474442554240929 -1.474586978827 adf.R=1.517 O -1.430048301129428 3.424814069608219 -1.451685438254152 adf.R=1.517 O 1.445305085189311 -3.403371539752647 -1.450127799313483 adf.R=1.517 O 1.448080740395326 3.403233021193374 1.479254088868762 adf.R=1.517 O -1.482163377292601 -3.401513061155879 1.430957884967434 adf.R=1.517 O 3.687163822393819 3.668983974941802 -0.1560644587103115 adf.R=1.517 O -3.668935503980525 3.69596416581329 0.1842793599300317 adf.R=1.517 O -3.693301067253855 -3.654644691506708 -0.2451012922653041 adf.R=1.517 O 3.655520634787498 -3.685232302133994 0.22385720352814 adf.R=1.517 O -0.2311618317183025 3.677791516360508 3.698628678363259 adf.R=1.517 O 0.1560206472931526 -3.691897464980177 3.677554216548133 adf.R=1.517 O -0.1947288691551951 -3.665280887836072 -3.698502500702045 adf.R=1.517 O 0.2502817083346092 3.699545237853991 -3.670860416115066 adf.R=1.517 O -3.657794247337106 -0.1761913303432875 -3.716952469764756 adf.R=1.517 O 3.711279747259097 0.2114947138155858 -3.652378603471832 adf.R=1.517 O 3.645407190574739 -0.2290012743088509 3.718641205858486 adf.R=1.517 O -3.718679367398735 0.2157933305636999 3.657538637312835 adf.R=1.517 Li 0.01808820491688726 9.105824338056776 0.01853623833630738 adf.R=2.125 Li -0.04087894188763376 -9.093979938104306 -0.03653255525608113 adf.R=2.125 Li 9.094540983391532 -0.00430559773313305 0.1028663444549969 adf.R=2.125 Li -9.104122057695148 0.06450669610523892 -0.101040678832466 adf.R=2.125 End BondOrders 1 14 1.0 1 15 1.0 1 16 1.0 1 17 1.0 2 14 1.0 2 25 1.0 2 27 1.0 2 34 1.0 2 40 1.0 2 42 1.0 3 15 1.0 3 22 1.0 3 29 1.0 3 37 1.0 3 38 1.0 3 43 1.0 4 16 1.0 4 24 1.0 4 26 1.0 4 35 1.0 4 41 1.0 4 44 1.0 5 17 1.0 5 23 1.0 5 28 1.0 5 36 1.0 5 39 1.0 5 45 1.0 6 14 1.0 6 19 1.0 6 29 1.0 6 30 1.0 6 40 1.0 6 46 1.0 7 16 1.0 7 21 1.0 7 28 1.0 7 32 1.0 7 41 1.0 7 47 1.0 8 17 1.0 8 20 1.0 8 26 1.0 8 33 1.0 8 39 1.0 8 48 1.0 9 15 1.0 9 18 1.0 9 27 1.0 9 31 1.0 9 38 1.0 9 49 1.0 10 15 1.0 10 20 1.0 10 24 1.0 10 31 1.0 10 37 1.0 10 50 1.0 11 17 1.0 11 18 1.0 11 25 1.0 11 33 1.0 11 36 1.0 11 51 1.0 12 14 1.0 12 21 1.0 12 23 1.0 12 30 1.0 12 34 1.0 12 52 1.0 13 16 1.0 13 19 1.0 13 22 1.0 13 32 1.0 13 35 1.0 13 53 1.0 End End Engine ADF Basis Type TZP Core None End XC Hybrid PBE0 End Solvation Surf Delley Solv name=Water cav0=0.0 cav1=0.0067639 Charged method=CONJ C-Mat POT SCF VAR ALL CSMRSP End EndEngine NOSYM 0 SCF CONVERGED 2903.248686 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248457.41222800 6276.38295200 256773.07968998 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 Si W W W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O Li Li Li Li 1.79949578 2.64618671 2.64627229 2.64636760 2.64635094 2.64638680 2.64628032 2.64634408 2.64641886 2.64630318 2.64637799 2.64633175 2.64631418 -1.10136486 -1.10142263 -1.10144506 -1.10130999 -0.98875195 -0.98872925 -0.98866283 -0.98873358 -0.98897516 -0.98899787 -0.98892000 -0.98904175 -0.98891616 -0.98887433 -0.98896453 -0.98904746 -0.96664776 -0.96659953 -0.96654165 -0.96658851 -0.96707466 -0.96692506 -0.96686527 -0.96688904 -0.96701469 -0.96689458 -0.96694902 -0.96690921 -0.80705049 -0.80710103 -0.80681140 -0.80709399 -0.80634905 -0.80643437 -0.80615076 -0.80641150 -0.80620224 -0.80635321 -0.80622201 -0.80640618 0.99931018 0.99929842 0.99929808 0.99930546 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O O O O O O -26.960 2.00 473 A 8.12 8.01 7.99 7.98 6.70 6.69 6.68 6.67 2.86 2.80 2.80 2.79 2.42 2.35 2.33 2.30 1.38 1.35 1.32 1.29 1.12 1.12 1.12 1.10 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 21 20 19 18 32 31 30 33 24 23 25 22 34 37 35 36 28 26 29 27 38 39 41 40 O O O O O O O O O O O O O O O O O O O O O O O O -26.630 2.00 474 A 7.51 7.44 7.42 7.38 6.33 6.32 6.30 6.21 2.68 2.68 2.59 2.58 2.28 2.26 2.20 2.15 1.72 1.71 1.71 1.68 1.25 1.24 1.20 1.19 1.05 1.05 1.03 1.03 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 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2.00 2.00 2.00 2.00 2.00 2.00 2.00 20 37 29 39 23 30 18 38 36 22 28 32 O O O O O O O O O O O O -26.071 2.00 496 A 11.93 11.91 11.83 11.73 11.70 11.66 1.79 1.79 1.76 1.63 1.61 1.37 1.36 1.36 1.32 1.24 1.24 1.17 1.17 1.14 1.04 1.03 1.02 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 25 19 26 40 35 33 34 41 21 27 24 36 31 32 28 18 22 39 30 23 20 29 38 O O O O O O O O O O O O O O O O O O O O O O O -26.071 2.00 497 A 10.12 10.07 10.07 10.01 9.86 9.74 4.52 4.44 4.33 4.29 4.20 3.84 1.71 1.57 1.51 1.50 1.46 1.26 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 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1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 3 1 3 1 3 1 6 6 1 3 1 3 1 1 3 P:x P:y P:z P:x P:y P:z P:y P:y P:z P:x P:z P:x P:x P:z D:xz P:x P:y P:y D:xy P:y D:xz P:z D:xz P:y S S P:z D:xz P:x D:xy P:x P:z D:xz -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -6.463 -6.463 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 2.00 2.00 1.33 0.80 1.33 0.80 1.33 1.33 0.80 28 18 28 18 22 22 36 32 36 38 38 32 26 26 7 19 35 33 9 19 11 25 13 25 11 13 35 5 33 3 40 40 8 O O O O O O O O O O O O O O W O O O W O W O W O W W O W O W O O W -14.953 2.00 501 A 4.59 4.40 4.36 4.16 4.02 3.98 3.45 3.39 3.38 3.35 3.25 3.20 2.44 2.34 1.91 1.90 1.88 1.80 1.78 1.74 1.47 1.47 1.46 1.43 1.39 1.39 1.38 1.32 -1.32 -1.32 1.19 1.10 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 1 1 1 3 6 6 3 3 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P:z P:y P:x S S D:xy P:z D:xz P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -6.463 -6.463 -4.382 -9.955 -4.382 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 2.00 2.00 0.80 1.33 0.80 1.33 21 24 21 27 24 27 41 31 34 34 41 31 19 19 12 35 2 40 4 10 25 25 26 4 2 7 26 9 40 O O O O O O O O O O O O O O W O W O W W O O O W W W O W O -14.478 2.00 503 A 9.21 8.47 5.05 4.23 3.87 3.28 2.81 2.23 2.09 1.83 1.79 1.64 1.43 1.38 1.25 1.22 1.21 1.15 1.12 1.05 1.00 1 1 1 1 1 1 1 1 1 1 3 3 3 3 3 1 3 1 3 3 2 P:x P:x P:y P:z P:y P:z P:x P:y P:z P:x D:yz D:yz D:xz D:yz D:yz P:y P:z P:z D:xy D:xy P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 2.299 -9.955 -4.382 -4.382 -3.913 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.00 1.33 0.80 0.80 0.67 17 14 17 17 16 15 36 39 33 34 5 11 8 12 2 14 1 14 8 11 1 O O O O O O O O O O W W W W W O Si O W W Si -14.477 2.00 504 A 8.03 7.61 4.63 4.35 4.18 3.60 2.08 2.00 1.98 1.66 1.65 1.63 1.61 1.57 1.55 1.49 1.36 1.32 1.32 1.31 1.24 1.15 1.11 1.10 1.04 1 1 1 1 1 1 1 3 1 1 2 1 3 3 1 1 3 3 3 3 3 3 3 3 1 P:y P:y P:z P:z P:z P:z P:y P:x P:y P:y P:x P:z D:xz D:xz P:y P:z D:yz D:yz D:yz D:yz D:xy D:xz D:xz D:xy P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 2.299 -9.955 -9.955 -3.913 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33 0.67 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 15 14 15 14 17 16 38 1 40 16 1 31 3 2 17 30 6 9 8 7 10 9 6 12 37 O O O O O O O Si O O Si O W W O O W W W W W W W W O -14.477 2.00 505 A 9.40 8.22 4.97 4.30 3.90 2.86 2.77 2.25 2.01 1.82 1.75 1.63 1.62 1.43 1.36 1.35 1.25 1.13 1.12 1.05 1 1 1 1 1 1 1 1 1 1 3 1 3 3 3 3 3 3 2 3 P:x P:x P:z P:z P:y P:y P:x P:z P:y P:x D:yz P:z D:yz D:xy P:y D:yz D:yz D:xz P:y D:xy -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 2.299 -4.382 -4.382 -4.382 -3.913 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.00 0.80 0.80 0.80 0.67 0.80 16 15 16 14 16 17 35 32 41 37 4 15 13 7 1 3 10 7 1 13 O O O O O O O O O O W O W W Si W W W Si W -14.196 2.00 506 A 4.42 4.18 4.00 3.64 3.43 3.30 3.04 2.82 2.27 2.19 2.06 2.01 1.96 1.92 1.74 1.63 1.61 1.56 1.55 1.52 1.45 1.39 1.38 1.37 1.36 1.36 1.34 1.33 1.32 1.23 1.17 1.16 1.14 1.08 1.06 1.06 1.04 1.03 1 1 1 1 1 1 1 1 3 3 3 1 3 1 1 3 3 3 1 3 1 3 3 3 1 1 1 1 3 1 1 1 1 1 1 1 3 3 P:x P:z P:z P:x P:z P:x P:x P:z D:xz D:xz D:xz P:x D:xz P:z P:z D:xy D:xy D:xz P:x D:xz P:y D:yz D:xz D:yz P:z P:x P:y P:y D:xz P:x P:y P:y P:x P:z P:y P:z D:yz D:yz -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 28 28 27 27 29 29 26 26 7 9 3 38 5 38 41 7 9 2 41 4 21 5 8 3 39 39 18 23 6 21 31 37 40 23 32 40 2 4 O O O O O O O O W W W O W O O W W W O W O W W W O O O O W O O O O O O O W W -14.196 2.00 507 A 4.81 4.36 4.09 3.86 3.35 3.04 2.97 2.88 2.82 2.80 2.76 2.51 2.44 2.24 2.14 2.08 1.89 1.87 1.83 1.83 1.79 1.64 1.61 1.58 1.57 1.52 1.40 1.39 1.34 1.22 1.15 1.13 1.12 1.12 1.05 1.05 1 1 1 1 1 1 1 3 3 3 3 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 1 1 1 1 1 3 3 1 3 3 P:x P:y P:x P:y P:z P:y P:z D:xy D:yz D:xy D:yz P:x P:y P:y P:z P:x P:z P:y P:y P:z P:y P:x P:z D:xy D:xy P:x P:y P:x P:y P:x P:z D:xz D:xy P:z D:xy D:xz -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 19 19 18 18 22 22 25 11 13 13 11 33 25 33 36 32 29 32 36 35 20 29 39 8 6 20 35 39 21 21 41 8 7 27 9 6 O O O O O O O W W W W O O O O O O O O O O O O W W O O O O O O W W O W W -14.195 2.00 508 A 4.70 4.66 4.12 3.57 3.38 3.12 2.81 2.79 2.78 2.77 2.71 2.48 2.42 2.22 2.18 2.16 2.04 1.92 1.87 1.84 1.78 1.75 1.70 1.70 1.68 1.66 1.49 1.31 1.27 1.25 1.18 1.12 1.01 1 