#MD System 2.0 @Title neb0_image07 @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 {} {0.218142334255 0.52632167097 0.331001778457} C1 1 1 14 {} {0.272093739046 0.489357304839 0.289224763814} Si1 2 1 14 {} {0.171461659714 0.534818297071 0.25000470365} Si2 3 1 8 {} {0.284685851509 0.52242116454 0.191390342814} O1 4 1 8 {} {0.312064761734 0.509675001067 0.360125610913} O2 5 1 6 {} {0.270132831911 0.396162111724 0.2821599156} C2 6 1 6 {} {0.13993014937 0.455094812331 0.232271507782} C3 7 1 8 {} {0.195965218652 0.560697348523 0.155749662208} O3 8 1 8 {} {0.136116637777 0.595900661549 0.276957797414} O4 9 1 14 {} {0.363561162591 0.538523560202 0.365181876161} Si3 10 1 7 {} {0.39806832768 0.475501354811 0.407052638733} N1 11 1 14 {} {0.451885519316 0.4733045975 0.364846542657} Si4 12 1 14 {} {0.377834529643 0.421441008597 0.489897114094} Si5 13 1 7 {} {0.348762608915 0.459207793191 0.575140007636} N2 14 1 7 {} {0.472025016568 0.554277859846 0.368139474644} N3 15 1 1 {} {0.206551975693 0.497697654271 0.389486388501} H1 16 1 1 {} {0.226005221445 0.577142258307 0.355181279162} H2 17 1 1 {} {0.259161190295 0.542532252904 0.160639710204} H3 18 1 1 {} {0.264976041723 0.373168780086 0.347991784386} H4 19 1 1 {} {0.30184975096 0.377117516204 0.255403129351} H5 20 1 1 {} {0.243356289368 0.379044352736 0.237472250567} H6 21 1 1 {} {0.113411615384 0.461277082391 0.182214325815} H7 22 1 1 {} {0.124390782146 0.437341886231 0.294455478522} H8 23 1 1 {} {0.162336989931 0.415287844856 0.208652645263} H9 24 1 1 {} {0.177463252125 0.583738092718 0.112507237594} H10 25 1 1 {} {0.107732938353 0.583567212956 0.303018939791} H11 26 1 1 {} {0.379925441614 0.558503236243 0.275385414485} H12 27 1 1 {} {0.362437248379 0.597335609066 0.426272715836} H13 28 1 1 {} {0.476762030742 0.422120990105 0.418373076032} H14 29 1 1 {} {0.454866558924 0.456363495123 0.268758261266} H15 30 1 1 {} {0.346454481987 0.372271890836 0.449395473863} H16 31 1 1 {} {0.417386253759 0.387186095268 0.528881234652} H17 32 1 1 {} {0.317176894814 0.475703586959 0.564116183544} H18 33 1 1 {} {0.364781108686 0.489601404691 0.619054650031} H19 34 1 1 {} {0.497002658031 0.5684475477 0.326338464353} H20 35 1 1 {} {0.47768648189 0.576232593117 0.428222790001} H21 36 1 6 {} {0.642257417686 0.639607676249 0.481608167625} C4 37 1 14 {} {0.603202225475 0.575924410885 0.434231212456} Si6 38 1 14 {} {0.6396926564 0.726145929521 0.436815627691} Si7 39 1 8 {} {0.599965229608 0.584041910939 0.324431335457} O5 40 1 8 {} {0.62228426278 0.500900848229 0.45800238603} O6 41 1 6 {} {0.547262973585 0.582717744398 0.485566845425} C5 42 1 6 {} {0.592103320266 0.77660470252 0.48155582447} C6 43 1 8 {} {0.635336834644 0.715371311162 0.326330371571} O7 44 1 8 {} {0.687275872559 0.767538960591 0.452474956016} O8 45 1 14 {} {0.632832642158 0.423008763422 0.430196485175} Si8 46 1 7 {} {0.587539704887 0.370868271231 0.448307759936} N4 47 1 14 {} {0.568074012563 0.321490224216 0.359773137472} Si9 48 1 14 {} {0.562773257083 0.367551759168 0.55454848906} Si10 49 1 7 {} {0.598117918993 0.386298440645 0.641498488376} N5 50 1 7 {} {0.602974125972 0.25886724888 0.32232846603} N6 51 1 1 {} {0.637898442055 0.641019228698 0.554634613068} H22 52 1 1 {} {0.67622956591 0.620801978565 0.469219506478} H23 53 1 1 {} {0.612524163973 0.626240011153 0.30236389827} H24 54 1 1 {} {0.546176232477 0.572167539554 0.557189599791} H25 55 1 1 {} {0.526909675299 0.544035953897 0.45409915753} H26 56 1 1 {} {0.531523108937 0.631374415216 0.472504975739} H27 57 1 1 {} {0.591342143497 0.827034728535 0.452143049292} H28 58 1 1 {} {0.594149755177 0.782136110693 0.554496044259} H29 59 1 1 {} {0.56002802837 0.752472827618 0.466351179616} H30 60 1 1 {} {0.643395106706 0.752771141101 0.288398384508} H31 61 1 1 {} {0.687643820539 0.802572086793 0.497099628033} H32 62 1 1 {} {0.644393665207 0.418026004101 0.333414189707} H33 63 1 1 {} {0.672044736421 0.402738383871 0.484957768178} H34 64 1 1 {} {0.526232216168 0.289689586368 0.392651128319} H35 65 1 1 {} {0.559808637596 0.364508387346 0.28028829954} H36 66 1 1 {} {0.525696021495 0.41697568343 0.561299519457} H37 67 1 1 {} {0.545650499788 0.298099985465 0.566562918042} H38 68 1 1 {} {0.604636763959 0.434899815545 0.656738216921} H39 69 1 1 {} {0.62512773303 0.357193219519 0.654899027922} H40 70 1 1 {} {0.627603401348 0.270036808579 0.278210346702} H41 71 1 1 {} {0.612526128405 0.221184917018 0.363651956589} 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