#MD System 2.0 @Title neb0_image04 @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 {} {0.211323382761 0.527564674286 0.318717491752} C1 1 1 14 {} {0.264837021806 0.489783134511 0.277201812189} Si1 2 1 14 {} {0.164489768836 0.536022782967 0.238456904107} Si2 3 1 8 {} {0.276959804495 0.520100183309 0.177574356511} O1 4 1 8 {} {0.304274325518 0.51210843843 0.348038157053} O2 5 1 6 {} {0.262923462155 0.396601855602 0.271693044719} C2 6 1 6 {} {0.13285450903 0.456404451234 0.220931124572} C3 7 1 8 {} {0.188573449642 0.562570130246 0.14413808412} O3 8 1 8 {} {0.129071359539 0.596483124072 0.267546536085} O4 9 1 14 {} {0.355838101837 0.540348820261 0.353680329969} Si3 10 1 7 {} {0.389876362267 0.476196281682 0.394246027737} N1 11 1 14 {} {0.442949121448 0.473977767254 0.347878882311} Si4 12 1 14 {} {0.370496927695 0.422233668291 0.478196504343} Si5 13 1 7 {} {0.341395363017 0.46002780556 0.563621975845} N2 14 1 7 {} {0.460214784056 0.556389584765 0.345333037602} N3 15 1 1 {} {0.199710528916 0.499455310025 0.37763029952} H1 16 1 1 {} {0.21952138544 0.578410105056 0.342404818915} H2 17 1 1 {} {0.252098488951 0.543063464295 0.148403305411} H3 18 1 1 {} {0.257434364051 0.373295220178 0.337167727419} H4 19 1 1 {} {0.294528588935 0.377284335289 0.244885074476} H5 20 1 1 {} {0.236185858796 0.380071448326 0.226489848436} H6 21 1 1 {} {0.1064031976 0.4630662943 0.170905351448} H7 22 1 1 {} {0.117161417916 0.439325843096 0.283314551418} H8 23 1 1 {} {0.154848054929 0.416004240908 0.19763662133} H9 24 1 1 {} {0.169855461121 0.585684742165 0.101326502116} H10 25 1 1 {} {0.10071502683 0.583001947993 0.292747665401} H11 26 1 1 {} {0.372358525755 0.560595959087 0.264327178365} H12 27 1 1 {} {0.355145732221 0.598586128072 0.415895575762} H13 28 1 1 {} {0.469805692547 0.426456848614 0.403216156816} H14 29 1 1 {} {0.444972421394 0.450499481568 0.253255440916} H15 30 1 1 {} {0.339209644707 0.372603202555 0.438705070439} H16 31 1 1 {} {0.410285452674 0.388578976534 0.516994156667} H17 32 1 1 {} {0.309746273509 0.476268052531 0.552343045701} H18 33 1 1 {} {0.356979562035 0.491032946734 0.607452797207} H19 34 1 1 {} {0.488632365548 0.566897415368 0.310558180458} H20 35 1 1 {} {0.461008070193 0.58072581641 0.405022777682} H21 36 1 6 {} {0.652397546107 0.639807399891 0.493184770907} C4 37 1 14 {} {0.612484233986 0.575475203263 0.449586220541} Si6 38 1 14 {} {0.647644110774 0.726076994371 0.447324816263} Si7 39 1 8 {} {0.604273930477 0.584042173631 0.340985258205} O5 40 1 8 {} {0.632418642083 0.500247916628 0.470445316075} O6 41 1 6 {} {0.557396888301 0.580514733472 0.505912380929} C5 42 1 6 {} {0.599312458392 0.775554293618 0.491801326794} C6 43 1 8 {} {0.644020698312 0.713928256665 0.33713300846} O7 44 1 8 {} {0.694475973914 0.769368054483 0.462624031276} O8 45 1 14 {} {0.640662485319 0.421840932012 0.442422954009} Si8 46 1 7 {} {0.594651806905 0.370650941425 0.459770719971} N4 47 1 14 {} {0.574961059039 0.321331663478 0.370966102764} Si9 48 1 14 {} {0.570102969139 0.365815109829 0.566441133662} Si10 49 1 7 {} {0.605206751199 0.38511782352 0.653392767867} N5 50 1 7 {} {0.609610467964 0.258300744228 0.333146949171} N6 51 1 1 {} {0.647420168912 0.641085534373 0.566008032586} H22 52 1 1 {} {0.686993670135 0.623206038049 0.481446932381} H23 53 1 1 {} {0.618146775416 0.623825072257 0.314961842844} H24 54 1 1 {} {0.558660186298 0.575505730669 0.57902510808} H25 55 1 1 {} {0.538114806723 0.538221672479 0.478831517023} H26 56 1 1 {} {0.540073906035 0.627096904229 0.489045955802} H27 57 1 1 {} {0.598455063241 0.826135801586 0.462683756609} H28 58 1 1 {} {0.601547686005 0.781339357513 0.564680110174} H29 59 1 1 {} {0.567036751438 0.75181824554 0.47728477482} H30 60 1 1 {} {0.650710385621 0.751499045369 0.298470816323} H31 61 1 1 {} {0.694701894085 0.802829618762 0.50931549166} H32 62 1 1 {} {0.651755182386 0.416832826582 0.345516290853} H33 63 1 1 {} {0.679543719205 0.400502317647 0.497367744977} H34 64 1 1 {} {0.533211749245 0.289266957862 0.403874497666} H35 65 1 1 {} {0.566780601363 0.364003471757 0.291311891682} H36 66 1 1 {} {0.53233899942 0.414148296372 0.57389300039} H37 67 1 1 {} {0.553499167109 0.295938408182 0.577667634773} H38 68 1 1 {} {0.61150730382 0.433855101445 0.667555207481} H39 69 1 1 {} {0.632312463532 0.356392123305 0.666779766584} H40 70 1 1 {} {0.634014385551 0.268686170944 0.288089652267} H41 71 1 1 {} {0.618549029161 0.219321457685 0.37292394167} 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