1 1 1 1 1 3 3 1 3 3 1 1 1 1 1 1 1 1 1 1 3 1 1 1 3 1 1 3 1 3 1 3 P:z P:y P:z P:y P:x P:y D:yz D:yz P:x D:xy D:xy P:z P:y P:y P:x P:x P:z P:y P:y P:z P:x D:yz P:z P:x P:y D:yz P:z P:y D:xz P:y D:xz P:z D:yz -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 24 24 23 23 20 20 10 12 21 10 12 34 34 21 30 26 37 30 25 26 40 2 25 31 37 4 40 22 2 31 4 22 3 O O O O O O W W O W W O O O O O O O O O O W O O O W O O W O W O W -14.072 2.00 509 A 3.02 3.01 2.84 2.83 2.35 2.33 2.32 2.30 2.27 2.23 2.22 2.21 2.16 2.16 2.03 2.03 1.87 1.86 1.72 1.70 1.63 1.61 1.58 1.57 1.56 1.55 1.54 1.53 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 1 1 3 3 1 P:x P:x P:x P:x P:y P:x P:x P:y P:y P:y P:z P:z P:x P:x P:z P:z P:z P:z P:z P:z D:xy P:y D:xy P:y P:y D:xy D:xy P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 26 28 27 29 24 38 40 22 23 25 27 29 39 41 28 26 41 39 38 40 2 34 3 36 37 4 5 35 O O O O O O O O O O O O O O O O O O O O W O W O O W W O -14.072 2.00 510 A 3.02 3.00 2.89 2.84 2.43 2.42 2.40 2.37 2.30 2.28 2.19 2.16 2.03 2.00 1.97 1.96 1.74 1.72 1.69 1.68 1.66 1.66 1.66 1.64 1.64 1.64 1.62 1.57 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 3 P:x P:x P:x P:x P:z P:z P:z P:z P:x P:x P:x P:x P:y P:y P:y P:y P:y P:y P:z P:z P:z P:y P:y P:z D:xz D:xz D:xz D:xz -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 21 19 18 20 23 25 22 24 31 33 32 30 18 20 21 19 32 30 37 35 36 31 33 34 13 11 10 12 O O O O O O O O O O O O O O O O O O O O O O O O W W W W -13.940 2.00 511 A 3.99 3.78 3.50 3.49 3.44 3.43 3.40 3.14 2.90 2.86 2.73 2.73 2.46 2.36 2.28 2.25 2.11 2.10 2.07 1.93 1.85 1.79 1.63 1.54 1.47 1.46 1.39 1.31 1.23 1.21 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:z P:y P:z P:x P:x P:y P:z P:z P:y P:x P:y P:x P:z P:z P:x P:y P:y P:y P:x P:z P:x P:z P:z P:y P:x P:y P:y P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 28 26 20 25 18 26 23 28 23 18 20 25 38 40 35 32 30 17 37 17 17 40 38 37 16 30 32 35 14 15 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -13.940 2.00 512 A 5.13 4.85 4.79 4.53 2.91 2.84 2.66 2.61 2.39 2.36 2.20 2.09 1.98 1.80 1.70 1.70 1.67 1.52 1.42 1.32 1.28 1.26 1.17 1.16 1.13 1.12 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:x P:x P:x P:z P:x P:z P:y P:y P:x P:y P:x P:z P:x P:y P:z P:y P:x P:z P:x P:z P:x P:z P:y P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 29 27 27 29 41 39 39 41 14 15 21 19 31 23 19 25 37 21 30 14 33 25 20 34 18 23 14 O O O O O O O O O O O O O O O O O O O O O O O O O O O -13.939 2.00 513 A 4.46 4.22 4.20 4.00 3.31 3.27 3.09 2.87 2.78 2.72 2.66 2.40 2.10 1.99 1.87 1.78 1.64 1.61 1.55 1.47 1.46 1.27 1.24 1.10 1.07 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:z P:z P:y P:x P:y P:x P:y P:y P:y P:x P:z P:y P:x P:z P:z P:x P:z P:x P:y P:z P:z P:x P:x P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 24 22 22 24 21 19 34 21 19 36 31 16 36 33 15 34 16 26 28 33 32 14 38 28 31 18 26 O O O O O O O O O O O O O O O O O O O O O O O O O O O -13.918 2.00 514 A 2.18 2.14 2.13 2.09 1.66 1.63 1.62 1.61 1.61 1.58 1.56 1.53 1.28 1.27 1.26 1.23 1.22 1.21 1.21 1.19 1.18 1.17 1.16 1.15 1.11 1.11 1.11 1.11 1.10 1.09 1.09 1.07 1.07 1.07 1.07 1.07 1.07 1.06 1.06 1.06 1.05 1.05 1.05 1.05 1.04 1.04 1.04 1.03 1.03 1.03 1.03 1.03 1.03 1.02 1.02 1.02 1.02 1.02 1.00 1.00 1.00 1.00 1.00 1.00 1.00 3 3 3 3 3 3 3 3 3 3 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:z2 D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:x P:z P:y P:x P:z P:y P:y P:z P:x P:y P:x P:z P:x P:x P:x P:z P:z P:x P:y P:z P:y P:y P:x P:z P:y P:z P:z P:z P:x P:z P:y P:z P:x P:y P:x P:y P:y P:y P:x P:y P:z P:y P:y P:z P:y P:y P:x P:y P:x P:x P:z P:x P:x -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 2 3 5 4 10 12 6 7 8 11 9 13 23 18 26 24 19 27 29 21 22 28 25 20 39 30 20 28 38 29 31 36 35 21 33 27 25 22 34 25 40 35 36 41 19 30 26 37 33 18 41 32 24 34 20 40 24 22 21 23 28 31 39 38 32 W W W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -13.400 2.00 515 A 4.47 3.96 3.57 3.16 3.00 2.82 2.62 2.58 2.52 2.47 2.41 2.09 2.05 1.92 1.89 -1.72 1.63 1.62 1.50 1.41 1.37 1.33 -1.32 1.30 1.29 1.25 1.24 1.17 1.12 1.08 1.07 1.05 1.02 1 1 1 1 3 1 1 1 1 3 1 3 1 3 1 2 1 1 1 3 1 1 3 1 3 1 1 1 1 1 1 1 3 P:y P:y P:y P:y D:xy P:y P:x P:x P:x D:yz P:y D:xz P:x D:xy P:z P:y P:y P:x P:y D:x2-y2 P:x P:y P:y P:y D:x2-y2 P:z P:x P:x P:x P:y P:z P:x D:z2 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -3.913 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 2.299 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.67 1.33 1.33 1.33 0.80 1.33 1.33 0.00 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 17 15 14 16 2 27 17 25 15 9 41 11 14 4 18 1 40 35 26 5 16 49 1 42 3 32 34 24 51 38 14 42 8 O O O O W O O O O W O W O W O Si O O O W O O Si O W O O O O O O O W -13.399 2.00 516 A 4.75 4.72 4.14 3.60 2.85 2.75 2.49 2.43 2.21 2.20 2.19 2.13 2.01 -1.96 1.75 1.68 1.61 1.58 1.53 -1.50 1.47 1.43 1.37 1.36 1.33 1.33 1.22 1.17 1.13 1.07 1.03 1 1 1 1 3 1 1 1 3 1 1 3 1 2 1 3 1 1 1 3 3 1 1 1 3 1 1 1 3 1 1 P:x P:x P:x P:x D:xy P:x P:y P:x D:xy P:y P:y D:xz P:x P:x P:x D:yz P:z P:y P:y P:x D:x2-y2 P:y P:y P:x D:x2-y2 P:x P:x P:y D:xz D:yz P:x -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -3.913 -9.955 -4.382 -9.955 -9.955 -9.955 2.299 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 11.469 -9.955 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.67 1.33 0.80 1.33 1.33 1.33 0.00 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.00 1.33 14 16 17 15 5 23 14 37 3 16 28 12 36 1 22 7 21 38 17 1 2 29 15 52 4 45 34 39 13 1 53 O O O O W O O O W O O W O Si O W O O O Si W O O O W O O O W Si O -13.399 2.00 517 A 6.11 5.88 5.48 5.18 -2.59 2.49 2.39 2.36 2.35 2.28 2.20 -1.98 1.79 1.63 1.55 1.49 1.39 1.37 1.34 1.34 1.33 1.26 1.25 1.19 1.06 1.03 1 1 1 1 2 1 1 1 3 3 1 3 3 1 3 1 1 1 1 1 1 1 1 1 3 1 P:z P:z P:z P:z P:z P:z P:z P:z D:yz D:yz P:z P:z D:xz P:z D:xz P:z P:y P:z P:y P:z D:xy P:z P:z P:y D:z2 P:y -9.955 -9.955 -9.955 -9.955 -3.913 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 2.299 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 11.469 -9.955 -9.955 -9.955 -4.382 -9.955 1.33 1.33 1.33 1.33 0.67 1.33 1.33 1.33 0.80 0.80 1.33 0.00 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 0.80 1.33 15 16 17 14 1 33 30 20 8 6 19 1 10 31 13 32 29 50 26 48 1 53 46 15 9 16 O O O O Si O O O W W O Si W O W O O O O O Si O O O W O -13.387 2.00 518 A 3.29 3.12 2.78 2.68 2.35 2.28 2.27 2.10 2.09 1.99 1.98 1.89 1.85 1.79 1.79 1.74 1.66 1.66 1.61 1.60 1.57 1.49 1.42 1.41 1.41 1.38 1.36 1.32 1.22 1.20 1.18 1.14 1.13 1.11 1.11 1.10 1.01 1 1 1 1 1 1 1 1 3 3 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:y P:y P:y P:y D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:y P:y P:y P:y P:x P:x P:y P:y P:y P:y P:y P:y P:y D:x2-y2 P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 11.469 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 15 16 17 14 14 15 16 17 3 2 4 5 27 28 29 26 21 18 20 19 35 37 24 23 22 25 34 36 21 18 20 19 39 38 40 1 41 O O O O O O O O W W W W O O O O O O O O O O O O O O O O O O O O O O O Si O -13.386 2.00 519 A 3.67 3.41 3.38 3.37 2.05 2.04 2.03 2.00 1.98 1.98 1.97 1.93 1.79 1.65 1.63 1.61 1.48 1.32 1.21 1.19 1.18 1.09 1.09 1.07 1.03 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 1 1 3 1 3 1 P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:y P:y D:z2 D:z2 P:y D:z2 P:y D:z2 P:z D:z2 P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 11.469 -9.955 -4.382 -9.955 -4.382 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.00 1.33 0.80 1.33 0.80 1.33 16 14 17 15 28 26 27 24 22 29 25 23 30 33 31 32 17 16 8 7 14 1 15 6 21 9 18 O O O O O O O O O O O O O O O O O O W W O Si O W O W O -13.283 2.00 520 A 4.51 3.82 3.69 3.30 3.02 2.93 2.25 2.22 2.09 2.06 1.82 1.79 1.78 1.78 1.74 1.70 1.70 1.64 1.63 1.60 1.45 1.44 1.29 1.28 1.21 1.09 1.04 1.01 1 1 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 1 1 1 3 1 P:z P:y P:x D:z2 D:z2 P:z P:y P:x P:y P:x P:y P:z P:x P:z P:x P:y P:z P:z P:z P:z D:x2-y2 D:x2-y2 P:x P:y P:z P:z D:z2 P:z -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 18 27 25 2 4 20 26 24 25 27 24 41 41 35 26 35 40 25 27 34 5 3 40 34 26 24 6 28 O O O W W O O O O O O O O O O O O O O O W W O O O O W O -13.282 2.00 521 A 4.85 4.80 4.48 2.30 2.10 2.05 1.94 1.80 1.79 1.79 1.77 1.76 1.75 1.67 1.61 1.60 1.51 1.51 1.48 1.30 1.28 1.26 1.20 1.19 1.13 1.13 1.10 1.10 1.10 1.09 1.07 1.06 1.05 1 1 1 3 1 3 1 1 3 1 3 3 1 1 1 1 1 3 1 1 1 1 3 1 1 1 1 1 1 3 1 3 1 P:x P:y P:z D:x2-y2 P:x D:x2-y2 P:y P:x D:x2-y2 P:y D:x2-y2 D:z2 P:y P:y P:x P:z P:y D:z2 P:z P:z P:y P:z D:xz P:y P:x P:z P:x P:x P:x D:xy P:y D:yz P:x -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 23 28 21 10 21 12 31 31 9 21 7 3 26 37 20 23 23 5 37 24 30 28 12 18 28 38 32 24 30 5 34 7 38 O O O W O W O O W O W W O O O O O W O O O O W O O O O O O W O W O -13.282 2.00 522 A 4.86 4.73 4.61 2.24 2.15 2.13 1.94 1.92 1.85 1.71 1.70 1.70 1.69 1.67 1.62 1.57 1.55 1.53 1.41 1.36 