#MD System 2.0 @Title neb0_image02 @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 {} {0.848040457831 0.306848701975 0.0632279800484} Si1 1 0.0 1 14 {} {0.848378299519 0.385077060967 0.444677636973} Si2 2 0.0 1 14 {} {0.0978807263949 0.306829723085 0.193132351558} Si3 3 0.0 1 14 {} {0.0982586862288 0.383016580049 0.31797253625} Si4 4 0.0 1 14 {} {0.854775583596 0.540849464342 0.435151603731} Si5 5 0.0 1 14 {} {0.103284886134 0.537171478677 0.307939036224} Si6 6 0.0 1 14 {} {0.848824252155 0.458095615367 0.065316342459} Si7 7 0.0 1 14 {} {0.844383617264 0.229016850886 0.442054455906} Si8 8 0.0 1 14 {} {0.0990661661203 0.45818597375 0.19298898107} Si9 9 0.0 1 14 {} {0.0944019566274 0.228357998277 0.314152555961} Si10 10 0.0 1 8 {} {0.357710569128 0.592913462595 0.520202851615} O1 11 0.0 1 14 {} {0.345892082629 0.65772515421 0.52382191425} Si11 12 0.0 1 8 {} {0.111806815301 0.589507171067 0.212265700641} O2 13 0.0 1 1 {} {0.0119449277091 0.593284605691 0.152013963297} H1 14 0.0 1 8 {} {0.333497340224 0.17768908588 0.541420513456} O3 15 0.0 1 1 {} {0.932730975368 0.174638015995 0.601887123021} H2 16 0.0 1 8 {} {0.0833381444678 0.17670462969 0.216038787382} O4 17 0.0 1 1 {} {0.182335761613 0.173202666895 0.155875360198} H3 18 0.0 1 14 {} {0.848039297609 0.307464523023 0.564296630988} Si12 19 0.0 1 14 {} {0.849137113655 0.38328349145 0.939004777978} Si13 20 0.0 1 14 {} {0.0980384864155 0.307712799082 0.693447206455} Si14 21 0.0 1 14 {} {0.0991655198723 0.385735617832 0.812090027653} Si15 22 0.0 1 14 {} {0.849864027392 0.536699876813 0.949393856504} Si16 23 0.0 1 14 {} {0.098059667261 0.539527019621 0.824441666687} Si17 24 0.0 1 14 {} {0.849955146636 0.463938968793 0.562408385059} Si18 25 0.0 1 14 {} {0.844406465446 0.228271592474 0.94278420873} Si19 26 0.0 1 14 {} {0.0990595736878 0.464287305425 0.692666865117} Si20 27 0.0 1 14 {} {0.0944159719417 0.229106756362 0.814975182533} Si21 28 0.0 1 8 {} {0.361050804733 0.588721715382 0.0461226537145} O5 29 0.0 1 1 {} {0.261449592849 0.593305908286 0.106281026334} H4 30 0.0 1 8 {} {0.114765176941 0.597399920276 0.746776459478} O6 31 0.0 1 1 {} {0.0266881070042 0.623758156812 0.733778951313} H5 32 0.0 1 8 {} {0.333358609214 0.17664593195 0.0411033803138} O7 33 0.0 1 1 {} {0.932449300229 0.173290134613 0.101409355013} H6 34 0.0 1 8 {} {0.0835698887308 0.17817747582 0.714831459974} O8 35 0.0 1 1 {} {0.182917221086 0.174759607688 0.654776986018} H7 36 0.0 1 14 {} {0.347853133481 0.306817691759 0.0632766550013} Si22 37 0.0 1 14 {} {0.348705094185 0.384745069402 0.44426255909} Si23 38 0.0 1 14 {} {0.59795994894 0.306793315218 0.192930178956} Si24 39 0.0 1 14 {} {0.598783897451 0.382988708723 0.317678597243} Si25 40 0.0 1 14 {} {0.354470191761 0.538887271129 0.433160598058} Si26 41 0.0 1 14 {} {0.605555489706 0.537662910843 0.308080139149} Si27 42 0.0 1 14 {} {0.349510260074 0.457992031414 0.0660094113648} Si28 43 0.0 1 14 {} {0.344500667443 0.228872647535 0.44199562277} Si29 44 0.0 1 14 {} {0.59987393074 0.458466758949 0.193745114291} Si30 45 0.0 1 14 {} {0.594462001934 0.228309939518 0.31394778187} Si31 46 0.0 1 8 {} {0.846627510987 0.595248783455 0.520569420888} O9 47 0.0 1 1 {} {0.942040710151 0.621058216184 0.52126826792} H8 48 0.0 1 8 {} {0.614379315421 0.589077635462 0.209906028801} O10 49 0.0 1 1 {} {0.512822834804 