#MD System 2.0 @Title neb0_image05 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 WyckoffPosition int -1 @end @data 6 {} {0.356652896151 0.540554214719 0.422742804102} C1 1 1 14 {} {0.337586897533 0.507515406071 0.53374643536} Si1 2 1 14 {} {0.411689523541 0.583115999173 0.418387310846} Si2 3 1 8 {} {0.340882715653 0.567798176176 0.608993752021} O1 4 1 8 {} {0.284651271854 0.485604116153 0.525809342238} O2 5 1 6 {} {0.369267431265 0.431570481272 0.569166036885} C2 6 1 6 {} {0.460611556106 0.525884922815 0.412071392935} C3 7 1 8 {} {0.413507576541 0.627050049882 0.513699596378} O3 8 1 8 {} {0.412144065227 0.633750058585 0.330533464892} O4 9 1 14 {} {0.232311499536 0.491173247132 0.556408483107} Si3 10 1 7 {} {0.212736967663 0.412417055848 0.587879640806} N1 11 1 14 {} {0.176701609924 0.408123910074 0.679750605153} Si4 12 1 14 {} {0.228336536128 0.342419474783 0.523862827242} Si5 13 1 7 {} {0.229532327569 0.354888309265 0.41030653375} N2 14 1 7 {} {0.129178707009 0.456464572919 0.672566805032} N3 15 1 1 {} {0.356224419663 0.500124980067 0.372691477764} H1 16 1 1 {} {0.331712195746 0.577662029442 0.400713601637} H2 17 1 1 {} {0.36465409027 0.59995773897 0.595953697682} H3 18 1 1 {} {0.365936309326 0.390563997747 0.520679548432} H4 19 1 1 {} {0.356593832097 0.413499691146 0.633665394885} H5 20 1 1 {} {0.404985082561 0.442537593569 0.577440254352} H6 21 1 1 {} {0.492653585204 0.552800769153 0.411578725955} H7 22 1 1 {} {0.459347070121 0.494851479426 0.351474930808} H8 23 1 1 {} {0.46154173991 0.49181430604 0.469441054442} H9 24 1 1 {} {0.438737247494 0.656414523057 0.523866650286} H10 25 1 1 {} {0.440566852176 0.642413509538 0.302008366912} H11 26 1 1 {} {0.226595146665 0.536817705628 0.634416841339} H12 27 1 1 {} {0.20685087049 0.517737137951 0.478673947849} H13 28 1 1 {} {0.163818856159 0.336406215636 0.687877210026} H14 29 1 1 {} {0.199748892776 0.432465636595 0.761622229267} H15 30 1 1 {} {0.274247961986 0.32074154275 0.548797043369} H16 31 1 1 {} {0.1952019561 0.289029014605 0.544209160514} H17 32 1 1 {} {0.255986404133 0.378810937923 0.382356205786} H18 33 1 1 {} {0.201053316205 0.365494131821 0.376299443117} H19 34 1 1 {} {0.129004468445 0.504065324108 0.696306208136} H20 35 1 1 {} {0.106516511007 0.450473420796 0.622772763221} H21 36 1 6 {} {0.585300468985 0.342148743155 0.309203149818} C4 37 1 14 {} {0.580616047223 0.375513816907 0.426257359073} Si6 38 1 14 {} {0.569352805258 0.253082477721 0.291244466258} Si7 39 1 8 {} {0.609276394697 0.326575198485 0.494203595461} O5 40 1 8 {} {0.603130791714 0.450712911675 0.431105069639} O6 41 1 6 {} {0.521627551785 0.383601982553 0.463019953869} C5 42 1 6 {} {0.508457659524 0.242419024282 0.267642134609} C6 43 1 8 {} {0.584645585374 0.214413903572 0.385496157208} O7 44 1 8 {} {0.599076811411 0.216034168754 0.211384169626} O8 45 1 14 {} {0.64690471411 0.495511433934 0.459765759992} Si8 46 1 7 {} {0.63135885414 0.576527848532 0.486827908047} N4 47 1 14 {} {0.637971335033 0.604289404632 0.597239389889} Si9 48 1 14 {} {0.607481599476 0.630221152749 0.408062969995} Si10 49 1 7 {} {0.618569650917 0.611035359821 0.298085845126} N5 50 1 7 {} {0.690676458628 0.624046245945 0.633602635363} N6 51 1 1 {} {0.565885022541 0.373878707406 0.263195652783} H22 52 1 1 {} {0.620624994228 0.347250261919 0.289580065898} H23 