1.34 1.28 1.25 1.19 1.15 1.13 1.10 1.09 1.07 1.07 1.06 1.05 1.05 1.03 1.03 1 1 1 3 1 3 1 3 1 1 3 1 1 3 1 1 3 1 1 1 1 1 1 3 1 3 1 1 1 3 3 1 3 1 1 P:x P:y P:z D:x2-y2 P:y D:x2-y2 P:y D:x2-y2 P:x P:x D:z2 P:x P:x D:x2-y2 P:x P:z D:z2 P:y P:z P:x P:z P:z P:x D:yz P:z D:xz P:y P:y P:y D:xy D:xy P:y D:xz P:y P:x -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 22 29 19 8 19 6 33 11 33 24 5 19 39 13 29 29 3 20 39 30 22 26 18 6 36 13 26 32 36 13 3 30 6 22 40 O O O W O W O W O O W O O W O O W O O O O O O W O W O O O W W O W O O -12.889 2.00 523 A 1.99 1.98 1.98 1.96 1.95 1.95 1.94 1.94 1.94 1.91 1.90 1.89 1.75 1.75 1.74 1.74 1.74 1.73 1.73 1.72 1.72 1.72 1.72 1.71 1.52 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 P:z P:x P:y P:x P:z P:y P:y P:z P:x P:y P:x P:z P:z P:x P:z P:y P:x P:y P:y P:x P:z P:z P:y P:x S -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 4.178 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 20 25 28 22 21 29 27 19 24 26 23 18 44 49 45 52 46 51 53 48 43 42 50 47 1 O O O O O O O O O O O O O O O O O O O O O O O O Si -12.706 2.00 524 A 4.58 4.11 3.49 3.49 3.29 3.17 3.13 2.87 2.44 2.35 2.30 2.15 1.68 1.63 1.60 1.60 1.47 1.44 1.32 1.24 1.21 1.10 1.09 1.09 1.06 1.03 1.03 1 3 3 1 1 1 1 1 1 1 3 3 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 P:x D:x2-y2 D:x2-y2 P:x P:x P:x P:x P:x P:x P:x D:z2 D:z2 P:y P:y P:y P:y P:x P:z P:z P:y P:x P:y P:y D:xz P:z P:z P:y -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 36 5 2 14 34 45 17 42 51 52 11 12 46 39 40 48 41 50 34 44 38 34 36 8 31 48 15 O W W O O O O O O O W W O O O O O O O O O O O W O O O -12.706 2.00 525 A 2.71 2.63 2.47 2.38 2.29 2.22 2.13 2.02 1.86 1.77 1.75 1.72 1.71 1.70 1.70 1.69 1.67 1.66 1.62 1.62 1.61 1.60 1.49 1.44 1.38 1.36 1.26 1.22 1.20 1.17 1.16 1.13 1.12 1.10 1.09 1.07 1.01 3 3 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:z2 D:z2 D:z2 D:z2 P:z P:z P:y P:y P:z P:z P:y P:z P:y P:z P:z P:y P:z P:z P:y P:z P:z P:z P:y P:y P:z P:y P:y P:y P:y P:z P:y P:y P:z P:y P:y P:y P:z -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 9 6 8 7 31 30 39 38 33 16 16 17 17 15 32 41 50 52 14 51 53 14 40 15 49 45 44 43 48 48 49 46 46 42 47 31 47 W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -12.705 2.00 526 A 4.70 3.62 3.59 3.32 3.12 3.10 3.01 2.85 2.75 2.73 2.67 2.52 1.47 1.44 1.41 1.31 1.26 1.25 1.24 1.23 1.23 1.19 1.18 1.10 1.08 1.07 1.06 1.02 1.01 1 3 1 1 1 3 1 3 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x D:x2-y2 P:x P:x P:x D:x2-y2 P:x D:z2 P:x D:z2 P:x P:x P:y P:z P:y P:z P:x P:y P:y P:y P:z P:z P:y P:x P:x P:z P:z P:y P:z -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 35 4 15 37 16 3 44 13 43 10 53 50 49 52 47 37 39 41 45 37 47 49 38 30 40 32 30 35 51 O W O O O W O W O W O O O O O O O O O O O O O O O O O O O -12.703 2.00 527 A 3.24 2.82 2.61 2.56 2.34 2.33 2.04 1.91 1.78 1.76 1.73 1.72 1.69 1.66 1.63 1.59 1.51 1.44 1.41 1.38 1.35 1.34 1.31 1.30 1.30 1.26 1.23 1.23 1.20 1.15 1.08 1.07 1.06 1.05 1.04 1.02 1.01 1.01 1 1 1 3 3 3 3 1 1 1 1 3 1 3 1 1 1 3 1 1 1 1 3 1 3 1 1 3 1 1 3 3 1 1 1 1 3 1 P:x P:x P:x D:z2 D:z2 D:x2-y2 D:x2-y2 P:z P:x P:x P:x D:x2-y2 P:y D:x2-y2 P:y P:y P:y D:x2-y2 P:x P:x P:z P:y D:xz P:x D:x2-y2 P:y P:x D:xy P:x P:x D:yz D:x2-y2 P:z P:y P:x P:z D:xz P:y -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 37 34 49 2 4 3 11 20 48 36 18 13 38 10 43 29 51 12 35 27 18 50 9 32 9 25 46 6 20 26 10 5 42 39 23 41 8 45 O O O W W W W O O O O W O W O O O W O O O O W O W O O W O O W W O O O O W O -12.702 2.00 528 A 3.24 2.86 2.80 2.64 2.33 2.12 1.96 1.91 1.91 1.89 1.73 1.70 1.66 1.62 1.55 1.52 1.44 1.43 1.39 1.37 1.31 1.30 1.30 1.22 1.20 1.19 1.19 1.10 1.08 1.08 1.06 1.04 1.04 1.02 1 3 1 3 1 1 3 1 1 3 3 1 1 1 1 3 1 1 1 3 1 1 1 1 1 3 1 1 1 1 1 3 3 1 P:y D:x2-y2 P:y D:z2 P:y P:x D:z2 P:z P:y D:x2-y2 D:x2-y2 P:z P:x P:y P:y D:x2-y2 P:y P:x P:y D:x2-y2 P:x P:z P:z P:z P:z D:yz P:y P:x P:z P:z P:y D:yz D:xy P:y -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 40 7 52 5 41 25 3 19 23 6 9 45 47 39 53 2 21 31 26 4 21 33 46 28 38 13 31 28 48 21 51 12 11 22 O W O W O O W O O W W O O O O W O O O W O O O O O W O O O O O W W O -12.702 2.00 529 A 3.42 2.83 2.47 2.41 2.34 2.30 2.18 2.10 1.85 1.82 1.79 1.69 1.59 1.58 1.55 1.41 1.39 1.38 1.35 1.35 1.29 1.29 1.28 1.27 1.23 1.20 1.18 1.18 1.16 1.08 1.07 1.05 1.01 1 1 3 1 1 1 3 3 3 3 1 3 1 1 3 1 3 3 1 1 1 1 1 1 3 1 1 3 1 1 1 1 3 P:z P:z D:z2 P:z P:z P:z D:z2 D:z2 D:z2 D:z2 P:z D:z2 P:x P:x D:z2 P:z D:z2 D:xz P:z P:z P:z P:y P:y P:y D:x2-y2 P:y P:z D:xz P:z P:y P:y P:y D:x2-y2 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 32 31 7 44 43 33 13 10 8 9 30 11 22 24 12 29 6 4 24 26 22 53 28 27 6 47 45 3 42 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2.52 2.52 2.50 2.49 2.47 2.47 2.41 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:z P:z P:x P:x P:z P:y P:y P:y P:y P:z P:y P:y P:x P:x P:z P:y P:x P:x P:z P:y P:x P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 51 50 52 44 53 48 47 45 49 43 46 46 44 42 52 47 48 45 43 53 42 50 49 51 O O O O O O O O O O O O O O O O O O O O O O O O -11.051 2.00 558 A 2.47 2.40 2.35 2.34 2.34 2.27 2.24 2.21 1.99 1.92 1.92 1.86 1.84 1.78 1.73 1.71 1.66 1.64 1.63 1.60 1.56 1.51 1.47 1.40 1.33 1.33 1.29 1.27 1.23 1.22 1.21 1.20 1.17 1.17 1.16 1.13 1.12 1.12 1.11 1.10 1.09 1.08 1.06 1.06 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 3 3 3 3 1 3 1 3 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:y P:y P:x P:y P:x P:y P:y P:y P:y P:x P:x P:z P:x P:z P:x P:z P:z 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6.45 6.26 5.43 5.23 4.52 4.51 4.35 4.31 3.72 3.42 3.38 2.88 2.34 2.05 1.98 1.97 1.86 1.44 1.43 1.09 1.09 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:x P:x P:z P:z P:x P:x P:y P:y P:y P:z P:y P:z P:x P:x P:y P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 50 51 49 48 50 51 17 15 53 52 49 48 46 52 47 53 16 14 14 16 15 O O O O O O O O O O O O O O O O O O O O O -10.965 2.00 566 A 6.47 6.31 5.34 5.22 4.81 4.45 4.20 4.16 3.72 3.44 3.42 2.78 2.27 2.14 2.02 1.93 1.92 1.48 1.40 1.27 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:y P:z P:y P:z P:y P:x P:y P:x P:x P:z P:x P:z P:y P:x P:y P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 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1.68 1.54 1.50 1.48 1.25 1.24 1.09 1.06 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y P:y P:z P:z P:y P:y P:x P:z P:y P:y P:x P:z P:y P:y P:x P:z P:x P:y P:z P:x P:z P:x P:x P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 33 30 35 34 37 39 40 36 31 26 26 32 19 40 29 25 20 19 25 29 23 35 41 23 20 46 48 33 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -10.749 2.00 569 A 6.42 6.18 4.78 4.34 3.88 3.83 3.80 3.42 2.52 2.51 2.48 2.40 2.40 2.34 2.17 2.01 1.96 1.95 1.76 1.74 1.72 1.54 1.53 1.51 1.33 1.30 1.20 1.12 1.09 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:z P:z P:x P:x P:x P:z P:x P:x P:z P:y P:x P:x P:y P:y P:z P:y P:x P:y P:z P:z P:y P:z P:y P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 31 30 41 39 37 34 40 38 33 24 21 32 23 24 20 27 23 34 27 21 29 20 41 29 37 39 35 52 50 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -10.627 2.00 570 A 2.32 2.32 2.30 2.29 2.29 2.28 2.28 2.28 2.27 2.26 2.26 2.24 2.19 2.18 2.17 2.16 2.16 2.14 2.14 2.13 2.13 2.13 2.12 2.10 1.98 1.97 1.95 1.95 1.93 1.93 1.92 1.91 1.91 1.91 1.91 1.89 1.86 1.86 1.85 1.85 1.84 1.84 1.82 1.82 1.81 1.80 1.80 1.78 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:x P:x P:y P:x P:z P:x P:y P:z P:y P:y P:z P:y P:y P:x P:x P:y P:y P:z P:x P:z P:z P:x P:z P:z P:x P:x P:y P:x P:x P:z P:y P:z P:y P:y P:y P:z P:x P:y P:x P:y P:z P:z P:y P:x P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 39 41 38 40 30 33 35 31 36 37 34 32 34 31 35 32 30 33 37 36 41 40 38 39 29 27 26 19 22 28 21 23 24 25 20 18 21 24 18 23 20 25 22 26 19 27 28 29 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -10.596 2.00 571 A 3.44 3.44 3.43 3.42 3.41 3.40 3.40 3.40 3.40 3.38 3.38 3.37 1.38 1.38 1.36 1.33 1.33 1.31 1.31 1.29 1.29 1.26 1.25 1.24 1.02 1.02 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:x P:y P:x P:z P:y P:y P:x P:z P:y P:z P:x P:x P:z P:y P:x P:z P:y P:y P:z P:x P:y P:z P:x P:x P:z P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 30 35 38 36 31 39 41 34 33 40 32 37 25 20 28 22 21 29 27 19 24 26 18 23 27 24 26 18 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -10.462 2.00 572 A 5.49 5.07 5.03 4.95 4.94 4.87 4.85 4.83 4.80 4.77 4.70 4.66 4.58 4.57 4.55 4.46 1.12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x D:yz -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 11.469 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 17 45 14 51 15 53 16 52 43 42 46 48 49 47 50 44 1 O O O O O O O O O O O O O O O O Si -10.462 2.00 573 A 3.91 3.67 3.60 3.56 3.33 3.12 3.10 3.01 3.00 2.95 2.93 2.90 2.73 2.72 2.61 2.52 2.42 2.40 2.27 2.24 2.05 1.72 1.72 1.69 1.66 1.65 1.62 1.51 1.49 1.25 1.22 1.21 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 