structure opt. KC3P (Si6CO11H2)12 SI 33.3% C 5.6% O 61.1%
1.0
14.38000000 0.00000000 0.00000000
0.00000000 14.38000000 0.00000000
0.00000000 0.00000000 14.38000000
Si O C H
72 132 12 24
Direct
0.11715664 0.10310272 0.00432105 # 1 Si1
0.27787651 0.05697703 0.37683733 # 2 Si2
0.05024628 0.27401351 0.12623921 # 3 Si3
0.21453032 0.22660407 0.25441566 # 4 Si4
0.11151579 0.10519683 0.50387872 # 5 Si5
0.28302482 0.06069172 0.87872018 # 6 Si6
0.04952373 0.27001763 0.63104715 # 7 Si7
0.21763756 0.22740673 0.75577395 # 8 Si8
0.11656128 0.43825308 0.00149229 # 9 Si9
0.28093815 0.39145433 0.37923852 # 10 Si10
0.05453389 0.60578294 0.12431482 # 11 Si11
0.21588737 0.55762807 0.25479547 # 12 Si12
0.11275831 0.43699488 0.50750546 # 13 Si13
0.28159866 0.39378997 0.87813634 # 14 Si14
0.04908756 0.60596621 0.63107469 # 15 Si15
0.21748352 0.56422668 0.75454959 # 16 Si16
0.12049208 0.77102280 0.00072377 # 17 Si17
0.27580471 0.72340688 0.37757868 # 18 Si18
0.05017764 0.93721338 0.12696264 # 19 Si19
0.21248344 0.88939372 0.25499637 # 20 Si20
0.11033977 0.77168897 0.50627568 # 21 Si21
0.28534156 0.72986825 0.87616883 # 22 Si22
0.04946058 0.93892530 0.62955800 # 23 Si23
0.21822286 0.89579586 0.75341328 # 24 Si24
0.44626929 0.10179099 0.00613722 # 25 Si25
0.61679946 0.07416642 0.37556924 # 26 Si26
0.38452896 0.26909915 0.12751074 # 27 Si27
0.55405089 0.23757496 0.25034378 # 28 Si28
0.44373529 0.10522070 0.50246397 # 29 Si29
0.61324050 0.06269017 0.88079375 # 30 Si30
0.38196879 0.27060590 0.62944798 # 31 Si31
0.54870299 0.23071024 0.75767381 # 32 Si32
0.44704794 0.43755535 0.00263638 # 33 Si33
0.61601905 0.40175946 0.37831952 # 34 Si34
0.38451096 0.60233518 0.12748881 # 35 Si35
0.55560806 0.56533996 0.25262226 # 36 Si36
0.44770155 0.43838717 0.50405810 # 37 Si37
0.61343433 0.39876426 0.87836040 # 38 Si38
0.38372681 0.60630742 0.62821419 # 39 Si39
0.54988063 0.56595103 0.75488612 # 40 Si40
0.44961174 0.77098591 0.00305225 # 41 Si41
0.61259508 0.73189645 0.37617063 # 42 Si42
0.37966197 0.93308557 0.12844444 # 43 Si43
0.54799711 0.89186008 0.24281413 # 44 Si44
0.44591861 0.77186750 0.50212845 # 45 Si45
0.61682257 0.73158468 0.87793177 # 46 Si46
0.38303152 0.93811908 0.62699361 # 47 Si47
0.54971048 0.89780024 0.75528958 # 48 Si48
0.78104300 0.10698283 0.00298323 # 49 Si49
0.94346692 0.06980848 0.37587246 # 50 Si50
0.71745158 0.28029291 0.12234842 # 51 Si51
0.88228122 0.23754426 0.24953936 # 52 Si52
0.77760142 0.10881595 0.50778374 # 53 Si53
0.95025760 0.05616577 0.88094927 # 54 Si54
0.71498274 0.27230691 0.63451236 # 55 Si55
0.88265472 0.22418744 0.75884256 # 56 Si56
0.78240169 0.44426143 0.00066821 # 57 Si57
