#MD System 2.0 @Title neb0_image10 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 Spin double 0.0 WyckoffPosition int -1 @end @data 14 {} {0.849836043243 0.308298104027 0.0620454649803} Si1 1 0.0 1 14 {} {0.850632020054 0.385447648041 0.444132321312} Si2 2 0.0 1 14 {} {0.0997850686214 0.307913284465 0.192186759527} Si3 3 0.0 1 14 {} {0.10006071571 0.383761467007 0.317529261131} Si4 4 0.0 1 14 {} {0.861554394726 0.543679341752 0.441019931529} Si5 5 0.0 1 14 {} {0.102928394643 0.537864133881 0.303593412802} Si6 6 0.0 1 14 {} {0.846309341049 0.45947017807 0.0670130492556} Si7 7 0.0 1 14 {} {0.846251011159 0.230359125311 0.4423136729} Si8 8 0.0 1 14 {} {0.0992846586256 0.458765661023 0.191663912897} Si9 9 0.0 1 14 {} {0.0959301087417 0.229532909655 0.313494897702} Si10 10 0.0 1 8 {} {0.310151827204 0.588089320245 0.533407849298} O1 11 0.0 1 14 {} {0.348184386969 0.654627712799 0.518297449372} Si11 12 0.0 1 8 {} {0.113387826215 0.589703696597 0.207602334702} O2 13 0.0 1 1 {} {0.01337338593 0.594664462781 0.147901940038} H1 14 0.0 1 8 {} {0.335091877227 0.178188790781 0.539984265058} O3 15 0.0 1 1 {} {0.933887098883 0.175526906379 0.600735043275} H2 16 0.0 1 8 {} {0.0847893165679 0.177744355685 0.215936277142} O4 17 0.0 1 1 {} {0.183741659535 0.174191007561 0.155801364063} H3 18 0.0 1 14 {} {0.85076746799 0.308559937094 0.565256819177} Si12 19 0.0 1 14 {} {0.849553921354 0.385146746566 0.938900020863} Si13 20 0.0 1 14 {} {0.100217464961 0.310150183149 0.695249490237} Si14 21 0.0 1 14 {} {0.101099867418 0.389000360999 0.81338727494} Si15 22 0.0 1 14 {} {0.853471211366 0.537960221761 0.951111431389} Si16 23 0.0 1 14 {} {0.105467107124 0.543770723745 0.81982006142} Si17 24 0.0 1 14 {} {0.851948364231 0.464609664769 0.559618393547} Si18 25 0.0 1 14 {} {0.846215818787 0.229588589403 0.942434193559} Si19 26 0.0 1 14 {} {0.101913126435 0.467083704964 0.689869715646} Si20 27 0.0 1 14 {} {0.096472103674 0.230916321815 0.814889308303} Si21 28 0.0 1 8 {} {0.364084186081 0.589845551937 0.0468429558326} O5 29 0.0 1 1 {} {0.26382596801 0.594398791231 0.107269551701} H4 30 0.0 1 8 {} {0.109844781866 0.605086679087 0.782954009926} O6 31 0.0 1 1 {} {0.120500405601 0.627279470883 0.705396521588} H5 32 0.0 1 8 {} {0.335198120136 0.178164849682 0.0410231365957} O7 33 0.0 1 1 {} {0.934099331164 0.174427750491 0.10092150456} H6 34 0.0 1 8 {} {0.0853855086041 0.180462669177 0.713661148523} O8 35 0.0 1 1 {} {0.184875129159 0.176512045406 0.653908326599} H7 36 0.0 1 14 {} {0.350021855364 0.308353646256 0.0622440914412} Si22 37 0.0 1 14 {} {0.35071312617 0.384610539992 0.443273104843} Si23 38 0.0 1 14 {} {0.600043627114 0.308634922184 0.192307453782} Si24 39 0.0 1 14 {} {0.601140149426 0.384636361634 0.317804459436} Si25 40 0.0 1 14 {} {0.348009900744 0.540267692792 0.437039489923} Si26 41 0.0 1 14 {} {0.606219276715 0.544688772872 0.315297478643} Si27 42 0.0 1 14 {} {0.355615284556 0.459168544546 0.069744104859} Si28 43 0.0 1 14 {} {0.345664060973 0.229895660961 0.442183244968} Si29 44 0.0 1 14 {} {0.602785299534 