14 48 46 17 44 43 42 50 53 52 51 16 45 15 49 47 14 48 17 46 50 53 44 43 52 45 42 15 51 16 47 49 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -10.461 2.00 574 A 3.87 3.85 3.74 3.72 3.36 3.30 3.12 3.09 3.07 3.05 3.05 3.02 2.95 2.88 2.69 2.66 2.41 2.35 2.34 2.31 1.90 1.88 1.72 1.70 1.64 1.64 1.62 1.54 1.38 1.35 1.23 1.17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 15 16 49 47 51 52 45 42 43 44 50 53 17 14 46 48 16 47 49 15 45 42 51 52 53 50 44 43 17 14 48 46 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -10.436 2.00 575 A 6.17 6.05 5.85 5.79 3.54 3.52 3.52 3.50 3.49 3.45 3.27 3.15 3.05 2.83 2.79 2.48 2.24 2.22 2.21 2.18 2.13 2.09 2.02 1.98 1.97 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:z P:x P:x P:z P:z P:z P:x P:x P:x P:x P:x P:x P:z P:z P:z D:z2 P:z P:y P:y P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 11.469 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 1.33 1.33 16 17 14 15 47 44 43 46 48 49 42 45 15 14 16 17 53 52 51 1 50 45 43 42 44 O O O O O O O O O O O O O O O O O O O Si O O O O O -10.435 2.00 576 A 5.75 5.69 5.58 5.51 3.72 3.71 3.70 3.69 3.69 3.64 3.60 3.55 3.51 3.49 3.45 3.27 2.18 1.80 1.80 1.78 1.75 1.70 1.66 1.57 1.46 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y P:y P:x P:y P:y P:x P:y P:x P:x P:x P:x P:x P:x D:x2-y2 P:y P:y P:y P:y P:z P:z P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 11.469 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 14 16 17 15 49 53 47 46 51 48 50 15 17 52 16 14 1 44 42 45 43 52 50 53 51 O O O O O O O O O O O O O O O O Si O O O O O O O O -10.312 2.00 577 A 2.25 2.25 2.20 2.15 2.13 2.10 2.09 2.06 2.04 2.00 1.96 1.95 1.76 1.74 1.74 1.73 1.73 1.71 1.71 1.71 1.68 1.67 1.65 1.64 1.62 1.61 1.61 1.59 1.57 1.57 1.56 1.56 1.56 1.54 1.52 1.52 1.05 1.05 1.04 1.03 1.03 1.03 1.02 1.02 1.02 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:z P:y P:z P:x P:y P:y P:x P:z P:y P:z P:x P:z P:x P:y P:y P:x P:z P:x P:z P:x P:z P:y P:y P:y P:y P:z P:x P:z P:x P:z P:y P:x P:y P:x P:z P:x P:y P:z P:x P:z P:y P:x P:y P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 23 18 26 19 24 27 29 22 21 28 20 25 40 39 37 33 41 38 32 36 30 34 31 35 34 32 37 31 41 40 35 36 33 30 38 39 49 52 44 46 45 53 48 51 43 50 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -10.192 2.00 578 A 3.61 3.44 3.33 3.30 3.28 3.16 3.00 2.77 2.74 2.61 2.61 2.46 2.40 2.36 2.34 2.26 2.18 2.12 2.11 1.80 1.79 1.76 1.75 1.74 1.72 1.65 1.58 1.56 1.48 1.39 1.34 1.31 1.15 1.05 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 3 1 1 P:x D:z2 D:z2 P:z P:x P:z P:y P:z P:x P:x P:x P:z P:x P:x P:x P:x P:y P:z P:y P:x P:x P:y P:y P:z P:y P:x P:y P:y D:x2-y2 D:xy D:xy D:x2-y2 P:y P:y -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 20 2 4 18 18 20 30 40 28 32 26 35 38 29 27 30 32 41 37 21 19 26 28 34 20 39 36 18 10 4 2 12 27 29 O W W O O O O O O O O O O O O O O O O O O O O O O O O O W W W W O O -10.191 2.00 579 A 3.52 3.33 3.19 3.13 3.07 3.05 2.95 2.93 2.93 2.93 2.90 2.88 2.83 2.80 2.60 2.56 2.12 1.98 1.80 1.72 1.71 1.67 1.43 1.38 1.31 1.27 1.25 1.18 1.17 1.16 1.16 1.12 1.10 1.09 1.03 1.02 1 1 1 1 1 1 3 1 3 1 1 1 1 1 1 1 3 3 1 1 1 1 1 1 1 1 1 3 3 1 1 1 3 3 1 1 P:z P:x P:y P:y P:y P:y D:z2 P:z D:z2 P:y P:x P:y P:z P:z P:x P:x D:x2-y2 D:x2-y2 P:y P:y P:y P:y P:x P:x P:z P:x P:y D:xy D:xy P:z P:z P:z D:yz D:yz P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 36 33 31 19 21 34 3 38 5 24 40 22 21 19 22 24 6 8 25 20 23 18 21 31 22 19 33 5 3 24 34 37 6 8 26 30 O O O O O O W O W O O O O O O O W W O O O O O O O O O W W O O O W W O O -10.191 2.00 580 A 3.41 3.22 3.17 3.14 3.11 2.96 2.67 2.56 2.54 2.50 2.43 2.43 2.41 2.34 2.33 2.29 2.28 2.18 2.12 1.97 1.97 1.87 1.54 1.53 1.42 1.32 1.24 1.12 1.12 1.08 1.07 1.05 1.04 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 3 1 1 1 1 1 3 1 3 1 3 3 1 P:z P:z P:z P:z P:y P:x P:x P:y P:x P:z P:z P:y P:z P:z P:x P:z P:z P:y D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:x P:y P:x P:z P:y D:yz P:y D:yz P:z D:xz D:xz P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 25 27 29 23 35 41 23 29 25 39 37 27 28 22 31 26 24 33 7 9 13 11 39 37 38 35 36 9 25 7 41 13 11 29 O O O O O O O O O O O O O O O O O O W W W W O O O O O W O W O W W O -9.853 2.00 581 A 6.71 6.55 4.74 4.34 3.88 3.72 3.72 3.57 3.34 3.20 2.72 2.68 2.68 2.65 2.57 2.54 1.97 1.97 1.74 1.61 1.56 1.48 1.44 1.38 1.20 1.06 1.06 1.05 1.03 1.02 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:x P:x P:z P:x P:z P:x P:z P:z P:y P:y P:y P:x P:x P:y P:z P:y P:z P:x P:x P:x P:y P:y P:y P:x P:z P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 17 15 49 48 42 14 51 17 50 45 31 33 42 14 15 44 43 43 47 44 46 36 34 51 49 45 38 52 21 19 40 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.853 2.00 582 A 6.14 5.82 4.68 4.64 4.61 4.31 4.27 3.75 3.05 2.69 2.63 2.63 2.55 2.44 2.27 2.22 2.14 2.07 1.98 1.80 1.77 1.74 1.67 1.60 1.54 1.17 1.15 1.10 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y P:z P:y P:y P:z P:y P:z P:x P:z P:x P:y P:z P:x P:z P:z P:y P:y P:z P:y P:y P:x P:y P:x P:x P:x P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 16 14 17 52 16 45 53 44 47 14 46 17 43 30 45 32 50 42 47 51 39 41 52 48 42 36 34 51 18 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.852 2.00 583 A 6.33 6.01 5.34 5.21 4.72 4.19 3.97 3.94 3.79 3.45 2.99 2.84 2.59 2.56 2.38 2.37 2.16 2.05 1.49 1.42 1.30 1.14 1.06 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:y P:y P:y P:y P:y P:y P:x P:x P:x P:x P:x P:x P:y P:y P:y P:y P:z P:z P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 15 16 53 50 46 49 14 48 15 47 51 52 35 43 37 44 16 17 38 40 46 16 14 23 O O O O O O O O O O O O O O O O O O O O O O O O -9.829 2.00 584 A 9.05 8.42 7.20 6.10 5.92 5.34 4.80 4.68 4.24 3.52 2.68 2.17 1.37 1.23 1.15 1.15 1.15 1.14 1.11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:x P:y P:x P:y P:y P:y P:x P:x P:z P:z P:x P:z P:y P:z P:y P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 32 30 36 38 37 28 39 29 22 23 18 20 34 28 32 29 27 22 23 O O O O O O O O O O O O O O O O O O O -9.829 2.00 585 A 9.38 9.32 6.98 5.88 5.22 4.22 3.93 3.77 3.14 3.05 2.71 2.44 2.02 1.90 1.35 1.33 1.30 1.20 1.17 1.16 1.16 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:z P:z P:y P:x P:x P:y P:x P:z P:z P:y P:z P:x P:x P:y P:y P:x P:z P:y P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 40 35 33 19 38 25 37 26 36 18 20 39 32 22 19 19 29 26 40 25 30 26 O O O O O O O O O O O O O O O O O O O O O O -9.829 2.00 586 A 10.64 10.58 9.21 6.18 5.15 5.06 3.96 3.77 2.21 2.10 1.74 1.69 1.58 1.55 1.43 1.41 1.41 1.32 1.31 1.24 1.17 1.13 1.09 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:x P:x P:z P:y P:y P:z P:x P:x P:y P:z P:z P:z P:y P:y P:y P:z P:x P:x P:x P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 41 31 34 24 21 27 39 33 25 23 40 30 20 24 21 24 26 27 27 37 21 41 35 O O O O O O O O O O O O O O O O O O O O O O O -9.505 2.00 587 A 3.26 3.20 2.76 2.69 2.55 2.52 2.36 2.33 2.30 2.26 2.21 2.15 1.96 1.95 1.93 1.78 1.73 1.67 1.63 1.62 1.55 1.44 1.44 1.37 1.35 1.31 1.29 1.29 1.28 1.27 1.21 1.19 1.17 1.12 1.11 1.10 1.06 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:x P:y P:x P:y P:z P:x P:x P:x P:x P:y P:y P:x P:x P:x P:z P:y P:z P:x P:x P:y P:x P:z P:z P:y P:z P:z P:z P:z P:x P:z P:z P:y P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 14 16 15 17 28 22 29 23 22 38 39 18 34 36 37 20 35 32 23 40 28 22 30 18 23 44 36 41 42 30 51 50 33 32 18 28 45 20 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.504 2.00 588 A 3.32 3.15 2.82 2.73 2.68 2.51 2.38 2.34 2.31 2.27 2.18 2.13 2.07 1.93 1.88 1.86 1.69 1.62 1.60 1.60 1.53 1.51 1.48 1.40 1.39 1.30 1.27 1.25 1.25 1.21 1.20 1.19 1.17 1.10 1.09 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y P:y P:x P:z P:y P:y P:x P:y P:y P:y P:x P:x P:y P:x P:y P:y P:y P:z P:z P:z P:x P:z P:z P:y P:y P:z P:x P:z P:z P:y P:x P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 15 17 16 25 14 26 26 19 35 27 24 34 38 40 41 33 37 26 21 39 27 25 40 19 31 45 30 31 43 36 46 47 27 42 19 25 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.503 2.00 589 A 3.47 3.37 3.36 3.26 1.88 1.88 1.86 1.81 1.71 1.71 1.70 1.61 1.59 1.57 1.55 1.50 1.43 1.40 1.36 1.32 1.32 1.31 1.31 1.30 1.29 1.25 1.24 1.22 1.20 1.20 1.16 1.15 1.15 1.15 1.12 1.12 1.07 1.07 1.05 1.03 1.02 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:x P:y P:z P:z P:z P:z P:x P:z P:z P:z P:z P:z P:y P:y P:z P:z P:y P:z P:z P:x P:z P:x P:z P:z P:x P:z P:y P:y P:x P:z P:y P:y P:z P:z P:x P:x P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 17 14 16 15 21 21 24 27 41 34 20 37 33 38 23 28 18 20 29 36 31 22 39 18 30 31 32 35 30 40 19 32 50 21 49 46 26 25 53 52 19 39 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.382 2.00 590 A 7.01 6.95 6.94 6.85 4.22 4.19 4.19 4.17 3.92 3.88 3.86 3.80 2.36 2.36 2.33 2.32 1.92 1.88 1.84 1.81 1.08 1.05 1.02 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:x P:x P:x P:x