0.94517674 0.40175321 0.37952753 # 58 Si58
0.71994319 0.61026657 0.12237667 # 59 Si59
0.88377721 0.56980972 0.25116857 # 60 Si60
0.77930929 0.43856771 0.50898073 # 61 Si61
0.94895228 0.39163822 0.87814864 # 62 Si62
0.71497704 0.60694057 0.63166403 # 63 Si63
0.88207435 0.56026666 0.75555184 # 64 Si64
0.78823006 0.77415963 0.99873755 # 65 Si65
0.94104890 0.73546885 0.37845818 # 66 Si66
0.71473719 0.93840102 0.11854824 # 67 Si67
0.88228302 0.90197715 0.25098974 # 68 Si68
0.77706103 0.77385693 0.50628203 # 69 Si69
0.95378454 0.72484523 0.87576345 # 70 Si70
0.71580545 0.94011911 0.63168266 # 71 Si71
0.88383713 0.89203851 0.75607076 # 72 Si72
0.12888053 0.04113852 0.11834362 # 73 O1
0.03914093 0.20887574 0.01308638 # 74 O3
0.20818013 0.28311173 0.37181574 # 75 O4
0.26739828 0.30851817 0.16956633 # 76 O5
0.09464664 0.19517403 0.21734982 # 77 O6
0.22883523 0.14071308 0.46249473 # 78 O7
0.05792390 0.02522546 0.41783948 # 79 O8
0.12462903 0.04505116 0.61887598 # 80 O9
0.29528467 0.12252406 0.76484018 # 81 O10
0.03826705 0.21253023 0.51489517 # 82 O11
0.20554999 0.28772678 0.87020114 # 83 O12
0.26663818 0.31017050 0.67022925 # 84 O13
0.10085961 0.18776348 0.71615105 # 85 O14
0.23412022 0.14174606 0.96630309 # 86 O15
0.06950659 0.02149808 0.91618682 # 87 O16
0.12890094 0.37709387 0.11543682 # 88 O17
0.28962788 0.45031203 0.26335481 # 89 O18
0.03997926 0.54376612 0.01100514 # 90 O19
0.20248754 0.61607450 0.37015988 # 91 O20
0.26844364 0.64112332 0.17108048 # 92 O21
0.09915691 0.52292454 0.21249419 # 93 O22
0.23095819 0.47331027 0.46678326 # 94 O23
0.05951856 0.35644567 0.42159569 # 95 O24
0.12400364 0.37709927 0.62278735 # 96 O25
0.03834750 0.54386267 0.51692716 # 97 O27
0.20913563 0.62412930 0.86920763 # 98 O28
0.26702473 0.64570233 0.66748666 # 99 O29
0.09940852 0.52729986 0.71871599 # 100 O30
0.23332626 0.47609073 0.96400045 # 101 O31
0.06844193 0.35726078 0.91344670 # 102 O32
0.13527758 0.70731722 0.11332883 # 103 O33
0.28483935 0.78150735 0.26189459 # 104 O34
0.04050547 0.87484721 0.01234479 # 105 O35
0.20481743 0.94884735 0.37131058 # 106 O36
0.26205400 0.96990521 0.16729235 # 107 O37
0.09399548 0.85605550 0.21728093 # 108 O38
0.22755027 0.80654340 0.46419069 # 109 O39
0.12296130 0.71320721 0.62134514 # 110 O41
0.29507276 0.78999807 0.76131398 # 111 O42
0.03650933 0.87902541 0.51521803 # 112 O43
0.20655122 0.95527781 0.86849529 # 113 O44
0.26739673 0.97833639 0.66766610 # 114 O45
0.10092119 0.85721685 0.71493145 # 115 O46
0.23634143 0.81184947 0.96232283 # 116 O47
0.07338904 0.69041327 0.91091521 # 117 O48
0.45537780 0.03998973 0.12092120 # 118 O49
0.63983944 0.14147019 0.26761938 # 119 O50
