#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 {} {0.210311374103 0.527772917918 0.318241478072} C1 1 1 14 {} {0.264222006905 0.490756148698 0.276483660716} Si1 2 1 14 {} {0.163634745717 0.536216490751 0.23727255011} Si2 3 1 8 {} {0.276763291229 0.523674915078 0.178557719675} O1 4 1 8 {} {0.304195408501 0.5110782764 0.347346562107} O2 5 1 6 {} {0.262267883596 0.397584002266 0.269470309532} C2 6 1 6 {} {0.132069219901 0.456535521703 0.219572219046} C3 7 1 8 {} {0.188116928165 0.56209679083 0.14296483322} O3 8 1 8 {} {0.128281306755 0.597301535159 0.264339758569} O4 9 1 14 {} {0.355666392149 0.539995401466 0.352559857964} Si3 10 1 7 {} {0.390311147258 0.477060084022 0.39427713386} N1 11 1 14 {} {0.444602262642 0.475271379303 0.352914679188} Si4 12 1 14 {} {0.370052136612 0.422855171199 0.476995626997} Si5 13 1 7 {} {0.34091018815 0.460638219281 0.562371260103} N2 14 1 7 {} {0.466059049465 0.555290190442 0.358215258763} N3 15 1 1 {} {0.198700700599 0.499141429476 0.376706633391} H1 16 1 1 {} {0.218180997419 0.578606030629 0.342402954162} H2 17 1 1 {} {0.251303915954 0.543991677902 0.147851665028} H3 18 1 1 {} {0.257104627701 0.37454850219 0.335260117641} H4 19 1 1 {} {0.293976717719 0.378511378082 0.242734475864} H5 20 1 1 {} {0.235493437701 0.380496609788 0.224771569213} H6 21 1 1 {} {0.105564395197 0.462760007747 0.169503866256} H7 22 1 1 {} {0.116526017509 0.438810845411 0.281757094963} H8 23 1 1 {} {0.154461013249 0.416723758732 0.195952209038} H9 24 1 1 {} {0.169598526173 0.585196702166 0.0998129999968} H10 25 1 1 {} {0.0998847730114 0.584957871432 0.290337925906} H11 26 1 1 {} {0.372086964583 0.559970020648 0.262751348702} H12 27 1 1 {} {0.354568772209 0.598842957917 0.413627829868} H13 28 1 1 {} {0.468887538152 0.423291608134 0.405740392192} H14 29 1 1 {} {0.446949511198 0.457918857021 0.256252041505} H15 30 1 1 {} {0.338600844825 0.373713989803 0.436662973858} H16 31 1 1 {} {0.409552513948 0.388591587873 0.516183556863} H17 32 1 1 {} {0.309293460323 0.477137105304 0.55139607712} H18 33 1 1 {} {0.35689815206 0.491063980878 0.606339572834} H19 34 1 1 {} {0.489643182557 0.569971122382 0.313427728985} H20 35 1 1 {} {0.471865744739 0.577430933401 0.418173968877} H21 36 1 6 {} {0.649998057659 0.638151920233 0.494368665584} C4 37 1 14 {} {0.610619799115 0.574325296869 0.446643749836} Si6 38 1 14 {} {0.647516998882 0.724731612114 0.449475339703} Si7 39 1 8 {} {0.607896080617 0.582600548886 0.337014793638} O5 40 1 8 {} {0.630221019716 0.499524199083 0.470821739109} O6 41 1 6 {} {0.553820713302 0.58056873765 0.496537908206} C5 42 1 6 {} {0.599950173665 0.775208273452 0.494230080781} C6 43 1 8 {} {0.643347300478 0.713923094416 0.339040575804} O7 44 1 8 {} {0.69512643151 0.76614655146 0.465160187633} O8 45 1 14 {} {0.64074175214 0.421607888006 0.442927664179} Si8 46 1 7 {} {0.595361287311 0.369471571182 0.461040911669} N4 47 1 14 {} {0.575842036526 0.320226491528 0.372428455016} Si9 48 1 14 {} {0.570676152587 0.366086311003 0.567474891237} Si10 49 1 7 {} {0.605917912194 0.384870005396 0.654464865291} N5 50 1 7 {} {0.61083288878 0.257517176852 0.335124643733} N6 51 1 1 {} {0.645787303386 0.639596676618 0.567427568823} H22 52 1 1 {} {0.684044153246 0.619395919761 0.481925723596} H23 53 1 1 {} {0.620387941836 0.624807341721 0.315020583951} H24 54 1 1 {} {0.553673352481 0.570637957508 0.56868503244} H25 55 1 1 {} {0.532269986605 0.543073909633 0.464645003842} H26 56 1 1 {} {0.539063870957 0.630242983572 0.484979655437} H27 57 1 1 {} {0.599191081666 0.825637035885 0.464822362342} H28 58 1 1 {} {0.601999602747 0.780721141749 0.567180257119} H29 59 1 1 {} {0.567877351919 0.75107038986 0.479072182559} H30 60 1 1 {} {0.651267590797 0.751350326304 0.30105833517} H31 61 1 1 {} {0.695501132613 0.801167413056 0.509847689912} H32 62 1 1 {} {0.652253270305 0.41660053252 0.346186249308} H33 63 1 1 {} {0.679931686283 0.401256806924 0.497740517769} H34 64 1 1 {} {0.534047536382 0.288236614351 0.405292888677} H35 65 1 1 {} {0.567638906925 0.363064354103 0.292873857998} H36 66 1 1 {} {0.533479604901 0.415470301641 0.573798574116} H37 67 1 1 {} {0.553539393537 0.296630905406 0.579167423133} H38 68 1 1 {} {0.612497458119 0.433479868013 0.669333752964} H39 69 1 1 {} {0.632961274917 0.355797152763 0.667593404718} H40 70 1 1 {} {0.635441605934 0.268586086002 0.290847304717} H41 71 1 1 {} {0.620349982318 0.219715521526 0.376325382449} 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