#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 {} {0.217446858761 0.526369303237 0.329395183616} C1 1 1 14 {} {0.271345629213 0.489233756685 0.288178003327} Si1 2 1 14 {} {0.171028927144 0.534710185005 0.249266791626} Si2 3 1 8 {} {0.283714231352 0.519195997426 0.188549283019} O1 4 1 8 {} {0.309354646056 0.512730205397 0.360397012664} O2 5 1 6 {} {0.269886336044 0.39582774128 0.282582628543} C2 6 1 6 {} {0.139576243767 0.455046166913 0.231086861548} C3 7 1 8 {} {0.195435752228 0.562335829907 0.155615762125} O3 8 1 8 {} {0.135150292844 0.595070631037 0.278232739298} O4 9 1 14 {} {0.360788468716 0.53863667933 0.362755210612} Si3 10 1 7 {} {0.393465735867 0.472144311174 0.401530049759} N1 11 1 14 {} {0.445210593378 0.471944030688 0.348604420846} Si4 12 1 14 {} {0.376414905206 0.420022728944 0.487710388527} Si5 13 1 7 {} {0.348138599783 0.458908427272 0.574911850124} N2 14 1 7 {} {0.453230045457 0.555902023722 0.331188251963} N3 15 1 1 {} {0.206369145949 0.498050952444 0.388447546853} H1 16 1 1 {} {0.226060324339 0.577022544757 0.353144273161} H2 17 1 1 {} {0.258926716385 0.542410839569 0.158889986543} H3 18 1 1 {} {0.264563829312 0.37247749894 0.348303495814} H4 19 1 1 {} {0.301595580468 0.376478645192 0.255771002336} H5 20 1 1 {} {0.24312319095 0.378882172226 0.2375348356} H6 21 1 1 {} {0.113066294846 0.461628154382 0.181326845282} H7 22 1 1 {} {0.123992796331 0.438067325506 0.293539313761} H8 23 1 1 {} {0.161545500363 0.414625281578 0.207840466319} H9 24 1 1 {} {0.176709239234 0.58435035572 0.112147808748} H10 25 1 1 {} {0.107144685677 0.581459982024 0.303934019733} H11 26 1 1 {} {0.376969213947 0.55852428596 0.273913126361} H12 27 1 1 {} {0.362654242017 0.596738246705 0.426136586422} H13 28 1 1 {} {0.476256162861 0.435730938372 0.405366263727} H14 29 1 1 {} {0.448260278273 0.437216261811 0.255835644514} H15 30 1 1 {} {0.345186753039 0.369827976333 0.452846578546} H16 31 1 1 {} {0.416609259553 0.387780207548 0.528056221459} H17 32 1 1 {} {0.316491520137 0.475806132225 0.564123677116} H18 33 1 1 {} {0.3636470309 0.4900581482 0.618721988814} H19 34 1 1 {} {0.485286577225 0.565726659416 0.316109987139} H20 35 1 1 {} {0.443381174666 0.58473541484 0.381434472605} H21 36 1 6 {} {0.651279484994 0.641430223162 0.48266714932} C4 37 1 14 {} {0.61121239486 0.578143721002 0.443339305975} Si6 38 1 14 {} {0.642521894186 0.72745954912 0.436673602314} Si7 39 1 8 {} {0.595916594941 0.586878652161 0.338086006668} O5 40 1 8 {} {0.629015596831 0.50138585284 0.459573420143} O6 41 1 6 {} {0.560242145618 0.580673276844 0.512941423479} C5 42 1 6 {} {0.592971572526 0.775805710888 0.480906835653} C6 43 1 8 {} {0.637777703817 0.715281722849 0.326183827328} O7 44 1 8 {} {0.688346910979 0.77343785315 0.450280247462} O8 45 1 14 {} {0.634625112205 0.421989040904 0.429614752092} Si8 46 1 7 {} {0.588338050651 0.372862793137 0.452102090745} N4 47 1 14 {} {0.567460725862 0.321787525679 0.358558292043} Si9 48 1 14 {} {0.56388892996 0.366269144275 0.555447774227} Si10 49 1 7 {} {0.597748683512 0.385392057863 0.640823545798} N5 50 1 7 {} {0.603218018766 0.258483450094 0.322216292077} N6 51 1 1 {} {0.644156029082 0.643127125979 0.554753671846} H22 52 1 1 {} {0.687058557355 0.62950058958 0.474523321369} H23 53 1 1 {} {0.609652688079 0.623769448145 0.306615641484} H24 54 1 1 {} {0.563813709214 0.585795736681 0.585284673103} H25 55 1 1 {} {0.545733870536 0.532676128667 0.495786316218} H26 56 1 1 {} {0.537099164297 0.621980071811 0.488035560798} H27 57 1 1 {} {0.591818570477 0.82643356683 0.451926012235} H28 58 1 1 {} {0.594902816027 0.782044721385 0.553855671859} H29 59 1 1 {} {0.560490680076 0.752474734153 0.466496977463} H30 60 1 1 {} {0.643819817584 0.752795123851 0.286631761714} H31 61 1 1 {} {0.68815252506 0.805693832695 0.49927435534} H32 62 1 1 {} {0.644660174993 0.416919757156 0.334626772258} H33 63 1 1 {} {0.673494520845 0.40022743407 0.485967088818} H34 64 1 1 {} {0.526704777534 0.289639002201 0.393610402711} H35 65 1 1 {} {0.560229337461 0.364442550067 0.281761467491} H36 66 1 1 {} {0.526016847817 0.41648602422 0.565254183252} H37 67 1 1 {} {0.546230929666 0.297778556715 0.567344164675} H38 68 1 1 {} {0.604942861582 0.435941384283 0.65900038546} H39 69 1 1 {} {0.626945440056 0.356671386466 0.656961064795} H40 70 1 1 {} {0.627171367057 0.269780238478 0.277617680198} H41 71 1 1 {} {0.611992652741 0.220169012752 0.361637420277} 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