#MD System 2.0 @Title neb0_image03 @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 {} {0.848257730007 0.307026970755 0.0630814975604} Si1 1 0.0 1 14 {} {0.848665332977 0.385123297768 0.444572475447} Si2 2 0.0 1 14 {} {0.0981111290839 0.306962100857 0.193033297919} Si3 3 0.0 1 14 {} {0.0984925376688 0.383099238676 0.317943115987} Si4 4 0.0 1 14 {} {0.855579755325 0.541212375958 0.43589383645} Si5 5 0.0 1 14 {} {0.103254465189 0.537246914828 0.307419029691} Si6 6 0.0 1 14 {} {0.848521257824 0.45825133415 0.0655496848816} Si7 7 0.0 1 14 {} {0.844608329008 0.229166038545 0.442104892808} Si8 8 0.0 1 14 {} {0.0990737760764 0.458263155741 0.192805485706} Si9 9 0.0 1 14 {} {0.0945662087396 0.228495924442 0.314047757629} Si10 10 0.0 1 8 {} {0.35070980928 0.592002857231 0.521780208844} O1 11 0.0 1 14 {} {0.346887403916 0.656929202703 0.524267807383} Si11 12 0.0 1 8 {} {0.112049687293 0.589532125211 0.211640186161} O2 13 0.0 1 1 {} {0.0121267030958 0.593464416126 0.151523795828} H1 14 0.0 1 8 {} {0.333673788364 0.17775970286 0.541237836488} O3 15 0.0 1 1 {} {0.932860931022 0.174741435203 0.601751468162} H2 16 0.0 1 8 {} {0.0835193867325 0.176847537109 0.216046477441} O4 17 0.0 1 1 {} {0.182492753455 0.173314404738 0.155866818017} H3 18 0.0 1 14 {} {0.848330326645 0.307594985055 0.564390601111} Si12 19 0.0 1 14 {} {0.849171280048 0.383506539132 0.938963053563} Si13 20 0.0 1 14 {} {0.0982652937544 0.308008837527 0.693640727611} Si14 21 0.0 1 14 {} {0.0993898786822 0.386135298544 0.812325861493} Si15 22 0.0 1 14 {} {0.850648235736 0.53684611308 0.949759381183} Si16 23 0.0 1 14 {} {0.0991731380656 0.54042323219 0.822837272107} Si17 24 0.0 1 14 {} {0.850191831963 0.464031600277 0.562097660395} Si18 25 0.0 1 14 {} {0.844599008032 0.228420044799 0.942774849608} Si19 26 0.0 1 14 {} {0.0994463124366 0.464673594359 0.692295451203} Si20 27 0.0 1 14 {} {0.0946420473375 0.229308767295 0.814971316401} Si21 28 0.0 1 8 {} {0.361332784885 0.58885648363 0.0461898981107} O5 29 0.0 1 1 {} {0.261728306528 0.593448385611 0.106439275347} H4 30 0.0 1 8 {} {0.118010505742 0.595563978525 0.754808447834} O6 31 0.0 1 1 {} {0.0339457400856 0.626393682575 0.727508524001} H5 32 0.0 1 8 {} {0.333574783791 0.176843409654 0.0410823303602} O7 33 0.0 1 1 {} {0.932633330013 0.173422828979 0.10135678934} H6 34 0.0 1 8 {} {0.0837840556427 0.178471685669 0.71469923378} O8 35 0.0 1 1 {} {0.183147317736 0.174966641221 0.654670260341} H7 36 0.0 1 14 {} {0.348093917189 0.307005175751 0.0631464502629} Si22 37 0.0 1 14 {} {0.348966145568 0.384729557705 0.444108860757} Si23 38 0.0 1 14 {} {0.598231934951 0.307016089166 0.192866000415} Si24 39 0.0 1 14 {} {0.599069517025 0.383187374205 0.317719321238} Si25 40 0.0 1 14 {} {0.353656794304 0.538975180188 0.433652416226} Si26 41 0.0 1 14 {} {0.605585649881 0.538567995979 0.309069734958} Si27 42 0.0 1 14 {} {0.350187497818 0.458116033967 0.0664737888272} Si28 43 0.0 1 14 {} {0.344633419374 0.228985307786 0.442046448915} Si29 44 0.0 1 14 {} {0.600213759107 0.458994965133 0.194760554909} Si30 45 0.0 1 14 {} {0.594636442441 0.228524516085 0.313903888891} Si31 46 0.0 1 8 {} {0.850617995616 0.594549216214 0.523315660194} O9 47 0.0 1 1 {} {0.943754389568 0.621176134964 0.52369621186} H8 48 0.0 1 8 {} {0.615056463378 0.589350214711 0.209394766757} O10 49 0.0 1 1 {} {0.513223856289 0.5936218899 0.150877042937} H9 50 0.0 1 8 {} {0.83362135385 0.178034144227 0.541542158802} O11 51 0.0 1 1 {} {0.43277425886 0.174449676276 0.601519876062} H10 52 0.0 1 8 {} {0.583791530288 0.176875534326 0.215890480639} O12 53 0.0 1 1 {} {0.682689433103 0.173378736277 0.155612744513} H11 54 0.0 1 14 {} {0.348125568619 0.307357994872 0.564369454778} Si32 55 0.0 1 14 {} {0.349282125092 0.383519941198 0.939249110497} Si33 56 0.0 1 14 {} {0.598215564461 0.307759295958 0.693383884511} Si34 57 0.0 1 14 {} {0.599229444112 0.385649675337 0.812368958149} Si35 58 0.0 1 14 {} {0.349288108221 0.536675535735 0.951101994889} Si36 59 0.0 1 14 {} {0.59813797545 0.539743508101 0.822590539623} Si37 60 0.0 1 14 {} {0.349781295042 0.463167916352 0.562741163087} Si38 61 0.0 1 14 {} {0.344550625979 0.228408398106 0.942860304296} Si39 62 0.0 1 14 {} {0.600105775638 0.463961823171 0.692077794891} Si40 63 0.0 1 14 {} {0.594545755472 0.229180298329 0.814966295487} Si41 64 0.0 1 8 {} {0.861996378833 0.589383253821 0.0441516023424} O13 65 0.0 1 1 {} {0.762431058584 0.593405718728 0.104965346526} H12 66 0.0 1 8 {} {0.592711081829 0.594668528505 0.742925591706} O14 67 0.0 1 14 {} {0.600256914459 0.659773411 0.740200930963} Si42 68 0.0 1 8 {} {0.833767121704 0.176865959796 0.0410311984675} O15 69 0.0 1 1 {} {0.43259707246 0.173350635077 0.101244126848} H13 70 0.0 1 8 {} {0.583637122294 0.178297248492 0.714851386789} O16 71 0.0 1 1 {} {0.682946982593 0.174922698068 0.65472392366} H14 72 0.0 1 7 {} {0.4657426977 0.685949073453 0.634695156149} N 73 0.0 1 1 {} {0.454320447815 0.732075141998 0.641590081985} H16 74 0.0 1 9 {} {0.803314371098 0.674313225459 0.721433785275} F4 75 0.0 1 9 {} {0.361959673854 0.681086817461 0.38651654564} F5 76 0.0 1 9 {} {0.556193730717 0.68075015036 0.875826333354} F3 77 0.0 1 9 {} {0.143440215972 0.668317268869 0.550525411784} F1 78 0.0 1 9 {} {0.427453495165 0.79226356084 0.665125878908} F2 79 0.0 1 9 {} {0.567742555883 0.761694347993 0.537761519466} 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 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 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 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 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 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 41 44 {0 0 0} 0 83 70 71 {0 0 0} 0 84 16 9 {0 0 0} 0 85 2 9 {0 0 0} 0 86 69 32 {0 0 0} 0 87 39 37 {0 0 0} 0 88 22 64 {0 0 1} 0 89 27 34 {0 0 0} 0 90 20 18 {-1 0 0} 0 91 55 36 {0 0 1} 0 92 43 14 {0 0 0} 0 93 46 4 {0 0 0} 0 94 23 30 {0 0 0} 0 95 60 37 {0 0 0} 0 96 12 5 {0 0 0} 0 97 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