P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:x P:x P:z P:z P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 35 36 34 37 48 46 49 47 31 30 33 32 43 42 44 45 25 22 24 23 20 21 18 19 O O O O O O O O O O O O O O O O O O O O O O O O -9.381 2.00 591 A 7.08 7.08 7.08 6.99 4.27 4.27 4.26 4.26 3.68 3.62 3.61 3.60 2.25 2.21 2.18 2.16 1.94 1.88 1.88 1.86 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:z P:z P:y P:y P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 41 38 39 40 52 50 53 51 30 31 33 32 45 44 42 43 28 27 29 26 O O O O O O O O O O O O O O O O O O O O -9.243 2.00 592 A 7.42 5.70 5.56 5.28 4.98 4.81 4.09 3.31 3.19 3.12 3.11 2.53 2.23 2.14 1.84 1.82 1.45 1.39 1.30 1.24 1.21 1.15 1.06 1.06 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:x P:z P:x P:y P:z P:y P:x P:x P:y P:z P:x P:y P:x P:y P:x P:y P:z P:z P:x P:x P:y P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 42 51 49 44 25 27 18 50 48 24 26 20 39 37 38 36 15 17 37 39 37 17 15 39 36 O O O O O O O O O O O O O O O O O O O O O O O O O -9.242 2.00 593 A 7.68 7.66 7.46 5.76 5.65 5.65 2.31 2.09 1.92 1.90 1.73 1.73 1.69 1.68 1.45 1.37 1.35 1.33 1.18 1.11 1.05 1.04 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:x P:y P:z P:x P:y P:z P:y P:z P:x P:y P:z P:x P:x P:z P:x P:y P:z P:y P:x P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 45 52 47 28 21 23 50 43 35 35 33 33 40 40 16 17 49 14 36 34 24 32 20 O O O O O O O O O O O O O O O O O O O O O O O -9.242 2.00 594 A 7.29 6.75 5.78 5.21 4.93 4.70 4.03 2.36 2.35 2.15 2.05 1.96 1.86 1.81 1.79 1.69 1.62 1.53 1.43 1.41 1.39 1.29 1.21 1.19 1.12 1.09 1.02 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:z P:z P:y P:x P:x P:z P:y P:y P:y P:y P:x P:z P:z P:z P:y P:x P:z P:z P:z P:z P:x P:x P:y P:z P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 46 53 43 19 29 22 48 20 50 31 26 51 31 41 44 15 32 24 38 31 34 32 30 41 16 16 30 18 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.118 2.00 595 A 5.50 5.37 4.05 3.89 3.25 3.11 2.87 2.68 2.23 2.21 2.14 2.08 2.02 1.99 1.97 1.91 1.84 1.80 1.75 1.74 1.71 1.65 1.62 1.52 1.47 1.36 1.32 1.26 1.21 1.20 1.10 1.10 1.09 1.06 1.04 1.02 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:x P:x P:y P:y P:x P:x P:x P:x P:z P:x P:z P:x P:y P:x P:x P:y P:x P:x P:x P:z P:y P:x P:y P:y P:z P:y P:z P:x P:y P:x P:z P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 46 34 47 35 49 37 52 40 14 18 48 20 42 36 30 16 53 32 26 41 28 15 38 18 28 17 32 18 38 20 36 22 36 30 20 27 29 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.117 2.00 596 A 5.66 5.47 4.10 3.97 3.60 3.49 2.43 2.40 2.36 2.36 2.28 2.11 2.07 2.05 1.98 1.92 1.91 1.90 1.84 1.75 1.70 1.52 1.51 1.50 1.50 1.39 1.21 1.10 1.09 1.09 1.09 1.08 1.03 1.01 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y P:y P:y P:x P:y P:y P:y P:x P:y P:y P:z P:y P:y P:y P:z P:y P:y P:y P:x P:z P:y P:x P:x P:x P:y P:z P:y P:x P:y P:y P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 50 38 51 39 53 41 49 52 15 40 37 21 19 43 17 23 25 31 16 33 35 25 19 14 48 36 33 31 35 22 19 24 26 21 40 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.117 2.00 597 A 5.61 5.33 4.81 4.56 3.64 3.46 3.01 2.82 2.34 2.14 2.11 2.10 2.10 2.09 1.92 1.91 1.79 1.70 1.65 1.65 1.56 1.56 1.43 1.36 1.36 1.31 1.27 1.22 1.19 1.18 1.18 1.12 1.11 1.11 1.09 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:x P:z P:x P:z P:z P:z P:z P:z P:x P:x P:z P:z P:z P:y P:z P:y P:z P:y P:x P:x P:x P:x P:z P:z P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 45 33 44 32 42 30 43 31 17 29 48 16 36 27 14 24 22 15 47 35 34 41 23 27 25 51 39 39 24 41 27 29 37 26 28 29 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.066 2.00 598 A 3.76 3.70 3.69 3.58 3.56 3.36 3.34 3.33 3.25 3.08 2.62 2.61 2.57 2.57 2.55 2.25 1.92 1.90 1.83 1.67 1.65 1.58 1.57 1.56 1.55 1.41 1.22 1.13 1.11 1.09 1.08 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:y P:x P:y P:y P:y P:x P:x P:y P:x P:x P:y P:x P:x P:y P:y P:y P:y P:z P:y P:z P:y P:z P:y P:y P:y P:z P:y P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 42 45 49 44 47 45 42 43 43 44 52 25 35 50 37 23 38 40 28 26 25 53 23 51 26 23 25 39 28 27 41 29 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.066 2.00 599 A 4.26 4.10 3.12 2.94 2.89 2.70 2.49 2.47 2.43 2.41 2.35 2.06 2.03 1.94 1.89 1.87 1.87 1.84 1.82 1.76 1.72 1.69 1.67 1.63 1.63 1.62 1.61 1.60 1.59 1.49 1.48 1.48 1.38 1.36 1.31 1.30 1.30 1.21 1.18 1.16 1.15 1.12 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:z P:z P:z P:y P:y P:z P:y P:y P:z P:x P:y P:z P:x P:y P:x P:y P:y P:x P:y P:z P:x P:x P:y P:y P:z P:x P:x P:x P:x P:y P:x P:x P:y P:z P:x P:z P:z P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 44 42 30 32 20 18 48 51 53 49 46 49 51 46 18 50 20 47 48 48 39 53 41 47 50 18 29 27 46 36 52 29 34 20 22 24 22 24 51 52 27 53 16 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.065 2.00 600 A 4.50 4.43 3.28 3.25 3.07 2.97 2.49 2.35 2.33 2.22 2.20 2.03 2.01 1.99 1.92 1.89 1.87 1.81 1.76 1.74 1.73 1.72 1.65 1.62 1.62 1.59 1.58 1.45 1.43 1.30 1.24 1.19 1.16 1.15 1.14 1.13 1.11 1.11 1.09 1.08 1.06 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:z P:z P:z P:z P:z P:x P:z P:y P:y P:x P:x P:x P:x P:x P:x P:y P:y P:y P:z P:y P:y P:x P:y P:z P:z P:z P:x P:x P:y P:y P:x P:x P:x P:y P:z P:y P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 45 43 31 33 21 19 53 52 47 50 46 21 48 19 51 53 52 46 48 49 47 19 51 46 50 21 52 49 50 48 36 34 24 40 24 22 26 38 17 28 15 26 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.022 2.00 601 A 6.99 6.21 5.60 5.10 4.09 3.33 2.80 2.70 2.65 2.42 2.37 2.37 2.23 2.20 1.99 1.88 1.84 1.79 1.72 1.65 1.63 1.59 1.50 1.43 1.42 1.37 1.33 1.22 1.13 1.11 1.04 1.02 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:x P:x P:x P:y P:y P:x P:z P:x P:z P:x P:x P:x P:z P:x P:x P:z P:x P:y P:x P:y P:y P:y P:z P:x P:y P:y P:x P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 23 22 24 25 37 36 34 43 45 35 50 45 52 43 52 15 51 50 17 53 14 39 16 44 42 29 30 53 28 38 47 51 20 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.021 2.00 602 A 6.93 5.55 4.56 4.15 3.39 3.18 3.17 3.16 3.13 3.07 2.87 2.84 2.55 2.34 2.26 2.15 2.13 1.99 1.88 1.78 1.78 1.70 1.53 1.41 1.25 1.23 1.16 1.12 1.11 1.05 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y P:z P:y P:y P:z P:y P:z P:z P:y P:x P:z P:y P:x P:x P:y P:x P:y P:z P:y P:y P:y P:y P:x P:z P:y P:x P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 26 29 40 27 46 39 48 19 28 48 33 46 42 20 44 35 44 41 25 14 30 42 17 50 16 45 43 38 51 53 15 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.021 2.00 603 A 6.39 6.32 4.10 3.94 3.88 3.84 3.35 3.29 3.12 3.12 2.80 2.80 2.39 2.38 2.00 1.93 1.72 1.67 1.60 1.57 1.52 1.49 1.39 1.37 1.30 1.25 1.24 1.17 1.15 1.14 1.10 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:z P:z P:y P:y P:z P:z P:y P:y P:y P:y P:x P:x P:z P:z P:z P:z P:z P:x P:x P:z P:x P:x P:z P:z P:z P:z P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 18 21 32 31 20 19 49 47 47 49 27 28 38 41 50 53 16 15 33 30 51 52 51 52 36 34 17 14 53 45 42 50 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.012 2.00 604 A 4.52 4.46 4.42 4.39 4.38 4.37 4.35 4.31 4.30 4.26 4.24 4.24 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:y P:z P:x P:z P:z P:y P:x P:x P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 47 53 50 43 49 42 44 52 48 46 51 45 O O O O O O O O O O O O -8.948 2.00 605 A 9.42 9.05 5.59 5.29 3.93 3.73 2.82 2.81 2.81 2.61 2.27 2.12 2.08 1.82 1.81 1.76 1.71 1.64 1.60 1.45 1.35 1.35 1.35 1.31 1.17 1.15 1.15 1.13 1.10 1.05 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:z P:z P:y P:x P:x P:y P:z P:z P:z P:z P:y P:y P:y P:y P:z P:y P:z P:z P:y P:y P:z P:z P:z P:y P:z P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 14 17 22 24 17 15 14 36 34 15 21 19 16 14 44 43 28 47 53 26 47 50 49 16 20 18 31 17 33 49 34 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.947 2.00 606 A 7.68 7.38 7.03 6.53 4.43 4.34 4.13 3.78 3.36 3.17 2.34 2.24 2.11 2.02 2.02 1.99 1.97 1.87 1.51 1.39 1.14 1.05 1.05 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y P:y P:z P:z P:y P:y P:x P:x P:z P:z P:y P:y P:x P:x P:x P:x P:x P:x P:x P:y P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 16 14 14 15 18 20 28 26 15 16 30 32 40 38 45 51 25 23 50 44 43 48 53 35 O O O O O O O O O O O O O O O O O O O O O O O O -8.947 2.00 607 A 7.61 7.39 6.54 5.84 5.03 5.02 4.61 4.10 3.84 3.35 3.10 3.01 2.26 2.23 1.89 1.83 1.60 1.58 1.53 1.52 1.48 1.37 1.25 1.22 1.08 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:x P:x P:z P:z P:y P:y P:x P:x P:z P:z P:y P:y P:x P:x P:z P:z P:z P:x P:z P:x P:z P:y P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 17 16 15 16 17 15 27 29 25 23 21 19 39 41 37 35 31 33 46 42 52 52 49 42 46 51 O O O O O O O O O O O O O O O O O O O O O O O O O O -8.924 2.00 608 A 4.62 4.62 4.60 4.52 3.10 2.98 2.84 2.82 2.81 2.67 2.64 2.53 2.52 2.41 2.35 2.21 2.08 2.06 2.06 2.05 2.01 1.94 1.84 1.82 1.30 1.26 1.22 1.17 