#MD System 2.0 @Title neb0_image06 @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 {} {0.215462306422 0.526808874193 0.326651344006} C1 1 1 14 {} {0.269411234205 0.489825536632 0.284854946644} Si1 2 1 14 {} {0.168770812008 0.535280865421 0.245642736478} Si2 3 1 8 {} {0.282006392856 0.522957197598 0.18704549403} O1 4 1 8 {} {0.30939581529 0.510141737679 0.355782214236} O2 5 1 6 {} {0.267442489045 0.396648856766 0.277810325324} C2 6 1 6 {} {0.137226774641 0.455579922176 0.227906374299} C3 7 1 8 {} {0.193281811268 0.561156843723 0.151406239309} O3 8 1 8 {} {0.133425968702 0.596390746552 0.272575887617} O4 9 1 14 {} {0.360903857626 0.538998412333 0.360929902156} Si3 10 1 7 {} {0.395653831854 0.476103679116 0.402518551686} N1 11 1 14 {} {0.449568325425 0.474413216909 0.361072298466} Si4 12 1 14 {} {0.375163116366 0.422015500886 0.485505155691} Si5 13 1 7 {} {0.346107557509 0.459698111052 0.570717849346} N2 14 1 7 {} {0.470785713325 0.554108677344 0.366260077855} N3 15 1 1 {} {0.203865298947 0.498197300114 0.385126717764} H1 16 1 1 {} {0.223309226045 0.577626017023 0.350834507283} H2 17 1 1 {} {0.256471408157 0.543026379031 0.15630311495} H3 18 1 1 {} {0.262289121206 0.373670448784 0.343659151664} H4 19 1 1 {} {0.299166448726 0.37761876261 0.251043379809} H5 20 1 1 {} {0.240670229621 0.37953417837 0.233126989019} H6 21 1 1 {} {0.11071697494 0.46176694841 0.177857610383} H7 22 1 1 {} {0.121703281918 0.437827949743 0.29010106186} H8 23 1 1 {} {0.159650326463 0.415780649851 0.204291804432} H9 24 1 1 {} {0.174790599011 0.584215370327 0.108179038217} H10 25 1 1 {} {0.105050164271 0.584083204452 0.298652239524} H11 26 1 1 {} {0.377244053816 0.558997530755 0.271035457943} H12 27 1 1 {} {0.359732992838 0.597851460324 0.421931785851} H13 28 1 1 {} {0.474089307788 0.422293061998 0.414241601129} H14 29 1 1 {} {0.452189472288 0.457167415175 0.26488206474} H15 30 1 1 {} {0.343750592109 0.372746482353 0.445050798271} H16 31 1 1 {} {0.414702581105 0.38765979983 0.524589741224} H17 32 1 1 {} {0.314501603416 0.476197644015 0.559784622295} H18 33 1 1 {} {0.362096850654 0.490087693304 0.614690237764} H19 34 1 1 {} {0.494797519354 0.569225750655 0.321934433359} H20 35 1 1 {} {0.476867385988 0.576565682584 0.426230810111} H21 36 1 6 {} {0.644753944251 0.638987806785 0.485961463109} C4 37 1 14 {} {0.605389628643 0.575234861081 0.438505530445} Si6 38 1 14 {} {0.642397021979 0.725664158839 0.441190156086} Si7 39 1 8 {} {0.602834472383 0.583433224694 0.328420334156} O5 40 1 8 {} {0.62493078173 0.500524431691 0.462400527928} O6 41 1 6 {} {0.548963989889 0.581376634405 0.488565140066} C5 42 1 6 {} {0.594787153742 0.776136477778 0.485876600845} C6 43 1 8 {} {0.638080172967 0.714869153046 0.330662903639} O7 44 1 8 {} {0.689935497409 0.767011224863 0.456861342425} O8 45 1 14 {} {0.63548229116 0.422450827755 0.434392461428} Si8 46 1 7 {} {0.590269242177 0.370489315778 0.453008536959} N4 47 1 14 {} {0.570761543402 0.320882741857 0.364026735459} Si9 48 1 14 {} {0.565291896398 0.367039528998 0.558406316936} Si10 49 1 7 {} {0.600841890536 0.385844933956 0.64607614333} N5 50 1 7 {} {0.60564786775 0.258488702578 0.32679813834} N6 51 1 1 {} {0.640581673257 0.640550370931 0.559084776797} H22 52 1 1 {} {0.678797473652 0.62025160449 0.473578063102} H23 53 1 1 {} {0.615272237412 0.625856372153 0.306632661696} H24 54 1 1 {} {0.548483052169 0.571502629574 0.559799420154} H25 55 1 1 {} {0.527495903536 0.544200440208 0.456638466838} H26 56 1 1 {} {0.533848797609 0.631278164838 0.476473522414} H27 57 1 1 {} {0.594022319619 0.826542782526 0.456502381628} H28 58 1 1 {} {0.596837292848 0.781634992526 0.558839002074} H29 59 1 1 {} {0.562705840679 0.75195989871 0.47069762161} H30 60 1 1 {} {0.646090904806 0.752306526044 0.292736729918} H31 61 1 1 {} {0.690327509894 0.802061275877 0.501449930353} H32 62 1 1 {} {0.647089817608 0.417520074058 0.337751180016} H33 63 1 1 {} {0.674734303018 0.402211197708 0.489324398131} H34 64 1 1 {} {0.528892991047 0.289184610891 0.396997798345} H35 65 1 1 {} {0.562485033501 0.364050826408 0.284537853789} H36 66 1 1 {} {0.528383778098 0.416454070314 0.565499766503} H37 67 1 1 {} {0.548346127275 0.297629184004 0.570924691263} H38 68 1 1 {} {0.607327395713 0.434479903211 0.661102418693} H39 69 1 1 {} {0.627827353293 0.356659360351 0.65925926182} H40 70 1 1 {} {0.630284410942 0.269533087051 0.282596677305} H41 71 1 1 {} {0.615214811419 0.220733657127 0.368002595834} 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