0.36972806 0.20710931 0.01456875 # 120 O51
0.53448536 0.30251791 0.36074362 # 121 O52
0.59853642 0.31606237 0.15907808 # 122 O53
0.44014507 0.18899887 0.21219701 # 123 O54
0.39746563 0.02402078 0.41310924 # 124 O56
0.46087368 0.04195367 0.61447955 # 125 O57
0.62544752 0.12574974 0.76737161 # 126 O58
0.36397397 0.20708165 0.51665500 # 127 O59
0.53711737 0.29206834 0.87102539 # 128 O60
0.59895200 0.31257498 0.67275742 # 129 O61
0.43191190 0.19069621 0.71742619 # 130 O62
0.56368016 0.14100695 0.97000026 # 131 O63
0.39941252 0.02175068 0.91752541 # 132 O64
0.46097606 0.37465200 0.11546308 # 133 O65
0.63728817 0.46580989 0.26764555 # 134 O66
0.36878809 0.54171273 0.01395875 # 135 O67
0.53681643 0.62769695 0.36482792 # 136 O68
0.60228824 0.64660534 0.16349735 # 137 O69
0.56435874 0.48121758 0.46557396 # 138 O71
0.40026461 0.35719132 0.41575878 # 139 O72
0.46095301 0.37525390 0.61717177 # 140 O73
0.62470284 0.45936864 0.76348933 # 141 O74
0.36872029 0.54178732 0.51565290 # 142 O75
0.53980182 0.62612712 0.86930153 # 143 O76
0.59913471 0.64720520 0.66873815 # 144 O77
0.43339993 0.52787952 0.71651087 # 145 O78
0.56334382 0.47916436 0.96458939 # 146 O79
0.39924464 0.35672642 0.91514698 # 147 O80
0.46141060 0.70810880 0.11664347 # 148 O81
0.62774743 0.78997689 0.26094315 # 149 O82
0.37039879 0.87439093 0.01331578 # 150 O83
0.59108546 0.96259718 0.14473241 # 151 O85
0.43029049 0.85161554 0.21392508 # 152 O86
0.56098129 0.81395334 0.46082529 # 153 O87
0.46131635 0.71101924 0.61559526 # 154 O89
0.62690306 0.79304624 0.76376090 # 155 O90
0.36716161 0.87517115 0.51387174 # 156 O91
0.53707504 0.95677524 0.87001668 # 157 O92
0.60006470 0.98090378 0.67121615 # 158 O93
0.43305171 0.85799297 0.71465338 # 159 O94
0.56720115 0.81174169 0.96608184 # 160 O95
0.40276864 0.69162431 0.91398691 # 161 O96
0.78023907 0.05125074 0.11966483 # 162 O97
0.96043917 0.13275908 0.26311193 # 163 O98
0.86480434 0.30051604 0.36233958 # 164 O100
0.93360227 0.31661260 0.16191569 # 165 O101
0.76677512 0.19776325 0.20819639 # 166 O102
0.72823812 0.02934355 0.42123339 # 167 O104
0.79491758 0.04441800 0.61983135 # 168 O105
0.95694207 0.11666739 0.76543640 # 169 O106
0.69942606 0.21145026 0.52143997 # 170 O107
0.87536474 0.28415069 0.87444808 # 171 O108
0.93141644 0.30550375 0.67084400 # 172 O109
0.76325471 0.18979473 0.72224803 # 173 O110
0.90286469 0.13616388 0.97042738 # 174 O111
0.73089251 0.02496349 0.91748779 # 175 O112
0.79068786 0.38701924 0.11649434 # 176 O113
0.96454465 0.46754512 0.26845775 # 177 O114
0.70968089 0.55260172 0.00676158 # 178 O115
0.86073734 0.63432142 0.36159909 # 179 O116