0.593242206026 0.150978045524} H9 50 0.0 1 8 {} {0.833467466803 0.177912430483 0.54169006601} O11 51 0.0 1 1 {} {0.432634104411 0.174402191979 0.601683232711} H10 52 0.0 1 8 {} {0.58357827911 0.176634657233 0.215877072691} O12 53 0.0 1 1 {} {0.682479222906 0.173183374254 0.155594053848} H11 54 0.0 1 14 {} {0.347972183891 0.307272210944 0.564317290548} Si32 55 0.0 1 14 {} {0.348880914736 0.38327591561 0.93924004084} Si33 56 0.0 1 14 {} {0.59802962812 0.307586016243 0.693354418983} Si34 57 0.0 1 14 {} {0.599026530711 0.38542620434 0.812429786061} Si35 58 0.0 1 14 {} {0.348424610936 0.536540964083 0.950476586583} Si36 59 0.0 1 14 {} {0.597581883189 0.539392670249 0.823665359282} Si37 60 0.0 1 14 {} {0.349524476791 0.463177655935 0.5631627118} Si38 61 0.0 1 14 {} {0.344288348178 0.228249232771 0.942857911474} Si39 62 0.0 1 14 {} {0.599870164179 0.463784450389 0.692400278669} Si40 63 0.0 1 14 {} {0.594344311998 0.229039427623 0.815037417587} Si41 64 0.0 1 8 {} {0.862128274653 0.589232696899 0.0442383033259} O13 65 0.0 1 1 {} {0.762260484021 0.593253777311 0.104788880317} H12 66 0.0 1 8 {} {0.591983897506 0.594680878592 0.742495850972} O14 67 0.0 1 14 {} {0.601440609099 0.659216325042 0.740362531599} Si42 68 0.0 1 8 {} {0.833581421437 0.176683193095 0.0410751075836} O15 69 0.0 1 1 {} {0.432386900609 0.173181312285 0.101261812572} H13 70 0.0 1 8 {} {0.583451493663 0.17810216846 0.714933423513} O16 71 0.0 1 1 {} {0.682777005017 0.174776738729 0.654811291622} H14 72 0.0 1 7 {} {0.468021931034 0.686321119822 0.634664035267} N 73 0.0 1 1 {} {0.456645706938 0.726644134685 0.640390179801} H16 74 0.0 1 9 {} {0.805675540569 0.673231770488 0.721327878489} F4 75 0.0 1 9 {} {0.376871853209 0.680437616417 0.386359789104} F5 76 0.0 1 9 {} {0.558972293126 0.680850741608 0.875447328454} F3 77 0.0 1 9 {} {0.141239439791 0.669332898896 0.544719449995} F1 78 0.0 1 9 {} {0.426074059514 0.792825934159 0.665520514159} F2 79 0.0 1 9 {} {0.571943424209 0.778421372955 0.551531529165} 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 45 38 0 0 21 19 0 0 58 42 0 0 3 1 0 0 27 20 0 0 22 6 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 0 77 11 0 0 61 36 0 0 2 0 0 0 38 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 79 78 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 0 36 2 0 0 63 56 0 0 44 41 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 45 38 {0 0 0} 0 2 19 21 {1 0 0} 0 3 42 58 {0 0 -1} 0 4 3 1 {-1 0 0} 0 5 20 27 {0 0 0} 0 6 22 6 {0 0 1} 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 2 {1 0 0} 0 21 0 38 {0 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 68 33 {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 78 79 {0 0 0} 0 67 63 61 {0 0 0} 0 68 55 42 {0 0 1} 0 69 38 36 {0 0 0} 0 70 30 31 {0 0 0} 0 71 26 24 {-1 0 0} 0 72 64 65 {0 0 0} 0 73 9 43 {0 0 0} 0 74 76 67 {0 0 0} 0 75 1 18 {0 0 0} 0 76 8 3 {0 0 0} 0 77 7 9 {1 0 0} 0 78 55 21 {0 0 0} 0 79 19 6 {0 0 1} 0 80 44 42 {0 0 0} 0 81 36 2 {0 0 0} 0 82 56 63 {0 0 0} 0 83 41 44 {0 0 0} 0 84 70 71 {0 0 0} 0 85 16 9 {0 0 0} 0 86 2 9 {0 0 0} 0 87 69 32 {0 0 0} 0 88 39 37 {0 0 0} 0 89 22 64 {0 0 1} 0 90 27 34 {0 0 0} 0 91 20 18 {-1 0 0} 0 92 55 36 {0 0 1} 0 93 43 14 {0 0 0} 0 94 46 4 {0 0 0} 0 95 23 30 {0 0 0} 0 96 60 37 {0 0 0} 0 97 12 5 {0 0 0} 0 98 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