#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 {} {0.210562245377 0.527781267226 0.318366944879} C1 1 1 14 {} {0.264345914156 0.490522327335 0.276672600768} Si1 2 1 14 {} {0.163902648973 0.536155688047 0.237517091597} Si2 3 1 8 {} {0.276735543447 0.522669574986 0.178202231346} O1 4 1 8 {} {0.304280517482 0.511280453435 0.347449689399} O2 5 1 6 {} {0.262426828905 0.397374972593 0.270004005199} C2 6 1 6 {} {0.132276627626 0.456510707573 0.219944679166} C3 7 1 8 {} {0.188260924584 0.56217465634 0.143223751549} O3 8 1 8 {} {0.128545844299 0.596960429566 0.265215698425} O4 9 1 14 {} {0.355756355766 0.540194911767 0.353014693285} Si3 10 1 7 {} {0.390248305663 0.476951219077 0.394530170877} N1 11 1 14 {} {0.444053415688 0.47486420948 0.351450246384} Si4 12 1 14 {} {0.37018543242 0.422700909818 0.477526818955} Si5 13 1 7 {} {0.340965125828 0.460447834995 0.562856136202} N2 14 1 7 {} {0.463989202267 0.555911236266 0.354498573143} N3 15 1 1 {} {0.198929505369 0.499181169896 0.37682101745} H1 16 1 1 {} {0.218529968507 0.578608460333 0.342401137602} H2 17 1 1 {} {0.251495748306 0.543926641358 0.147871876971} H3 18 1 1 {} {0.257201225313 0.37418052068 0.335645270741} H4 19 1 1 {} {0.294111671453 0.378220209891 0.243289584504} H5 20 1 1 {} {0.235655796366 0.380495902194 0.225184130528} H6 21 1 1 {} {0.105785957435 0.462907855338 0.169863266561} H7 22 1 1 {} {0.116668785267 0.438943910566 0.282188545196} H8 23 1 1 {} {0.154567284033 0.41654125733 0.196365513097} H9 24 1 1 {} {0.169669680084 0.585305274368 0.100190321967} H10 25 1 1 {} {0.100097477315 0.584495785978 0.290929609808} H11 26 1 1 {} {0.372254813335 0.560081326359 0.263396156551} H12 27 1 1 {} {0.354736839998 0.598853885665 0.414148092282} H13 28 1 1 {} {0.469051585349 0.423937231178 0.405329426527} H14 29 1 1 {} {0.446719006771 0.456361474056 0.25546968492} H15 30 1 1 {} {0.338802496288 0.373545598395 0.436964491661} H16 31 1 1 {} {0.409812585463 0.388502766724 0.516305450614} H17 32 1 1 {} {0.309389213421 0.476986370398 0.551603303881} H18 33 1 1 {} {0.356900255833 0.491110898094 0.606635175189} H19 34 1 1 {} {0.489467973253 0.568899164947 0.312803668933} H20 35 1 1 {} {0.469000342017 0.577848021574 0.41484770538} H21 36 1 6 {} {0.650468535973 0.638563271793 0.49398182124} C4 37 1 14 {} {0.611166151986 0.574753412097 0.447430722194} Si6 38 1 14 {} {0.64747638577 0.725007424439 0.448921325903} Si7 39 1 8 {} {0.606893509903 0.583000549449 0.337786574665} O5 40 1 8 {} {0.630649971098 0.499724226579 0.470685875316} O6 41 1 6 {} {0.55505731784 0.580892594887 0.499424094924} C5 42 1 6 {} {0.599756820486 0.775363003182 0.493713012896} C6 43 1 8 {} {0.643593764236 0.713808856212 0.33846936533} O7 44 1 8 {} {0.694882326647 0.766708081314 0.464646947109} O8 45 1 14 {} {0.640663553446 0.42165351241 0.442892400235} Si8 46 1 7 {} {0.595158210052 0.369714783499 0.460831518348} N4 47 1 14 {} {0.575627959283 0.320392409384 0.372068156677} Si9 48 1 14 {} {0.570477754628 0.366045629949 0.56721442327} Si10 49 1 7 {} {0.605737362896 0.384896086482 0.654207580161} N5 50 1 7 {} {0.610519656237 0.257637933138 0.334539007232} N6 51 1 1 {} {0.645860758833 0.639703716827 0.566927281851} H22 52 1 1 {} {0.684564390244 0.620166654748 0.481617470974} H23 53 1 1 {} {0.619934746649 0.624553292999 0.314802015494} H24 54 1 1 {} {0.55460080786 0.571835486373 0.571733031936} H25 55 1 1 {} {0.534862982672 0.541753372021 0.467647564937} H26 56 1 1 {} {0.539501379312 0.629678132614 0.485926524743} H27 57 1 1 {} {0.598985988105 0.825829988897 0.464325527807} H28 58 1 1 {} {0.601828112369 0.78091751433 0.566697551611} H29 59 1 1 {} {0.567608430494 0.751344621819 0.478744167628} H30 60 1 1 {} {0.651133826001 0.751394981768 0.300447320081} H31 61 1 1 {} {0.695300644932 0.801429601418 0.509596723497} H32 62 1 1 {} {0.652084869276 0.416765216719 0.346055596197} H33 63 1 1 {} {0.679870065619 0.401289463121 0.497737560123} H34 64 1 1 {} {0.533870144915 0.288481707769 0.404831922847} H35 65 1 1 {} {0.567398855312 0.363204108592 0.292448410058} H36 66 1 1 {} {0.533164155105 0.415213007933 0.573951814965} H37 67 1 1 {} {0.553498997275 0.296406773237 0.578809416029} H38 68 1 1 {} {0.612262113194 0.433578474395 0.668834042893} H39 69 1 1 {} {0.632816804037 0.35595093983 0.667454927998} H40 70 1 1 {} {0.635095449822 0.268611554013 0.290167235025} H41 71 1 1 {} {0.619921850836 0.219598394031 0.375512457483} 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