#MD System 2.0 @Title neb0_image03 @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 {} {0.20766916867 0.528226868133 0.314037379684} C1 1 1 14 {} {0.261594655428 0.491252122614 0.272205074107} Si1 2 1 14 {} {0.160976247446 0.53673585069 0.233021128305} Si2 3 1 8 {} {0.274211476028 0.52441932762 0.174429256613} O1 4 1 8 {} {0.301590740232 0.511521144389 0.343175368839} O2 5 1 6 {} {0.259628648671 0.398078156079 0.265168788358} C2 6 1 6 {} {0.129435889272 0.457023137509 0.215274886517} C3 7 1 8 {} {0.185484125896 0.562540785742 0.138752534977} O3 8 1 8 {} {0.125632042463 0.597896415454 0.259928750044} O4 9 1 14 {} {0.353069688684 0.540479269833 0.348289069429} Si3 10 1 7 {} {0.387822167234 0.47753740703 0.389881783052} N1 11 1 14 {} {0.442219057768 0.475990818589 0.348958461596} Si4 12 1 14 {} {0.367423279047 0.423330857778 0.47267884367} Si5 13 1 7 {} {0.338310314779 0.461162840089 0.558099358677} N2 14 1 7 {} {0.464149380889 0.555653035255 0.355124695698} N3 15 1 1 {} {0.19606402921 0.499629144571 0.372507658418} H1 16 1 1 {} {0.215502466659 0.579060039846 0.33821036752} H2 17 1 1 {} {0.248668104164 0.544460510745 0.14367924296} H3 18 1 1 {} {0.254485059953 0.375108968885 0.331032858374} H4 19 1 1 {} {0.291363140093 0.37906236227 0.238393984147} H5 20 1 1 {} {0.232869540002 0.380965674461 0.220481498458} H6 21 1 1 {} {0.10292159275 0.463194489209 0.165228744581} H7 22 1 1 {} {0.113903459547 0.439257791287 0.277461211027} H8 23 1 1 {} {0.151850717966 0.417214743526 0.191655727254} H9 24 1 1 {} {0.16699396037 0.585646192453 0.0955423955932} H10 25 1 1 {} {0.0972539145641 0.58553057173 0.286003258403} H11 26 1 1 {} {0.369453190847 0.560419159352 0.258374611384} H12 27 1 1 {} {0.351930245482 0.599290670387 0.409309763843} H13 28 1 1 {} {0.46626312876 0.423588790082 0.40164478068} H14 29 1 1 {} {0.444352840202 0.458667172385 0.252263986611} H15 30 1 1 {} {0.335942989649 0.374178326996 0.432421920234} H16 31 1 1 {} {0.406890403114 0.38909828455 0.51198776147} H17 32 1 1 {} {0.306680244962 0.477637502807 0.547158106938} H18 33 1 1 {} {0.354311889174 0.491536858433 0.602099662613} H19 34 1 1 {} {0.487082198807 0.570652065981 0.309236433271} H20 35 1 1 {} {0.470005283545 0.577878151535 0.415064753337} H21 36 1 6 {} {0.652521587629 0.637564072194 0.498664011236} C4 37 1 14 {} {0.613049198825 0.573746826205 0.450763328327} Si6 38 1 14 {} {0.650185994042 0.724245146076 0.453832571197} Si7 39 1 8 {} {0.610726449914 0.582012433656 0.341071149199} O5 40 1 8 {} {0.63273343457 0.499020353218 0.475018380841} O6 41 1 6 {} {0.555966708201 0.579855198232 0.499920662275} C5 42 1 6 {} {0.602590042841 0.77468771221 0.498526974964} C6 43 1 8 {} {0.645867245831 0.713471957223 0.343321276033} O7 44 1 8 {} {0.697775194258 0.765575656759 0.469478369225} O8 45 1 14 {} {0.643327060545 0.42111911661 0.447138618709} Si8 46 1 7 {} {0.598012751525 0.368951186438 0.465293694693} N4 47 1 14 {} {0.578433842794 0.319701905081 0.376729662859} Si9 48 1 14 {} {0.573346571899 0.365632188675 0.571714242923} Si10 49 1 7 {} {0.608550458148 0.384402961791 0.658722689582} N5 50 1 7 {} {0.613483130758 0.257033043968 0.339465081616} N6 51 1 1 {} {0.648387244747 0.639125125739 0.571749780306} H22 52 1 1 {} {0.686578376818 0.618789842132 0.486211578378} H23 53 1 1 {} {0.623066145596 0.62440282905 0.319270095156} H24 54 1 1 {} {0.556109894532 0.569941478301 0.571951639066} H25 55 1 1 {} {0.533944236633 0.542934393278 0.468070091168} H26 56 1 1 {} {0.541512917466 0.629869083641 0.488965658311} H27 57 1 1 {} {0.601827561733 0.825106896896 0.469139350455} H28 58 1 1 {} {0.604638346428 0.780201631887 0.571466790361} H29 59 1 1 {} {0.570510034254 0.75051347627 0.483324213472} H30 60 1 1 {} {0.653888958246 0.750872996603 0.30537549671} H31 61 1 1 {} {0.698126816858 0.800627732447 0.514087916506} H32 62 1 1 {} {0.654886430419 0.416067501924 0.350381935637} H33 63 1 1 {} {0.682529321432 0.400743877759 0.501924797248} H34 64 1 1 {} {0.536684252881 0.287718379904 0.409599982261} H35 65 1 1 {} {0.570286158942 0.362588166847 0.297140054717} H36 66 1 1 {} {0.536153074497 0.415021727891 0.577941044989} H37 67 1 1 {} {0.556135024862 0.296210294561 0.583449926145} H38 68 1 1 {} {0.615126584219 0.432976043763 0.673636004159} H39 69 1 1 {} {0.635565533272 0.355284422498 0.671795740898} H40 70 1 1 {} {0.638108984161 0.268093181177 0.295195084051} H41 71 1 1 {} {0.62303700678 0.219268591063 0.380686116684} 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