0.462724002836 0.202206753904} Si30 45 0.0 1 14 {} {0.595991356629 0.230222258067 0.313864443392} Si31 46 0.0 1 8 {} {0.879535211205 0.590322442581 0.544189661364} O9 47 0.0 1 1 {} {0.956419915416 0.621606299667 0.539763524494} H8 48 0.0 1 8 {} {0.61901487106 0.591563585584 0.207244798181} O10 49 0.0 1 1 {} {0.516025758 0.596333652394 0.15018180969} H9 50 0.0 1 8 {} {0.834762960617 0.178806307986 0.540536115617} O11 51 0.0 1 1 {} {0.433972324092 0.174837129112 0.600311492492} H10 52 0.0 1 8 {} {0.585299151002 0.178553000327 0.215918966887} O12 53 0.0 1 1 {} {0.684310135188 0.174868982895 0.155860842774} H11 54 0.0 1 14 {} {0.349245532281 0.307981784677 0.564924554138} Si32 55 0.0 1 14 {} {0.352193928852 0.385331681842 0.939653265165} Si33 56 0.0 1 14 {} {0.59981787285 0.30906501028 0.693567903221} Si34 57 0.0 1 14 {} {0.60073248754 0.387262932875 0.811699879433} Si35 58 0.0 1 14 {} {0.355663305603 0.537363100705 0.954345248403} Si36 59 0.0 1 14 {} {0.601507189197 0.542222631 0.817352373003} Si37 60 0.0 1 14 {} {0.351751064033 0.463060683319 0.559927538323} Si38 61 0.0 1 14 {} {0.346467730816 0.229644655866 0.942655615108} Si39 62 0.0 1 14 {} {0.601859744615 0.465361080016 0.689952672943} Si40 63 0.0 1 14 {} {0.596267749016 0.230341978235 0.814520344354} Si41 64 0.0 1 8 {} {0.862043562402 0.590517018511 0.0434549173405} O13 65 0.0 1 1 {} {0.763402445311 0.594545025003 0.105950058806} H12 66 0.0 1 8 {} {0.596286081306 0.597640008075 0.742869861805} O14 67 0.0 1 14 {} {0.589917442826 0.663594829096 0.740699009394} Si42 68 0.0 1 8 {} {0.835124299513 0.178116605689 0.0408204059864} O15 69 0.0 1 1 {} {0.434196679617 0.174632131164 0.101149176509} H13 70 0.0 1 8 {} {0.585006583658 0.17958090798 0.714166291526} O16 71 0.0 1 1 {} {0.684297856637 0.176011916215 0.654129759515} H14 72 0.0 1 7 {} {0.453549355797 0.687715953595 0.634001264054} N 73 0.0 1 1 {} {0.439432636259 0.75400475363 0.646758592206} H16 74 0.0 1 9 {} {0.787194686032 0.682126314706 0.72221405721} F4 75 0.0 1 9 {} {0.262046713014 0.682726862492 0.39923236727} F5 76 0.0 1 9 {} {0.536847977141 0.680056340545 0.878204876161} F3 77 0.0 1 9 {} {0.140511211054 0.66180288892 0.593956063081} F1 78 0.0 1 9 {} {0.438614151298 0.791900422694 0.66226614585} F2 79 0.0 1 9 {} {0.536401110466 0.640940621965 0.438634181118} F6 80 0.0 1 @end @Columns Cell Constraints string {a b c A B G} Origin int {{0 0 0}} Parameters double {{10.0 10.0 10.0 90.0 90.0 90.0}} PrimitiveData double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} SpaceGroup string P1 SpaceGroupNumber int 1 ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}} ToFractionals double {{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}} @end @data {a b c A B G} {0 0 0} {7.6631 25.3262 10.83726 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{7.6631 0 0} {0 25.3262 0} {0 0 10.83726}} {{0.130495491381 0 0} {0 0.0394848022996 0} {0 0 0.0922742464424}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 70 63 0 0 79 11 0 0 45 38 0 0 21 19 0 0 78 73 0 0 3 1 0 0 27 