0.77132057 0.52652014 0.20569403 # 180 O118
0.89534079 0.48023390 0.46854134 # 181 O119
0.72903638 0.35692775 0.42258765 # 182 O120
0.79351399 0.37676525 0.62309314 # 183 O121
0.70124294 0.54270361 0.51935224 # 184 O123
0.87929821 0.61780619 0.87181417 # 185 O124
0.93082435 0.64188284 0.66855729 # 186 O125
0.76171330 0.52788418 0.72188734 # 187 O
0.90153019 0.47632602 0.96325891 # 188 O127
0.73138361 0.36203695 0.91582068 # 189 O128
0.79470297 0.71663156 0.11489340 # 190 O129
0.96209485 0.79995062 0.26777392 # 191 O130
0.71866575 0.88353405 0.00168403 # 192 O131
0.86323001 0.96789321 0.36189539 # 193 O132
0.93297489 0.97939332 0.16177159 # 194 O133
0.89199866 0.81538223 0.46606791 # 195 O135
0.72824215 0.69259268 0.41872598 # 196 O136
0.79286852 0.71128943 0.61950768 # 197 O137
0.95813598 0.78407630 0.75979613 # 198 O138
0.69943902 0.87783434 0.51857336 # 199 O139
0.87694986 0.94844413 0.87333953 # 200 O140
0.93251773 0.97587302 0.67073387 # 201 O141
0.76425611 0.85803847 0.71937267 # 202 O142
0.90756178 0.80621251 0.96262832 # 203 O143
0.73567375 0.69280079 0.91378451 # 204 O144
0.28437577 0.11448056 0.25830896 # 205 C6
0.29235432 0.45450595 0.76177318 # 206 C
0.05528501 0.68851716 0.42177561 # 207 C10
0.55929487 0.15247814 0.46369297 # 208 C1
0.43995400 0.51872812 0.21202268 # 209 C11
0.54249623 0.97062753 0.34709604 # 210 C12
0.39625032 0.68724172 0.41471873 # 211 C8
0.71160626 0.22051035 0.00408164 # 212 C2
0.89309815 0.15272519 0.46422946 # 213 C7
0.93770616 0.65146867 0.16343909 # 214 C3
0.95381734 0.44869743 0.75919990 # 215 C9
0.76575018 0.85747599 0.20887818 # 216 C5
0.25661018 0.06706742 0.20658750 # 217 H1
0.27130166 0.40719365 0.70729260 # 218 H3
0.04302289 0.62314302 0.45618540 # 219 H6
0.54853473 0.22066401 0.43267424 # 220 H10
0.45086999 0.45281716 0.17796105 # 221 H15
0.52006778 0.01869717 0.29269757 # 222 H21
0.39291855 0.61851114 0.44584997 # 223 H28
0.74021314 0.26653668 0.95189741 # 224 H36
0.88299702 0.22030305 0.43182583 # 225 H45
0.94708388 0.71950453 0.19507620 # 226 H55
0.92653369 0.40090320 0.70796664 # 227 H66
0.77483402 0.78959147 0.17896804 # 228 H78
0.35631036 0.12933613 0.24192121 # 229 H13
0.36347046 0.47280155 0.75152673 # 230 H27
0.10170034 0.67756225 0.36328064 # 231 H42
0.60424564 0.15957106 0.52380151 # 232 H58
0.39449782 0.50887445 0.27151384 # 233 H75
0.60785707 0.93556821 0.36144479 # 234 H93
0.44113087 0.68479848 0.35399168 # 235 H112
0.63993302 0.20609372 0.98731771 # 236 H132
0.94066312 0.15980110 0.52230684 # 237 H153
0.89207352 0.65787270 0.10348468 # 238 H175
0.02508769 0.46429962 0.74249881 # 239 H198
0.71852577 0.85261969 0.26754770 # 240 H222