#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 WyckoffPosition int -1 @end @data 6 {} {0.35108889565 0.555079016762 0.421933851959} C1 1 1 14 {} {0.332022158479 0.522022486103 0.53298208033} Si1 2 1 14 {} {0.406311391988 0.597228941052 0.417732311961} Si2 3 1 8 {} {0.335342785685 0.582260047426 0.608259143479} O1 4 1 8 {} {0.279102787172 0.500003894097 0.524978092809} O2 5 1 6 {} {0.363683935886 0.446060348789 0.568374671431} C2 6 1 6 {} {0.455407222708 0.539637605538 0.411448356177} C3 7 1 8 {} {0.407926739387 0.641650994273 0.512806445916} O3 8 1 8 {} {0.406648188893 0.6481688163 0.329990262357} O4 9 1 14 {} {0.22679503251 0.50564365046 0.555566909792} Si3 10 1 7 {} {0.207149591607 0.426962654525 0.58700236548} N1 11 1 14 {} {0.171144716209 0.422700679771 0.678931958009} Si4 12 1 14 {} {0.222766345817 0.356954208644 0.522964412389} Si5 13 1 7 {} {0.223978067118 0.369229792339 0.409346604358} N2 14 1 7 {} {0.123604168248 0.470969481495 0.67182868908} N3 15 1 1 {} {0.350660052727 0.514644258585 0.371901951515} H1 16 1 1 {} {0.326144183395 0.592202508791 0.399894480696} H2 17 1 1 {} {0.359095544452 0.614446603103 0.595105118929} H3 18 1 1 {} {0.360367786514 0.405063024849 0.519884170612} H4 19 1 1 {} {0.351037002176 0.428000191036 0.632893074573} H5 20 1 1 {} {0.399392797013 0.457090808119 0.576626038378} H6 21 1 1 {} {0.48719251081 0.567284676417 0.410688405592} H7 22 1 1 {} {0.453995505606 0.509038594417 0.350477216495} H8 23 1 1 {} {0.456381027982 0.505463029133 0.468876047538} H9 24 1 1 {} {0.433162982663 0.671008758535 0.523061568503} H10 25 1 1 {} {0.434991445059 0.656860269913 0.301114821815} H11 26 1 1 {} {0.221039364862 0.551346524231 0.633561982634} H12 27 1 1 {} {0.201301879501 0.532279167418 0.477845121845} H13 28 1 1 {} {0.158285466001 0.350981999323 0.687129939932} H14 29 1 1 {} {0.19421227008 0.44708466019 0.76077490988} H15 30 1 1 {} {0.268695160735 0.335290757516 0.547920072617} H16 31 1 1 {} {0.189634078369 0.303558063683 0.54337201815} H17 32 1 1 {} {0.250397056955 0.393328638742 0.381490684418} H18 33 1 1 {} {0.195497917587 0.380053102922 0.375462715833} H19 34 1 1 {} {0.123452435444 0.518603080635 0.695450642073} H20 35 1 1 {} {0.100965364212 0.465035455994 0.622007999889} H21 36 1 6 {} {0.590856897598 0.327616453312 0.309992674021} C4 37 1 14 {} {0.586083227793 0.361084492985 0.426992079731} Si6 38 1 14 {} {0.5749211085 0.238568450251 0.292006096531} Si7 39 1 8 {} {0.614691055221 0.31199484122 0.495033485126} O5 40 1 8 {} {0.608746389058 0.436092470319 0.432026774249} O6 41 1 6 {} {0.526824306914 0.369875425533 0.463582916174} C5 42 1 6 {} {0.514027823387 0.227836517864 0.268430549537} C6 43 1 8 {} {0.590149853718 0.199870161745 0.3863015756} O7 44 1 8 {} {0.604698284792 0.201721490565 0.212084250309} O8 45 1 14 {} {0.652459507635 0.481006851868 0.460664285783} Si8 46 1 7 {} {0.636969971426 0.562078254987 0.48770410246} N4 47 1 14 {} {0.643368990768 0.589737369297 0.598036627799} Si9 48 1 14 {} {0.612997208516 0.615727292395 0.408612379832} Si10 49 1 7 {} {0.624141253868 0.596317707813 0.299116830707} N5 50 1 7 {} {0.696265946739 0.609651256883 0.634575953488} N6 51 1 1 {} {0.571450419691 0.359401062195 0.264038236034} H22 52 1 1 {} {0.626192615938 0.332747413244 0.290409406578} H23 53 1 1 {} {0.613180012199 0.264882538112 0.477461756569} H24 54 1 1 {} {0.507727229057 0.402870458692 0.419003304912} H25 55 1 1 {} {0.525592256429 0.391331624831 0.531109165038} H26 56 1 1 {} {0.510020292029 0.32098187212 0.465896222468} H27 57 1 1 {} {0.504747852957 0.174710411887 0.263829630407} H28 58 1 1 {} {0.504716914654 0.252001119254 0.205103235642} H29 59 1 1 {} {0.493621870609 0.25069217981 0.321238859629} H30 60 1 1 {} {0.592972215887 0.151548324065 0.383982179144} H31 61 1 1 {} {0.591434403305 0.197532119657 0.153443400297} H32 62 1 1 {} {0.674493485857 0.452241329302 0.541320953308} H33 63 1 1 {} {0.684135334777 0.480610354676 0.383964436051} H34 64 1 1 {} {0.615910420274 0.651847133109 0.604608649552} H35 65 1 1 {} {0.627065221541 0.536696318612 0.659719841403} H36 66 1 1 {} {0.563277199075 0.615028314351 0.41632241674} H37 67 1 1 {} {0.630033526234 0.684541868314 0.426607773305} H38 68 1 1 {} {0.607649353147 0.558028950331 0.268920775952} H39 69 1 1 {} {0.65577763777 0.599990709645 0.274773877797} H40 70 1 1 {} {0.717569410524 0.57240807511 0.652213005864} H41 71 1 1 {} {0.713188610477 0.648618323038 0.607273449747} 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