1.12 1.07 1.05 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:y P:y P:y P:y P:y P:y P:y P:y P:x P:x P:x P:x P:z P:z P:x P:z P:x P:z P:x P:x P:y P:z P:z P:y P:y P:y P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 23 24 22 25 44 45 43 29 42 26 28 27 43 44 45 42 53 52 16 51 17 50 14 15 16 24 23 15 23 14 22 22 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.924 2.00 609 A 4.96 4.86 4.70 4.46 3.01 2.96 2.89 2.83 2.44 2.38 2.29 2.29 2.28 2.26 2.23 2.22 2.22 2.18 2.18 2.16 2.14 2.04 1.88 1.86 1.26 1.23 1.11 1.08 1.08 1.07 1.05 1.02 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:y P:y P:y P:y P:y P:y P:y P:x P:z P:y P:x P:x P:z P:z P:z P:z P:z P:x P:z P:z P:x P:x P:y P:y P:x P:y P:y P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 20 19 21 18 46 48 49 47 29 26 27 50 49 28 53 52 47 48 46 16 15 51 14 17 18 19 21 15 20 18 19 21 20 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.740 2.00 610 A 5.02 4.92 4.75 4.67 4.55 4.52 4.50 4.42 4.41 4.36 4.27 4.16 4.14 4.13 4.09 3.76 2.19 2.18 2.01 1.99 1.50 1.05 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:y P:z P:y P:z P:z P:y P:y P:z P:y P:y P:z P:z P:z P:y P:z P:z P:y P:y P:x P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 35 36 34 35 22 24 34 37 23 37 36 25 22 23 25 24 42 44 51 53 23 50 52 O O O O O O O O O O O O O O O O O O O O O O O -8.740 2.00 611 A 4.30 4.11 4.07 3.98 3.87 3.86 3.75 3.49 3.32 3.28 3.26 3.13 3.07 3.02 3.00 2.70 2.67 2.63 2.01 1.97 1.65 1.58 1.55 1.54 1.48 1.25 1.22 1.14 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:x P:z P:x P:z P:z P:x P:x P:z P:x P:x P:x P:z P:x P:z P:x P:x P:z P:z P:z P:y P:y P:y P:y P:y P:x P:x P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 38 39 41 27 26 29 38 41 40 40 26 28 28 29 39 47 49 27 45 43 26 20 31 32 19 18 30 19 31 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.740 2.00 612 A 4.50 4.37 4.21 3.98 3.94 3.88 3.88 3.81 3.75 3.73 3.42 3.29 3.23 3.23 3.06 2.98 2.90 2.88 1.74 1.73 1.67 1.63 1.47 1.37 1.34 1.26 1.22 1.21 1.14 1.14 1.11 1.10 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:x P:y P:x P:x P:x P:x P:x P:y P:x P:y P:x P:y P:y P:x P:x P:z P:z P:z P:z P:z P:y P:y P:x P:x P:z P:y P:x P:x P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 33 30 21 30 18 20 32 31 33 19 31 18 32 21 19 20 48 46 40 28 39 27 18 50 52 29 41 21 53 26 38 51 39 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.675 2.00 613 A 4.51 4.42 4.40 4.39 4.32 4.18 4.16 4.07 3.64 3.61 3.57 3.51 3.49 3.48 3.42 3.38 2.57 2.49 2.18 2.14 1.91 1.78 1.74 1.63 1.59 1.54 1.50 1.37 1.17 1.14 1.13 1.11 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:y P:x P:y P:y P:x P:x P:x P:x P:x P:y P:y P:x P:y P:y P:x P:x P:x P:x P:y P:y P:y P:y P:y P:y P:y P:y P:x P:z P:z P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 24 29 34 39 22 36 26 40 41 27 38 37 35 28 25 23 36 34 24 22 41 39 40 38 27 26 29 28 37 22 24 35 23 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.674 2.00 614 A 4.76 4.73 4.54 4.52 4.05 3.96 3.54 3.52 3.51 3.50 3.48 3.43 2.95 2.84 2.77 2.70 2.56 2.53 2.53 2.49 2.24 2.19 2.10 1.89 1.50 1.33 1.22 1.19 1.11 1.10 1.04 1.04 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:x P:x P:z P:x P:x P:z P:z P:z P:z P:x P:x P:z P:z P:z P:x P:z P:x P:z P:x P:x P:x P:z P:x P:y P:y P:z P:y P:x P:y P:z P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 25 18 32 35 20 30 34 23 24 37 31 21 36 32 22 33 30 19 18 37 35 23 20 25 20 23 26 30 34 18 40 37 28 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.673 2.00 615 A 4.70 4.54 4.42 4.28 4.25 4.25 4.16 4.14 3.47 3.38 3.35 3.25 3.24 3.20 3.12 3.08 2.79 2.73 2.38 2.35 1.86 1.76 1.66 1.60 1.54 1.52 1.42 1.42 1.29 1.21 1.15 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:z P:y P:z P:y P:y P:y P:z P:z P:z P:z P:y P:y P:y P:y P:y P:y P:y P:x P:y P:x P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 19 33 21 31 29 28 38 39 41 27 40 32 26 30 18 20 31 33 21 19 39 41 40 29 38 27 26 21 28 19 31 23 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.378 2.00 616 A 3.99 3.99 3.98 3.94 3.85 3.84 3.81 3.76 2.80 2.72 2.70 2.63 2.62 2.55 2.52 2.51 2.50 2.48 2.42 2.36 2.34 2.32 2.32 2.31 1.95 1.91 1.85 1.84 1.80 1.79 1.72 1.72 1.51 1.44 1.37 1.32 1.19 1.13 1.13 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y P:y P:z P:y P:z P:y P:y P:y P:y P:z P:y P:z P:z P:z P:x P:x P:z P:z P:z P:z P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:z P:z P:z P:z P:y P:y P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 36 34 35 37 35 34 37 36 25 23 24 22 22 38 25 40 39 41 24 41 39 23 38 40 23 29 24 27 22 28 26 25 28 26 27 29 26 29 27 28 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.378 2.00 617 A 4.26 4.25 4.21 4.21 4.10 4.08 4.05 4.05 2.95 2.85 2.83 2.83 2.72 2.72 2.63 2.51 2.08 2.00 1.99 1.98 1.97 1.95 1.93 1.86 1.86 1.84 1.83 1.80 1.55 1.50 1.45 1.41 1.15 1.10 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:x P:y P:x P:y P:y P:x P:y P:y P:x P:y P:y P:x P:x P:x P:z P:x P:x P:z P:z P:z P:z P:x P:x P:z P:z P:z P:z P:z P:z P:z P:x P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 30 33 32 31 31 30 32 33 19 21 20 20 18 21 18 19 18 41 39 19 38 40 21 38 40 41 20 39 28 26 27 29 29 27 28 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -3.471 0.00 618 A 4.98 4.97 4.92 4.83 4.74 4.69 4.52 4.47 2.27 2.25 2.21 2.17 2.14 2.09 2.08 2.08 1.70 1.64 1.63 1.61 1.58 1.50 1.42 1.38 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:yz D:yz D:yz D:yz D:xz D:xz D:xz D:xz D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 6 8 7 10 9 12 11 13 9 6 8 7 12 11 13 10 7 13 9 11 8 6 10 12 W W W W W W W W W W W W W W W W W W W W W W W W -3.469 0.00 619 A 8.63 8.46 8.38 8.25 2.94 2.90 2.85 2.83 1.75 1.70 1.68 1.65 1.43 1.43 1.43 1.38 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 D:z2 D:z2 D:z2 D:z2 D:xy D:xy D:xy D:xy D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 2 3 5 4 4 5 3 2 10 12 11 13 6 7 8 9 W W W W W W W W W W W W W W W W -3.074 0.00 620 A 6.67 6.64 4.45 4.41 4.25 4.12 3.38 3.33 2.52 2.47 2.21 2.17 2.17 2.14 1.93 1.86 1.39 1.39 1.34 1.28 1.27 1.22 1.18 1.16 1.11 1.07 1.02 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 3 3 3 3 1 1 3 1 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:yz D:yz D:x2-y2 D:x2-y2 D:xz D:xz D:xz D:xz D:z2 D:z2 D:z2 P:z P:z D:yz D:z2 D:yz D:z2 P:z P:z D:z2 P:x -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 6 8 12 10 11 13 6 8 7 9 12 11 13 10 8 6 13 36 34 9 11 7 10 38 41 12 24 W W W W W W W W W W W W W W W W W O O W W W W O O W O -3.073 0.00 621 A 8.00 7.77 5.91 5.86 3.27 3.23 3.16 3.16 3.15 3.04 2.38 2.21 2.18 2.10 1.42 1.39 1.26 1.25 1.19 1.19 1.19 1.09 1.01 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 3 3 1 3 3 1 1 D:z2 D:z2 D:x2-y2 D:x2-y2 D:yz D:z2 D:xy D:z2 D:yz D:xy D:z2 D:x2-y2 D:z2 D:x2-y2 P:y P:y D:xy D:xy P:y D:yz D:yz P:y P:x -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 2 4 7 9 9 3 4 5 7 2 7 8 9 6 37 30 5 3 35 8 6 32 23 W W W W W W W W W W W W W W O O W W O W W O O -3.073 0.00 622 A 8.19 8.15 4.40 4.30 3.71 3.71 3.52 3.47 3.24 3.18 2.43 2.42 2.00 1.96 1.90 1.82 1.41 1.39 1.35 1.34 1.26 1.23 1.21 1.02 1.00 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 3 3 1 1 1 1 D:z2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:z2 D:z2 D:xy D:xy D:xz D:xz D:xz D:xz D:z2 D:z2 D:xy D:z2 P:x D:xy D:z2 P:x P:x P:x P:x -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 3 5 13 11 12 10 2 4 5 3 13 11 12 10 11 13 4 10 31 2 12 33 41 40 39 W W W W W W W W W W W W W W W W W W O W W O O O O -2.187 0.00 623 A 6.73 6.14 5.72 5.26 3.20 3.15 2.96 2.92 2.32 2.16 1.82 1.68 1.66 1.51 1.41 1.34 1.29 1.28 1.25 1.25 1.22 1.22 1.18 1.14 1.12 1.06 1.01 3 3 3 3 3 3 3 3 3 3 3 3 3 1 3 3 1 3 3 3 1 1 3 1 3 1 3 D:z2 D:z2 D:z2 D:z2 D:xy D:xy D:xy D:xy D:x2-y2 D:x2-y2 D:z2 D:x2-y2 D:x2-y2 P:y D:x2-y2 D:xz P:z D:x2-y2 D:xz D:xz P:x P:z D:x2-y2 P:y D:xz P:z D:yz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 3 2 4 5 3 4 2 5 13 7 10 12 11 34 6 13 41 10 10 12 41 34 9 24 11 36 6 W W W W W W W W W W W W W O W W O W W W O O W O W O W -2.187 0.00 624 A 5.47 5.47 5.32 5.29 3.82 3.73 3.67 3.54 3.44 3.41 2.60 2.58 2.47 2.32 1.66 1.61 1.49 1.47 1.47 1.45 1.42 1.39 1.37 1.32 1.20 1.15 1.13 1.11 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 3 1 3 1 1 3 3 1 1 1 1 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:xz D:xz D:xz D:xz D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:xy D:xy P:z D:z2 P:y D:xy P:y P:z D:xy D:z2 P:z P:y P:z P:y -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 12 10 13 11 12 11 13 10 2 5 11 4 3 12 2 5 35 13 35 4 37 37 3 10 25 25 23 23 W W W W W W W W W W W W W W W W O W O W O O W W O O O O -2.186 0.00 625 A 6.75 6.48 5.95 5.94 4.40 4.37 4.26 4.22 2.77 2.35 1.85 1.76 1.66 1.48 1.42 1.20 1.18 1.14 1.12 1.07 1.05 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 1 1 1 3 1 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:yz D:yz D:yz D:yz D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 