20 0 0 56 54 0 0 37 3 0 0 60 26 0 1 62 24 0 1 17 16 0 0 54 43 0 0 45 43 0 0 27 25 0 0 26 21 0 0 40 10 0 0 44 6 0 1 77 11 0 0 61 36 0 0 38 0 0 0 2 0 0 0 57 19 0 0 13 12 0 0 25 0 0 0 47 46 0 0 75 11 0 0 62 60 0 1 24 1 0 0 18 7 0 0 54 37 0 0 29 28 0 0 57 56 0 0 56 18 0 0 58 28 0 0 42 8 0 0 39 38 0 0 67 66 0 0 66 59 0 0 3 2 0 0 57 55 0 0 19 0 0 0 61 27 0 0 63 25 0 0 49 48 0 0 54 20 0 0 68 33 0 0 44 39 0 0 62 57 0 0 68 25 0 0 8 6 0 0 53 52 0 0 52 45 0 0 45 7 0 0 72 11 0 0 50 7 0 0 72 67 0 0 35 34 0 0 48 41 0 0 11 10 0 0 8 5 0 0 39 1 0 0 61 32 0 0 51 14 0 0 50 15 0 0 21 20 0 0 63 61 0 0 55 42 0 0 38 36 0 0 31 30 0 0 26 24 0 1 65 64 0 0 43 9 0 0 76 67 0 0 18 1 0 0 8 3 0 0 9 7 0 0 55 21 0 0 19 6 0 0 44 42 0 1 36 2 0 0 63 56 0 0 71 70 0 0 16 9 0 0 9 2 0 0 69 32 0 0 39 37 0 0 64 22 0 0 34 27 0 0 20 18 0 0 55 36 0 0 43 14 0 0 46 4 0 0 30 23 0 0 60 37 0 0 12 5 0 0 74 67 0 0 @end @Columns Bond AsymmetricBond reference AsymmetricBond Atom1 reference Atom Atom2 reference Atom CellOffset2 int {{0 0 0}} Key int 0 @end @data 0 70 63 {0 0 0} 0 1 11 79 {0 0 0} 0 2 45 38 {0 0 0} 0 3 19 21 {1 0 0} 0 4 73 78 {0 0 0} 0 5 3 1 {-1 0 0} 0 6 20 27 {0 0 0} 0 7 56 54 {0 0 0} 0 8 3 37 {0 0 0} 0 9 26 60 {0 0 0} 0 10 62 24 {0 0 0} 0 11 17 16 {0 0 0} 0 12 54 43 {0 0 0} 0 13 43 45 {0 0 0} 0 14 25 27 {1 0 0} 0 15 26 21 {0 0 0} 0 16 40 10 {0 0 0} 0 17 44 6 {0 0 0} 0 18 11 77 {0 0 0} 0 19 61 36 {0 0 1} 0 20 0 38 {0 0 0} 0 21 0 2 {1 0 0} 0 22 57 19 {0 0 0} 0 23 13 12 {0 0 0} 0 24 25 0 {0 0 1} 0 25 47 46 {0 0 0} 0 26 75 11 {0 0 0} 0 27 62 60 {0 0 0} 0 28 1 24 {0 0 0} 0 29 7 18 {0 0 0} 0 30 37 54 {0 0 0} 0 31 28 29 {0 0 0} 0 32 57 56 {0 0 0} 0 33 18 56 {0 0 0} 0 34 28 58 {0 0 -1} 0 35 8 42 {0 0 0} 0 36 38 39 {0 0 0} 0 37 67 66 {0 0 0} 0 38 59 66 {0 0 0} 0 39 3 2 {0 0 0} 0 40 57 55 {0 0 0} 0 41 0 19 {0 0 -1} 0 42 27 61 {0 0 0} 0 43 63 25 {0 0 0} 0 44 48 49 {0 0 0} 0 45 54 20 {0 0 0} 0 46 33 68 {0 0 0} 0 47 39 44 {0 0 0} 0 48 62 57 {0 0 0} 0 49 25 68 {0 0 1} 0 50 6 8 {1 0 0} 0 51 53 52 {0 0 0} 0 52 45 52 {0 0 0} 0 53 45 7 {0 0 0} 0 54 72 11 {0 0 0} 0 55 50 7 {0 0 0} 0 56 72 67 {0 0 0} 0 57 34 35 {0 0 0} 0 58 41 48 {0 0 0} 0 59 10 11 {0 0 0} 0 60 8 5 {0 0 0} 0 61 1 39 {0 0 0} 0 62 61 32 {0 0 1} 0 63 14 51 {0 0 0} 0 64 50 15 {0 0 0} 0 65 20 21 {0 0 0} 0 66 63 61 {0 0 0} 0 67 55 42 {0 0 1} 0 68 38 36 {0 0 0} 0 69 30 31 {0 0 0} 0 70 26 24 {-1 0 0} 0 71 64 65 {0 0 0} 0 72 9 43 {0 0 0} 0 73 76 67 {0 0 0} 0 74 1 18 {0 0 0} 0 75 8 3 {0 0 0} 0 76 7 9 {1 0 0} 0 77 55 21 {0 0 0} 0 78 19 6 {0 0 1} 0 79 44 42 {0 0 0} 0 80 36 2 {0 0 0} 0 81 56 63 {0 0 0} 0 82 70 71 {0 0 0} 0 83 16 9 {0 0 0} 0 84 2 9 {0 0 0} 0 85 69 32 {0 0 0} 0 86 39 37 {0 0 0} 0 87 22 64 {0 0 1} 0 88 27 34 {0 0 0} 0 89 20 18 {-1 0 0} 0 90 55 36 {0 0 1} 0 91 43 14 {0 0 0} 0 92 46 4 {0 0 0} 0 93 23 30 {0 0 0} 0 94 60 37 {0 0 0} 0 95 12 5 {0 0 0} 0 96 67 74 {0 0 0} 0 @end @Columns Subset Color string {{#65d9f0}} Criteria string {{}} DisplayLine int 0 IeqJ int 1 IgtJ int 0 IltJ int 0 Length int 1 Name string {{}} Table string {{}} Type string atom UseColor int 0 @end @data @end