53 1 1 {} {0.607610845084 0.279460320876 0.476684953518} H24 54 1 1 {} {0.502739554191 0.416254374674 0.41825717143} H25 55 1 1 {} {0.520096877215 0.40570675507 0.530076900685} H26 56 1 1 {} {0.504543300583 0.33506289336 0.465266723626} H27 57 1 1 {} {0.499142185131 0.189307668505 0.26300690683} H28 58 1 1 {} {0.499196254399 0.266557965693 0.204272818146} H29 59 1 1 {} {0.488034802586 0.265285772396 0.320402338299} H30 60 1 1 {} {0.587335869437 0.166063152338 0.38326056512} H31 61 1 1 {} {0.585870298757 0.212016604067 0.152644011881} H32 62 1 1 {} {0.668918947225 0.46677789773 0.540475876298} H33 63 1 1 {} {0.67861002519 0.4951539594 0.383145328546} H34 64 1 1 {} {0.610349345282 0.666329183584 0.603857632115} H35 65 1 1 {} {0.621502680889 0.551288920003 0.658898124598} H36 66 1 1 {} {0.55770628653 0.629454145627 0.415457606102} H37 67 1 1 {} {0.62444274371 0.699113206871 0.425880536267} H38 68 1 1 {} {0.602204430844 0.572496386674 0.268128456019} H39 69 1 1 {} {0.65020844911 0.614540729279 0.273900504578} H40 70 1 1 {} {0.712012160415 0.586881069223 0.651390022988} H41 71 1 1 {} {0.707581770357 0.663100982853 0.606393752733} H42 72 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} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 56 41 0 0 50 47 0 0 2 0 0 0 58 42 0 0 44 38 0 0 70 50 0 0 69 49 0 0 34 14 0 0 48 46 0 0 52 36 0 0 6 2 0 0 49 48 0 0 62 45 0 0 21 6 0 0 7 2 0 0 22 6 0 0 8 2 0 0 27 9 0 0 33 13 0 0 37 36 0 0 23 6 0 0 59 42 0 0 12 10 0 0 54 41 0 0 51 36 0 0 61 44 0 0 16 0 0 0 19 5 0 0 20 5 0 0 13 12 0 0 1 0 0 0 43 38 0 0 10 9 0 0 68 49 0 0 53 39 0 0 3 1 0 0 47 46 0 0 60 43 0 0 4 1 0 0 18 5 0 0 5 1 0 0 67 48 0 0 26 9 0 0 32 13 0 0 46 45 0 0 17 3 0 0 11 10 0 0 9 4 0 0 15 0 0 0 25 8 0 0 31 12 0 0 42 38 0 0 64 47 0 0 24 7 0 0 29 11 0 0 40 37 0 0 39 37 0 0 41 37 0 0 66 48 0 0 57 42 0 0 38 36 0 0 65 47 0 0 30 12 0 0 28 11 0 0 71 50 0 0 45 40 0 0 35 14 0 0 55 41 0 0 14 11 0 0 63 45 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 56 41 {0 0 0} 0 1 47 50 {0 0 0} 0 2 0 2 {0 0 0} 0 3 58 42 {0 0 0} 0 4 38 44 {0 0 0} 0 5 50 70 {0 0 0} 0 6 49 69 {0 0 0} 0 7 14 34 {0 0 0} 0 8 46 48 {0 0 0} 0 9 36 52 {0 0 0} 0 10 2 6 {0 0 0} 0 11 48 49 {0 0 0} 0 12 45 62 {0 0 0} 0 13 21 6 {0 0 0} 0 14 7 2 {0 0 0} 0 15 22 6 {0 0 0} 0 16 8 2 {0 0 0} 0 17 9 27 {0 0 0} 0 18 13 33 {0 0 0} 0 19 36 37 {0 0 0} 0 20 23 6 {0 0 0} 0 21 59 42 {0 0 0} 0 22 10 12 {0 0 0} 0 23 41 54 {0 0 0} 0 24 51 36 {0 0 0} 0 25 44 61 {0 0 0} 0 26 0 16 {0 0 0} 0 27 5 19 {0 0 0} 0 28 5 20 {0 0 0} 0 29 12 13 {0 0 0} 0 30 0 1 {0 0 0} 0 31 38 43 {0 0 0} 0 32 10 9 {0 0 0} 0 33 49 68 {0 0 0} 0 34 39 53 {0 0 0} 0 35 3 1 {0 0 0} 0 36 46 47 {0 0 0} 0 37 43 60 {0 0 0} 0 38 4 1 {0 0 0} 0 39 18 5 {0 0 0} 0 40 1 5 {0 0 0} 0 41 48 67 {0 0 0} 0 42 9 26 {0 0 0} 0 43 13 32 {0 0 0} 0 44 45 46 {0 0 0} 0 45 3 17 {0 0 0} 0 46 10 11 {0 0 0} 0 47 4 9 {0 0 0} 0 48 15 0 {0 0 0} 0 49 8 25 {0 0 0} 0 50 12 31 {0 0 0} 0 51 38 42 {0 0 0} 0 52 64 47 {0 0 0} 0 53 7 24 {0 0 0} 0 54 11 29 {0 0 0} 0 55 40 37 {0 0 0} 0 56 39 37 {0 0 0} 0 57 37 41 {0 0 0} 0 58 66 48 {0 0 0} 0 59 42 57 {0 0 0} 0 60 38 36 {0 0 0} 0 61 65 47 {0 0 0} 0 62 30 12 {0 0 0} 0 63 28 11 {0 0 0} 0 64 50 71 {0 0 0} 0 65 45 40 {0 0 0} 0 66 14 35 {0 0 0} 0 67 55 41 {0 0 0} 0 68 11 14 {0 0 0} 0 69 63 45 {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