P:z P:x P:y P:z P:z D:z2 P:x -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 8 9 6 7 8 9 7 6 7 8 6 9 4 5 38 38 32 40 28 3 32 W W W W W W W W W W W W W W O O O O O W O -2.169 0.00 626 A 5.02 5.02 4.83 4.60 4.32 4.08 3.97 3.92 3.45 3.27 3.20 3.00 1.64 1.57 1.56 1.43 1.33 1.31 1.30 1.29 1.26 1.24 1.24 1.23 1.23 1.22 1.19 1.18 1.18 1.18 1.18 1.17 1.16 1.15 1.13 1.13 1.11 1.11 1.08 1.05 1.04 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:z P:z P:x P:x P:z P:y P:y P:x P:y P:z P:x P:y P:y P:y P:x P:y P:z P:x P:x P:z P:y P:z P:x P:z D:x2-y2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 3 5 4 2 13 11 9 7 8 12 6 10 6 10 12 8 53 51 45 43 49 46 44 52 48 47 50 49 42 45 51 43 48 53 44 46 47 52 42 50 9 W W W W W W W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O W -2.158 0.00 627 A 4.30 4.09 3.88 3.87 3.72 3.52 3.06 3.03 2.95 2.94 2.94 2.92 2.91 2.90 2.81 2.78 2.57 2.03 1.98 1.94 1.92 1.91 1.77 1.49 1.46 1.02 3 3 1 1 3 3 3 3 3 3 1 1 3 3 3 3 3 3 3 1 3 1 3 3 3 3 D:xy D:yz P:y P:y D:xy D:xz D:x2-y2 D:xy D:x2-y2 D:xz 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1.01 3 3 3 1 1 3 3 3 1 3 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 D:xz D:yz D:yz P:z P:z D:xz D:yz D:xz P:z D:yz P:z D:xz D:z2 D:z2 D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:xy D:z2 D:x2-y2 D:xy D:z2 D:x2-y2 D:z2 P:x P:x -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 2 5 4 45 44 3 3 5 42 2 43 4 12 10 7 8 9 9 10 5 6 6 4 4 12 3 50 52 W W W O O W W W O W O W W W W W W W W W W W W W W W O O -1.726 0.00 633 A 12.92 12.01 6.79 5.80 3.50 2.83 2.67 2.55 2.48 2.39 2.17 2.03 1.98 1.95 1.80 1.72 1.59 1.57 1.19 1.03 3 3 3 3 3 1 1 1 3 1 3 3 3 1 1 1 1 3 3 1 D:x2-y2 D:x2-y2 D:z2 D:z2 D:z2 P:x P:x P:y D:z2 P:y D:x2-y2 D:z2 D:x2-y2 P:x P:z P:x P:z D:z2 D:x2-y2 P:y -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 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7.91 7.90 5.98 5.36 4.55 3.97 2.68 2.65 2.64 2.63 2.36 2.32 2.14 2.09 2.03 1.88 1.84 1.76 1.48 1.45 1.43 1.43 1.32 1.32 1.12 1.09 3 3 3 3 3 3 3 3 3 3 1 1 1 1 3 1 3 1 3 1 3 1 1 1 3 1 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 P:z P:z P:x P:x D:x2-y2 P:z D:x2-y2 P:z D:x2-y2 P:z D:x2-y2 P:y P:z P:y D:x2-y2 P:y -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 12 10 7 9 8 6 13 11 12 10 52 50 52 50 7 47 9 49 8 48 6 47 46 49 5 48 W W W W W W W W W W O O O O W O W O W O W O O O W O -1.634 0.00 636 A 3.59 3.57 3.46 3.38 3.37 3.29 3.26 3.23 3.23 3.20 3.17 3.10 2.61 2.48 2.41 2.37 2.37 2.34 2.33 2.32 2.31 2.31 2.30 2.17 1.15 1.03 3 3 3 3 3 1 1 1 1 3 3 3 3 3 3 3 3 3 3 1 1 1 1 3 3 3 D:yz D:xy D:xy D:xy D:yz P:y P:y P:y P:y D:yz 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1.02 3 3 3 3 3 1 1 3 1 1 1 1 1 3 1 3 4 4 3 4 3 3 4 3 3 3 3 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:xz P:y P:x D:xz P:x P:y P:x P:y P:x D:yz P:y D:yz D:x2-y2 D:x2-y2 D:yz D:x2-y2 D:yz D:xz D:x2-y2 D:xy D:xy D:xz D:xy -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 4.723 4.723 -4.382 4.723 -4.382 -4.382 4.723 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.00 0.00 0.80 0.00 0.80 0.80 0.00 0.80 0.80 0.80 0.80 2 5 3 4 7 42 43 9 45 45 44 44 42 10 43 13 2 5 11 3 12 8 4 7 9 6 11 W W W W W O O W O O O O O W O W W W W W W W W W W W W -0.717 0.00 648 A 4.08 3.83 3.78 3.58 3.26 3.09 3.04 2.84 2.30 2.18 2.11 2.09 2.09 2.04 1.96 1.81 1.56 1.54 1.38 1.35 1.28 1.28 1.07 1.04 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 1 1 1 1 1 3 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:x2-y2 D:yz D:x2-y2 D:yz D:xz D:x2-y2 D:xz D:x2-y2 P:z P:z P:z P:z P:z P:z P:x D:xy -4.382 -4.382 -4.382 -4.382 -4.382 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11 9 8 2 2 4 11 4 10 20 18 30 32 42 44 13 48 49 W W W W W W W W W W W W W W W W O O O O O O W O O -0.585 0.00 650 A 6.98 6.82 3.41 3.20 3.17 2.82 2.78 2.51 2.20 1.87 1.78 1.71 1.66 1.62 1.52 1.43 1.43 1.42 1.38 1.27 1.15 1.12 1.10 1.10 1.09 1.07 1.06 1.05 1.03 1.03 3 3 3 3 3 3 3 3 3 3 1 3 3 1 3 3 3 3 3 1 1 1 1 3 4 4 3 1 1 1 D:x2-y2 D:x2-y2 D:xz D:yz D:xz D:yz D:z2 D:z2 D:xy D:z2 P:x D:yz D:xy P:y D:z2 D:z2 D:xz D:xy D:z2 P:x P:x P:y P:z D:xy D:x2-y2 D:x2-y2 D:xy P:z P:y P:z -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 4.723 4.723 -4.382 -9.955 -9.955 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.00 0.00 0.80 1.33 1.33 1.33 5 3 6 12 7 13 11 13 6 9 22 2 12 28 7 10 2 7 12 23 46 29 30 9 5 3 13 18 52 32 W W W W W W W W W W O W W O W W W W W O O O O W W W W O O O -0.585 0.00 651 A 7.20 6.78 3.60 3.12 3.06 2.96 2.52 2.18 2.01 1.78 1.78 1.69 1.66 1.59 1.59 1.49 1.48 1.42 1.41 1.26 1.16 1.15 1.12 1.11 1.11 1.08 1.06 1.01 3 3 3 3 3 3 3 3 3 3 3 1 3 3 3 1 3 1 3 1 3 1 3 4 1 4 1 3 D:x2-y2 D:x2-y2 D:yz D:xz D:yz D:xz D:z2 D:z2 D:xy D:z2 D:z2 P:y D:xy D:xy D:z2 P:x D:xz P:y D:z2 P:x D:yz P:y D:xy D:x2-y2 P:z D:x2-y2 P:z D:xy -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 4.723 -9.955 4.723 -9.955 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.00 1.33 0.00 1.33 0.80 4 2 10 8 11 9 6 8 10 7 9 26 11 9 13 25 3 27 11 24 3 50 8 4 31 2 33 13 W W W W W W W W W W W O W W W O W O W O W O W W O W O W -0.582 0.00 652 A 3.26 3.16 2.56 2.51 2.45 2.31 2.30 2.10 2.02 1.97 1.94 1.87 1.80 1.76 1.76 1.68 1.56 1.56 1.52 1.49 1.49 1.42 1.42 1.41 1.38 1.30 1.30 1.27 1.25 1.21 1.14 1.02 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 3 3 3 3 3 1 3 3 3 3 3 3 3 3 1 D:z2 D:z2 D:yz D:yz D:z2 D:xz D:z2 D:z2 D:xz D:z2 D:xy D:xz D:x2-y2 D:xy D:xz D:x2-y2 P:z D:yz D:x2-y2 D:x2-y2 D:x2-y2 D:xy P:z D:yz D:z2 D:z2 D:xy D:xy D:x2-y2 D:x2-y2 D:x2-y2 P:z -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 10 12 5 4 8 4 6 7 5 9 7 3 12 8 2 10 20 3 6 8 9 13 21 2 13 11 11 10 7 13 11 19 W W W W W W W W W W W W W W W W O W W W W W O W W W W W W W W O -0.257 0.00 653 A 24.67 22.63 19.88 18.52 1.65 1.42 1.38 1.11 2 2 2 2 7 7 7 7 S S S S S S S S -2.897 -2.897 -2.897 -2.897 1.678 1.678 1.678 1.678 1.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 56 54 55 57 2 5 3 4 Li Li Li Li W W W W -0.224 0.00 654 A 26.50 26.21 21.21 18.02 1.29 1.17 2 2 2 2 7 7 S S S S S S -2.897 -2.897 -2.897 -2.897 1.678 1.678 1.00 1.00 1.00 1.00 0.00 0.00 55 57 54 56 3 5 Li Li Li Li W W -0.223 0.00 655 A 26.58 23.99 23.91 17.54 1.17 1.16 2 2 2 2 7 7 S S S S S S -2.897 -2.897 -2.897 -2.897 1.678 1.678 1.00 1.00 1.00 1.00 0.00 0.00 55 56 57 54 4 2 Li Li Li Li W W -0.195 0.00 656 A 29.80 24.40 22.46 18.05 2 2 2 2 S S S S -2.897 -2.897 -2.897 -2.897 1.00 1.00 1.00 1.00 54 56 57 55 Li Li Li Li -0.153 0.00 657 A 1.68 1.67 1.67 1.62 1.62 1.62 1.60 1.60 1.60 1.57 1.56 1.56 1.55 1.54 1.52 1.50 1.50 1.50 1.49 1.48 1.48 1.43 1.42 1.42 1.01 1.01 1.00 1.00 1.00 1.00 1.00 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 1 1 1 1 1 D:xz D:xy D:yz D:xz D:yz D:xz D:xy D:yz D:xy D:xy D:xz D:yz D:xy D:xz D:yz D:yz D:yz D:xy D:xz D:xz D:xy D:xy D:yz D:xz P:x P:y P:x P:z P:y P:y P:y -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 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10 6 9 13 11 7 4 5 3 2 1 1 55 57 56 54 8 12 10 9 6 13 55 57 56 11 54 7 W W W W W W W W W W W W Si Si Li Li Li Li W W W W W W Li Li Li W Li W 0.812 0.00 659 A 6.62 2.39 2.09 2.06 2.05 2.04 1.96 1.95 1.94 1.93 1.91 1.91 1.91 1.90 1.89 1.89 1.87 1.87 1.59 1.58 1.58 1.57 1.53 1.52 1.52 1.52 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 S S D:z2 D:z2 D:z2 D:z2 D:xy D:xz D:xz D:yz D:xy D:yz D:xy D:yz D:yz D:xy D:xz D:xz D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 -12.276 4.178 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 2.00 0.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1 1 2 3 4 5 2 12 10 6 3 8 4 7 9 5 11 13 13 11 7 9 6 12 8 10 Si Si W W W W W W W W W W W W W W W W W W W W W W W W 0.834 0.00 660 A 3.64 3.51 2.59 2.50 2.47 2.40 2.39 2.30 2.28 2.12 1.91 1.89 1.81 1.74 1.53 1.44 1.40 1.37 1.28 1.21 1.21 1.19 -1.19 1.14 1.10 -1.03 3 3 3 3 7 7 3 3 3 3 3 1 1 3 7 3 3 7 3 3 3 3 2 3 3 3 D:xz D:xz D:xz D:xz S S D:xz D:yz D:yz D:xz D:xz P:y P:y D:xz S D:xz D:xz S D:x2-y2 D:x2-y2 D:xz D:xz P:y D:x2-y2 D:x2-y2 P:y -4.382 -4.382 -4.382 -4.382 1.678 1.678 -4.382 -4.382 -4.382 -4.382 -4.382 -0.446 -0.446 -4.382 1.678 -4.382 -4.382 1.678 -4.382 -4.382 -4.382 -4.382 -3.913 -4.382 -4.382 2.299 0.80 0.80 0.80 0.80 0.00 0.00 0.80 0.80 0.80 0.80 0.80 0.00 0.00 0.80 0.00 0.80 0.80 0.00 0.80 0.80 0.80 0.80 0.67 0.80 0.80 0.00 4 2 7 9 3 5 6 4 2 8 11 55 54 10 6 5 3 7 11 13 13 12 1 12 10 1 W W W W W W W W W W W Li Li W W W W W W W W W Si W W Si 0.835 0.00 661 A 3.60 3.56 2.65 2.55 2.40 2.38 2.36 2.31 2.25 2.23 1.93 1.83 1.83 1.70 1.48 1.46 1.41 1.39 1.29 1.23 1.22 -1.19 1.19 1.15 1.07 -1.03 1.00 3 3 3 7 3 7 3 3 3 3 1 3 3 1 7 3 7 3 3 3 3 2 3 3 3 3 6 D:yz D:yz D:yz S D:yz S D:yz D:xz D:xz D:yz P:x D:yz D:yz P:x S D:yz S D:yz D:x2-y2 D:x2-y2 D:yz P:x D:yz D:x2-y2 D:x2-y2 P:x S 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2.50 2.41 2.37 -2.19 1.98 1.90 1.68 1.60 1.57 1.49 1.38 1.24 1.24 1.19 1.11 1.08 1.04 7 7 3 6 6 1 7 1 7 7 3 7 6 6 6 1 6 2 7 1 7 