#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 {} {0.207783754587 0.528228384192 0.314030034149} C1 1 1 14 {} {0.261611637387 0.49110915312 0.272190804851} Si1 2 1 14 {} {0.161093044897 0.536682466984 0.233061688424} Si2 3 1 8 {} {0.274137248229 0.52380768018 0.174126119081} O1 4 1 8 {} {0.301734076246 0.511532313346 0.343042661118} O2 5 1 6 {} {0.259631245913 0.397964512677 0.265422517414} C2 6 1 6 {} {0.129473164741 0.45703892647 0.215302207985} C3 7 1 8 {} {0.185563834651 0.562562286556 0.138790069085} O3 8 1 8 {} {0.125799276229 0.597784972457 0.260324407585} O4 9 1 14 {} {0.353117142175 0.540541290774 0.348517545959} Si3 10 1 7 {} {0.387842810568 0.477555182297 0.390076031935} N1 11 1 14 {} {0.442100890789 0.475784850426 0.348490717739} Si4 12 1 14 {} {0.367473570517 0.423258618827 0.47282859422} Si5 13 1 7 {} {0.338288342834 0.461049570933 0.558276701531} N2 14 1 7 {} {0.463659533879 0.555763086276 0.354068690903} N3 15 1 1 {} {0.196127541683 0.499657973428 0.37250859442} H1 16 1 1 {} {0.215634019984 0.579089575338 0.338063997998} H2 17 1 1 {} {0.248728773599 0.544461610252 0.14356340659} H3 18 1 1 {} {0.254447815942 0.374883825557 0.33117710035} H4 19 1 1 {} {0.29133556803 0.378921029262 0.238639253499} H5 20 1 1 {} {0.232854703449 0.381006808214 0.22062383855} H6 21 1 1 {} {0.102963866169 0.463326989477 0.165228346644} H7 22 1 1 {} {0.113890239328 0.439382515581 0.277496529629} H8 23 1 1 {} {0.15182006481 0.417142812702 0.191731568104} H9 24 1 1 {} {0.167000741957 0.585686489694 0.0957132341183} H10 25 1 1 {} {0.0973691171406 0.585372505209 0.286144339111} H11 26 1 1 {} {0.369569729491 0.560570108593 0.25871915259} H12 27 1 1 {} {0.351967774485 0.599313036881 0.409571982677} H13 28 1 1 {} {0.466288428142 0.423634397557 0.401373845483} H14 29 1 1 {} {0.444265656398 0.458185707091 0.251909070072} H15 30 1 1 {} {0.336039769259 0.374168507295 0.432423981188} H16 31 1 1 {} {0.406965422516 0.389027288791 0.511940228923} H17 32 1 1 {} {0.306676497977 0.477550066521 0.547102715542} H18 33 1 1 {} {0.354242906753 0.491588475814 0.602070166023} H19 34 1 1 {} {0.487111642608 0.570318165821 0.309031537596} H20 35 1 1 {} {0.469230091149 0.57794269 0.414106082396} H21 36 1 6 {} {0.652648657122 0.63777287308 0.498542072862} C4 37 1 14 {} {0.613221462213 0.573875030133 0.451016131832} Si6 38 1 14 {} {0.650220767697 0.724353548447 0.453676808634} Si7 39 1 8 {} {0.610324960103 0.582233636368 0.341286038875} O5 40 1 8 {} {0.632975768241 0.499214826082 0.474972119758} O6 41 1 6 {} {0.556306038624 0.579969557051 0.500791895664} C5 42 1 6 {} {0.602558409142 0.774760163561 0.498399585378} C6 43 1 8 {} {0.646200496563 0.713393239922 0.343138088693} O7 44 1 8 {} {0.69775750694 0.765777465417 0.469395603026} O8 45 1 14 {} {0.643342898577 0.421239293345 0.447323263641} Si8 46 1 7 {} {0.59797048007 0.368949387548 0.465163089817} N4 47 1 14 {} {0.578388655121 0.319827826196 0.376846596794} Si9 48 1 14 {} {0.573303545527 0.365632163154 0.571827720841} Si10 49 1 7 {} {0.608213024226 0.384328671106 0.657998198871} N5 50 1 7 {} {0.613342295872 0.256882453365 0.339120915389} N6 51 1 1 {} {0.648421819007 0.639164833877 0.571594992939} H22 52 1 1 {} {0.68673603828 0.619115425121 0.486072594427} H23 53 1 1 {} {0.622936192746 0.624310612214 0.319145269392} H24 54 1 1 {} {0.556292744164 0.57031564535 0.57300323666} H25 55 1 1 {} {0.53470613097 0.542487822732 0.468970375825} H26 56 1 1 {} {0.541622543392 0.629635801841 0.489266804193} H27 57 1 1 {} {0.6017658478 0.825187057648 0.468997449323} H28 58 1 1 {} {0.604601893239 0.780313660853 0.571359013301} H29 59 1 1 {} {0.570465373752 0.750623973538 0.48330829912} H30 60 1 1 {} {0.653889947809 0.750901182707 0.305139944881} H31 61 1 1 {} {0.698063318711 0.800811039386 0.514074231261} H32 62 1 1 {} {0.654797835961 0.416143858279 0.350398683464} H33 63 1 1 {} {0.68252820009 0.400844765944 0.502005903381} H34 64 1 1 {} {0.536596617787 0.287932870593 0.409620069986} H35 65 1 1 {} {0.570194286198 0.362693419732 0.297192161639} H36 66 1 1 {} {0.53595763653 0.414870171326 0.578260881516} H37 67 1 1 {} {0.556157519507 0.29597101494 0.583527678493} H38 68 1 1 {} {0.615024203897 0.433250322217 0.673610064544} H39 69 1 1 {} {0.635693327836 0.355221062347 0.671970147121} H40 70 1 1 {} {0.637846069398 0.268143804986 0.294946234117} H41 71 1 1 {} {0.622765421743 0.219260530661 0.380158170793} 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