response tensor, two B(C)3, Si22B2C10N8O30H33 modify from 513/605/606 1.0 10.16000000 0.00000000 0.00000000 0.00000000 10.16000000 0.00000000 0.00000000 0.00000000 10.16000000 C O Si N B H 10 30 22 8 2 32 Direct 0.50617228 0.64762792 0.84369286 # 1 C4 0.83583797 0.53321786 0.79968929 # 2 C9 0.51185978 0.41937649 0.69873121 # 3 C7 0.86568041 0.04903905 0.32120978 # 4 C5 0.63037505 0.63615690 0.60123505 # 5 C10 0.12499263 0.38268419 0.02522191 # 6 C2 0.88972519 0.02449839 0.75076826 # 7 C3 0.15389418 0.45431564 0.38910214 # 8 C 0.41835921 0.49428105 0.37957287 # 9 C6 0.29665599 0.29593254 0.53344429 # 10 C8 0.62471163 0.67425057 0.92247698 # 11 O2 0.50954426 0.43353093 0.10767229 # 12 O2 0.27430106 0.10511474 0.34287218 # 13 O1 0.23526849 0.12622198 0.07808200 # 14 O2 0.63287839 0.94262078 0.94230729 # 15 O3 0.35345024 0.30914763 0.92167328 # 16 O1 0.58926631 0.78928212 0.15026894 # 17 O1 0.42087797 0.03520494 0.83133892 # 18 O1 0.47687347 0.11887242 0.07187772 # 19 O2 0.82054972 0.75343338 0.30718595 # 20 O2 0.62067152 0.19826736 0.86361756 # 21 O1 0.54214448 0.14366578 0.62650992 # 22 O2 0.05619906 0.66028067 0.91202213 # 23 O1 0.13243854 0.15256091 0.84797807 # 24 O1 0.70542608 0.89233733 0.48966564 # 25 O 0.87435204 0.65505816 0.73888345 # 26 O1 0.09248897 0.78225536 0.12681160 # 27 O2 0.74851193 0.29567396 0.65210659 # 28 O1 0.91198743 0.28273286 0.85131913 # 29 O2 0.69264424 0.51458995 0.27679673 # 30 O2 0.48893797 0.78716250 0.39816011 # 31 O1 0.52210405 0.87459577 0.65706475 # 32 O2 0.95422489 0.86055060 0.50842276 # 33 O2 0.34409660 0.87053057 0.19599827 # 34 O1 0.55848776 0.00827124 0.28578016 # 35 O2 0.09481440 0.59924711 0.63051757 # 36 O1 0.98444465 0.37184267 0.60512632 # 37 O2 0.90684870 0.54546308 0.42421979 # 38 O1 0.92056730 0.58157645 0.14876347 # 39 O4 0.95223453 0.09086822 0.02986388 # 40 O2 0.38160000 0.44764944 0.00932780 # 41 Si1 0.21263668 0.78327261 0.23512891 # 42 Si1 0.66981769 0.80075661 0.00965879 # 43 Si1 0.23466042 0.12844675 0.49983701 # 44 Si1 0.54938230 0.43175988 0.26570506 # 45 Si1 0.54029527 0.07366186 0.93286324 # 46 Si1 0.03378180 0.49939157 0.51553678 # 47 Si1 0.45177059 0.01691046 0.67352262 # 48 Si1 0.21340216 0.23528103 0.96299636 # 49 Si1 0.97160848 0.13393798 0.87305941 # 50 Si1 0.83667925 0.88450135 0.39849980 # 51 Si1 0.57439598 0.14240284 0.19906949 # 52 Si1 0.97416630 0.70321747 0.05065493 # 53 Si1 0.87299393 0.37009968 0.72184431 # 54 Si1 0.60423876 0.26432004 0.71649752 # 55 Si1 0.17168624 0.10055454 0.22068716 # 56 Si 0.58353620 0.79619170 0.53099956 # 57 Si1 0.00685696 0.95973291 0.62632026 # 58 Si1 0.49497404 0.86428692 0.25611102 # 59 Si1 0.03375676 0.69108876 0.75117699 # 60 Si1 0.83284480 0.59410130 0.28849996 # 61 Si1 0.87157966 0.14566254 0.16451791 # 62 Si1 0.40051120 0.58796510 0.91668339 # 63 N2 0.84081871 0.80338022 0.01985547 # 64 N6 0.31741433 0.00762153 0.58056599 # 65 N7 0.09661589 0.84626627 0.72142709 # 66 N5 0.56010707 0.26782646 0.30833709 # 67 N4 0.71559814 0.16468839 0.11274479 # 68 N3 0.07472759 0.09588216 0.54723441 # 69 N1 0.23348724 0.45399764 0.08804888 # 70 N8 0.55434089 0.56607592 0.71571150 # 71 B2 0.29512241 0.41077960 0.42875165 # 72 B 0.32359229 0.65033290 0.93259479 # 73 H1 0.87133821 0.89984817 0.01558450 # 74 H3 0.26945577 0.91946259 0.58976357 # 75 H6 0.13704767 0.88838552 0.80372155 # 76 H10 0.51657060 0.24357340 0.39544988 # 77 H15 0.70584168 0.22709597 0.03421380 # 78 H21 0.02086689 0.18004435 0.56185690 # 79 H28 0.20704528 0.53181276 0.14464649 # 80 H36 0.78803196 0.10810082 0.37104904 # 81 H19 0.07939597 0.43863446 0.94466292 # 82 H30 0.81113968 0.08357940 0.70611378 # 83 H42 0.47553926 0.52428056 0.46658142 # 84 H55 0.95544772 0.07925699 0.37425909 # 85 H33 0.04662021 0.36061417 0.09602318 # 86 H51 0.84231187 0.94003044 0.79877576 # 87 H70 0.38405487 0.58796237 0.33897187 # 88 H90 0.46947896 0.74329124 0.80956265 # 89 H23 0.72931766 0.53831571 0.81771715 # 90 H47 0.26399716 0.64829098 0.23541249 # 91 H72 0.10213674 0.97364028 0.22249127 # 92 H125 0.91697236 0.28072216 0.19657861 # 93 H153 0.16359619 0.81534200 0.36840666 # 94 H29 0.07621679 0.20636761 0.24828571 # 95 H59 0.10305545 0.37117703 0.34046832 # 96 H31 0.24526062 0.33167634 0.62228523 # 97 H62 0.14952512 0.53631012 0.31949712 # 98 H32 0.39588590 0.27046044 0.56499330 # 99 H65 0.41447497 0.40368991 0.74220703 # 100 H35 0.50073221 0.41018259 0.59145948 # 101 H37 0.87566082 0.52469651 0.90007038 # 102 H38 0.72086434 0.67571060 0.64879898 # 103 H39 0.66552863 0.56754326 0.52552276 # 104 H40