7 2 6 2 6 7 3 3 3 3 S S P:x S S P:x S P:x S S P:y S S S S P:y S P:x S P:y S S S S S S S S S D:yz D:yz 1.678 1.678 2.299 -6.463 -6.463 -0.446 1.678 -0.446 1.678 1.678 2.299 1.678 -6.463 -6.463 -6.463 -0.446 -6.463 -3.913 1.678 -0.446 1.678 1.678 -2.897 -6.463 -2.897 -6.463 1.678 1.008 1.008 -4.382 -4.382 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 0.00 2.00 0.67 0.00 0.00 0.00 0.00 1.00 2.00 1.00 2.00 0.00 0.00 0.00 0.80 0.80 3 5 1 3 5 57 11 56 10 13 1 12 11 10 13 55 12 1 8 54 9 6 57 8 56 9 7 57 56 4 2 W W Si W W Li W Li W W Si W W W W Li W Si W Li W W Li W Li W W Li Li W W 0.926 0.00 664 A 13.10 12.97 -9.95 8.88 8.67 5.06 5.00 4.64 4.42 -4.10 4.01 3.69 3.49 2.85 2.67 2.50 2.22 2.20 -2.19 1.70 1.63 1.60 1.55 1.51 1.39 1.22 1.18 1.18 1.10 1.06 1.06 7 7 3 6 6 1 7 1 7 3 7 7 6 6 6 1 6 7 2 1 7 6 7 2 2 7 6 3 3 3 3 S S P:y S S P:y S P:y 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14.62 10.33 8.63 3.56 3.21 3.08 2.93 1.47 1.44 1.35 1.34 1.32 1.19 1.13 1.12 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 P:x P:y P:y P:x P:z P:z P:z P:z D:xz D:yz D:xz D:yz D:yz D:xz D:xz D:yz -0.446 -0.446 -0.446 -0.446 -0.446 -0.446 -0.446 -0.446 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 54 56 57 55 54 56 55 57 3 4 2 5 2 4 5 3 Li Li Li Li Li Li Li Li W W W W W W W W 1.693 0.00 677 A 12.21 10.28 9.91 9.50 4.57 4.42 2.12 2.11 1.94 1.91 1.90 1.85 1.81 1.78 1.75 1.73 1.56 1.49 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 1 1 P:x P:y P:y P:x P:z P:z D:xz D:xz D:yz D:yz D:xz D:xz D:xz D:xz D:yz D:yz P:z P:z -0.446 -0.446 -0.446 -0.446 -0.446 -0.446 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -0.446 -0.446 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.00 55 57 56 54 56 57 5 4 4 5 3 11 13 2 2 3 54 55 Li Li Li Li Li Li W W W W W W W W W W Li Li 1.698 0.00 678 A 13.17 12.00 9.65 9.53 3.43 3.24 2.54 2.50 1.99 1.37 1.34 1.30 1.29 1.28 -1.14 1.10 1.06 1.04 1.01 1 1 1 1 3 3 3 3 3 3 1 3 3 3 2 3 5 3 5 P:z P:z P:z P:z D:yz D:yz D:xz D:xz P:z D:yz P:y D:x2-y2 D:x2-y2 D:yz P:z D:x2-y2 P:z D:x2-y2 P:z -0.446 -0.446 -0.446 -0.446 -4.382 -4.382 -4.382 -4.382 2.299 -4.382 -0.446 -4.382 -4.382 -4.382 -3.913 -4.382 0.094 -4.382 0.094 0.00 0.00 0.00 0.00 0.80 0.80 0.80 0.80 0.00 0.80 0.00 0.80 0.80 0.80 0.67 0.80 0.00 0.80 0.00 55 54 56 57 7 9 11 13 1 6 57 7 9 8 1 11 9 13 7 Li Li Li Li W W W W Si W Li W W W Si W W W W 1.724 0.00 679 A 9.98 9.00 6.32 5.79 2.88 2.70 2.43 2.33 -2.01 1.56 1.50 1.33 1.27 1.27 1.25 1.24 1.23 1.21 1.18 1.13 1.12 1.11 1.11 1.10 1.10 1.09 1.06 1.04 1.03 1 1 3 3 3 3 1 3 2 3 3 3 1 5 3 3 5 3 3 7 3 5 1 3 1 3 5 1 1 P:y P:y D:yz D:yz D:yz D:yz P:y S P:y D:xy S D:x2-y2 P:y P:z D:xy D:xy P:z D:yz D:x2-y2 S D:xy P:y P:y D:xy P:z D:yz P:y P:y P:z -0.446 -0.446 -4.382 -4.382 -4.382 -4.382 -0.446 1.008 -3.913 -4.382 1.008 -4.382 -0.446 0.094 -4.382 -4.382 0.094 -4.382 -4.382 1.678 -4.382 0.094 -9.955 -4.382 -9.955 -4.382 0.094 -9.955 -9.955 0.00 0.00 0.80 0.80 0.80 0.80 0.00 0.00 0.67 0.80 0.00 0.80 0.00 0.00 0.80 0.80 0.00 0.80 0.80 0.00 0.80 0.00 1.33 0.80 1.33 0.80 0.00 1.33 1.33 56 57 8 6 9 7 55 55 1 6 54 6 54 6 7 5 8 12 8 8 9 6 48 3 48 11 8 46 46 Li Li W W W W Li Li Si W Li W Li W W W W W W W W W O W O W W O O 1.725 0.00 680 A 10.46 8.19 6.99 6.84 2.16 2.01 1.97 1.97 -1.92 1.61 1.52 1.50 1.46 1.41 1.36 1.35 1.29 1.27 1.27 1.24 1.23 1.23 1.22 1.22 1.21 1.18 1.16 1.09 1.06 1.04 1.03 1.01 1.00 1 1 3 3 3 1 3 3 2 3 3 5 5 1 3 3 1 3 3 5 1 1 3 3 5 3 1 3 7 7 3 3 3 P:x P:x D:xz D:xz D:xz P:x S D:xz P:x S D:x2-y2 P:z P:z P:x D:x2-y2 D:xz P:z D:xz D:xy P:x P:z P:x D:xy D:xy P:x D:xy P:x D:xy S S D:xy D:xz D:z2 -0.446 -0.446 -4.382 -4.382 -4.382 -0.446 1.008 -4.382 -3.913 1.008 -4.382 0.094 0.094 -0.446 -4.382 -4.382 -9.955 -4.382 -4.382 0.094 -9.955 -9.955 -4.382 -4.382 0.094 -4.382 -9.955 -4.382 1.678 1.678 -4.382 -4.382 -4.382 0.00 0.00 0.80 0.80 0.80 0.00 0.00 0.80 0.67 0.00 0.80 0.00 0.00 0.00 0.80 0.80 1.33 0.80 0.80 0.00 1.33 1.33 0.80 0.80 0.00 0.80 1.33 0.80 0.00 0.00 0.80 0.80 0.80 54 55 12 10 13 57 57 11 1 56 10 12 10 56 12 6 52 9 11 12 50 52 2 12 10 10 50 4 12 10 13 3 10 Li Li W W W Li Li W Si Li W W W Li W W O W W W O O W W W W O W W W W W W 1.761 0.00 681 A 13.14 12.73 10.52 9.52 2.73 2.52 2.50 2.31 1.39 1.24 1.20 1.14 1.12 1.12 1 1 1 1 3 3 3 3 3 3 3 3 3 3 P:z P:z P:z P:z D:xz D:yz D:xz D:yz D:yz D:yz D:xz D:xz D:xz D:yz -0.446 -0.446 -0.446 -0.446 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.00 0.00 0.00 0.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 55 57 56 54 13 7 11 9 8 6 10 7 12 13 Li Li Li Li W W W W W W W W W W 1.768 0.00 682 A 7.80 5.67 5.66 4.54 3.83 3.78 3.36 2.79 2.68 2.65 2.62 2.58 2.50 2.46 2.43 2.38 2.35 2.35 2.32 2.30 2.20 2.15 2.11 1.92 1 1 1 3 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 P:y P:x P:x S P:y S S D:xy S D:xz D:yz D:xy D:yz D:xy D:xz D:xy D:xy D:xy D:xy D:yz D:xz D:xz D:yz D:xy -0.446 -0.446 -0.446 1.008 -0.446 1.008 1.008 -4.382 1.008 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 55 57 56 55 54 56 57 8 54 8 10 10 11 7 9 11 12 13 6 12 6 7 13 9 Li Li Li Li Li Li Li W Li W W W W W W W W W W W W W W W 1.786 0.00 683 A 5.18 5.06 4.84 4.82 4.71 4.47 4.41 4.20 3.21 3.07 1.60 1.54 1.49 1.46 1.41 1.38 1.35 1.26 1.13 1.13 1.13 1.12 1.12 1.11 1.09 1.08 1.05 1.04 1.03 1.03 3 3 3 3 3 3 3 3 1 1 1 3 3 3 3 3 1 3 3 3 3 3 3 3 3 3 3 3 3 3 D:yz D:yz D:xz D:xz D:xz D:yz D:xz D:yz P:y P:x P:x D:xy D:xy D:xy D:xy S P:y S D:xz D:xy D:yz D:yz D:xz D:xy D:yz D:xy D:xy D:yz D:xz D:xz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -0.446 -0.446 -0.446 -4.382 -4.382 -4.382 -4.382 1.008 -0.446 1.008 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.00 0.00 0.80 0.80 0.80 0.80 0.00 0.00 0.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 4 5 5 3 2 2 4 3 55 56 57 12 10 7 8 55 54 56 8 11 11 13 7 9 12 6 13 10 9 6 W W W W W W W W Li Li Li W W W W Li Li Li W W W W W W W W W W W W 1.794 0.00 684 A 17.33 16.56 8.62 8.46 5.31 2.67 2.08 -2.05 1.75 1.70 1.54 1.29 1.28 1.25 1.19 1.11 1 1 3 3 1 1 1 3 1 6 6 2 3 6 6 3 P:x P:x S S P:z P:x P:z P:x P:x S S P:x D:xy S S D:xy -0.446 -0.446 1.008 1.008 -0.446 -0.446 -0.446 2.299 -0.446 -6.463 -6.463 -3.913 -4.382 -6.463 -6.463 -4.382 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.67 0.80 2.00 2.00 0.80 57 56 56 57 54 55 55 1 54 11 10 1 2 12 13 4 Li Li Li Li Li Li Li Si Li W W Si W W W W 1.795 0.00 685 A 20.28 14.09 9.72 7.42 4.69 2.32 2.20 -2.05 1.77 1.63 1.44 1.38 1.36 1.30 1.26 1.25 1.23 1 1 3 3 1 1 1 3 6 1 6 6 3 2 1 3 6 P:y P:y S S P:z P:y P:z P:y S P:y S S D:xy P:y P:x D:xy S -0.446 -0.446 1.008 1.008 -0.446 -0.446 -0.446 2.299 -6.463 -0.446 -6.463 -6.463 -4.382 -3.913 -0.446 -4.382 -6.463 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 2.00 0.80 0.67 0.00 0.80 2.00 54 55 54 55 56 56 57 1 6 57 9 7 3 1 57 5 8 Li Li Li Li Li Li Li Si W Li W W W Si Li W W 1.855 0.00 686 A 23.11 20.26 8.62 7.36 3.70 3.69 2.83 2.82 2.78 2.56 2.13 1.95 1.72 1.63 1.11 1 1 1 1 6 7 6 7 6 7 6 7 7 6 7 P:z P:z P:z P:z S S S S S S S S S S S -0.446 -0.446 -0.446 -0.446 -6.463 1.678 -6.463 1.678 -6.463 1.678 -6.463 1.678 1.678 -6.463 1.678 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 2.00 0.00 2.00 0.00 0.00 2.00 0.00 57 56 55 54 10 10 11 11 12 12 13 13 8 8 9 Li Li Li Li W W W W W W W W W W W 1.856 0.00 687 A 22.44 19.63 8.43 6.46 3.32 3.27 3.27 3.24 2.48 2.31 2.24 2.15 1.72 1.42 1.41 1.39 1.37 1.36 1.25 1.18 1 1 1 1 6 7 6 7 6 6 7 7 1 3 7 7 1 6 6 3 P:z P:z P:z P:z S S S S S S S S P:y S S S P:x S S S -0.446 -0.446 -0.446 -0.446 -6.463 1.678 -6.463 1.678 -6.463 -6.463 1.678 1.678 -0.446 1.008 1.678 1.678 -0.446 -6.463 -6.463 1.008 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 54 55 56 57 7 6 6 7 9 8 9 8 55 55 13 12 57 13 12 57 Li Li Li Li W W W W W W W W Li Li W W Li W W Li 1.914 0.00 688 A 10.07 9.76 8.88 8.02 2.41 2.12 1.98 1.81 1.75 1.73 1.68 1.66 1.62 1.53 1.42 1.41 1.39 1.36 1.27 1.19 1.18 1.15 1.14 1.14 1.11 1.11 1.11 1.10 1.08 1.05 1.03 3 3 3 3 6 7 1 3 1 1 3 3 3 6 3 3 1 3 3 7 7 3 3 6 6 7 3 6 3 3 3 S S S S S S P:y D:yz P:x P:x D:xz D:yz D:xz S D:yz D:xz P:y D:xz D:yz S S D:xy D:xy S S S D:xy S D:xy D:xy D:xy 1.008 1.008 1.008 1.008 -6.463 1.678 -0.446 -4.382 -0.446 -0.446 -4.382 -4.382 -4.382 -6.463 -4.382 -4.382 -0.446 -4.382 -4.382 1.678 1.678 -4.382 -4.382 -6.463 -6.463 1.678 -4.382 -6.463 -4.382 -4.382 -4.382 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.80 0.00 0.00 0.80 0.80 0.80 2.00 0.80 0.80 0.00 0.80 0.80 0.00 0.00 0.80 0.80 2.00 2.00 0.00 0.80 2.00 0.80 0.80 0.80 54 56 57 55 4 4 54 13 57 56 7 11 9 2 12 6 55 8 10 7 2 11 9 3 5 13 13 7 8 7 10 Li Li Li Li W W Li W Li Li W W W W W W Li W W W W W W W W W W W W W W 1.956 0.00 689 A 16.29 15.46 13.97 13.93 5.39 5.15 4.98 4.13 4.04 3.89 3.79 2.95 1.17 1 1 1 1 6 6 6 7 7 6 7 7 3 P:x P:y P:y P:x S S S S S S S S S -0.446 -0.446 -0.446 -0.446 -6.463 -6.463 -6.463 1.678 1.678 -6.463 1.678 1.678 1.008 0.00 0.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 55 57 56 54 5 4 3 5 4 2 3 2 57 Li Li Li Li W W W W W W W W Li