#MD System 2.0 @Title neb0_image08 @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 {} {0.220937973973 0.525812341013 0.335515481585} C1 1 1 14 {} {0.274885239551 0.488816482053 0.293709150772} Si1 2 1 14 {} {0.174260921727 0.534284504488 0.254483313963} Si2 3 1 8 {} {0.287451834687 0.52189433654 0.195907334067} O1 4 1 8 {} {0.314832837046 0.50919349083 0.364607931776} O2 5 1 6 {} {0.272908124482 0.395632537183 0.286656736333} C2 6 1 6 {} {0.14269718627 0.454580702865 0.236770531411} C3 7 1 8 {} {0.198761011294 0.560212446113 0.160256033119} O3 8 1 8 {} {0.138901546137 0.595344835292 0.281430339404} O4 9 1 14 {} {0.366348421255 0.538009201638 0.369645302125} Si3 10 1 7 {} {0.400587600278 0.474886453932 0.411811903748} N1 11 1 14 {} {0.453761213734 0.471604995716 0.36813916402} Si4 12 1 14 {} {0.380567646779 0.420998753337 0.494593995203} Si5 13 1 7 {} {0.351503460468 0.458720503942 0.579748899977} N2 14 1 7 {} {0.472068104403 0.554766628859 0.36840814925} N3 15 1 1 {} {0.209327140136 0.49718462795 0.393977926304} H1 16 1 1 {} {0.228786102901 0.576645397315 0.359673980625} H2 17 1 1 {} {0.261934891604 0.54202469064 0.165120856979} H3 18 1 1 {} {0.267746693906 0.372651201658 0.352483801479} H4 19 1 1 {} {0.304617327217 0.376589583389 0.259907110785} H5 20 1 1 {} {0.246128111798 0.378537316374 0.241968735231} H6 21 1 1 {} {0.116184250457 0.460777317437 0.186704979462} H7 22 1 1 {} {0.127158134874 0.436832416737 0.29896384428} H8 23 1 1 {} {0.165101028505 0.414778387939 0.21314907223} H9 24 1 1 {} {0.18022963568 0.583229822611 0.117001288978} H10 25 1 1 {} {0.110506222425 0.583047549878 0.307521802921} H11 26 1 1 {} {0.382674256172 0.557997095817 0.27994702547} H12 27 1 1 {} {0.365217959527 0.596805347122 0.43075650079} H13 28 1 1 {} {0.479525958502 0.422047705926 0.422578238931} H14 29 1 1 {} {0.457671745226 0.455551880941 0.272802406454} H15 30 1 1 {} {0.349264901656 0.371805252464 0.453877059669} H16 31 1 1 {} {0.420170333551 0.386699842945 0.533294188867} H17 32 1 1 {} {0.31999395913 0.475173075204 0.568590315426} H18 33 1 1 {} {0.367535887984 0.489061541431 0.623506943993} H19 34 1 1 {} {0.498815322642 0.567637359286 0.331117354681} H20 35 1 1 {} {0.477119242533 0.576065487214 0.428321200202} H21 36 1 6 {} {0.639703871155 0.640251446606 0.477062871554} C4 37 1 14 {} {0.601283287425 0.576693765319 0.430122760703} Si6 38 1 14 {} {0.636962333803 0.726645211751 0.432311808101} Si7 39 1 8 {} {0.596976565107 0.584598235619 0.320353332652} O5 40 1 8 {} {0.619523072067 0.501286624834 0.4533900805} O6 41 1 6 {} {0.546477450378 0.584491117512 0.483573180241} C5 42 1 6 {} {0.589335518264 0.77711538447 0.477025099533} C6 43 1 8 {} {0.632624493731 0.715843411554 0.321798656173} O7 44 1 8 {} {0.684523089855 0.7680772644 0.447969749098} O8 45 1 14 {} {0.630045940999 0.42345083978 0.425771888344} Si8 46 1 7 {} {0.584735630288 0.371397043687 0.443758569232} N4 47 1 14 {} {0.565323789524 0.321932521798 0.355345331798} Si9 48 1 14 {} {0.560022279639 0.36805694409 0.550109851092} Si10 49 1 7 {} {0.595280725954 0.386757479697 0.636887942161} N5 50 1 7 {} {0.600213487608 0.259272391179 0.317735143699} N6 51 1 1 {} {0.635104843285 0.641498632664 0.550022398607} H22 52 1 1 {} {0.673554943991 0.62138382053 0.464712518866} H23 53 1 1 {} {0.609687797967 0.626681681368 0.297948479518} H24 54 1 1 {} {0.543850678909 0.572830780381 0.555188053158} H25 55 1 1 {} {0.528256949592 0.543671196711 0.453076079764} H26 56 1 1 {} {0.52933716603 0.631322289822 0.46855724051} H27 57 1 1 {} {0.58855890497 0.827560069875 0.447630907342} H28 58 1 1 {} {0.591371547527 0.782644930034 0.549969559376} H29 59 1 1 {} {0.557250646015 0.752997786189 0.461856539454} H30 60 1 1 {} {0.640616973037 0.753281062391 0.283884949672} H31 61 1 1 {} {0.684870947355 0.803081780295 0.492583748424} H32 62 1 1 {} {0.641616651062 0.418558881918 0.328905276133} H33 63 1 1 {} {0.669277064898 0.403285214335 0.480479355207} H34 64 1 1 {} {0.523455059628 0.290228521889 0.388169816965} H35 65 1 1 {} {0.557018975694 0.365021242677 0.27586925943} H36 66 1 1 {} {0.522993667293 0.417466682828 0.557105114688} H37 67 1 1 {} {0.542858616776 0.298593562053 0.562087777306} H38 68 1 1 {} {0.601868865361 0.435446208817 0.65227588871} H39 69 1 1 {} {0.622409778132 0.357668491014 0.650463925068} H40 70 1 1 {} {0.624790446458 0.270560825981 0.273758723953} H41 71 1 1 {} {0.609713566478 0.22174849433 0.359097345704} 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