#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 {} {0.210309652329 0.527765924883 0.318237448264} C1 1 1 14 {} {0.264225093117 0.490754441402 0.276457017394} Si1 2 1 14 {} {0.163624458641 0.53621819723 0.237278299734} Si2 3 1 8 {} {0.276775163577 0.523716323183 0.178553406742} O1 4 1 8 {} {0.304179829867 0.511077481341 0.347354389119} O2 5 1 6 {} {0.262261838349 0.397571513118 0.269461607224} C2 6 1 6 {} {0.132064432507 0.456533689786 0.219556150843} C3 7 1 8 {} {0.188106231697 0.562093584827 0.142961825124} O3 8 1 8 {} {0.12826953138 0.597328705039 0.264306951175} O4 9 1 14 {} {0.355658057147 0.539978381575 0.352536830332} Si3 10 1 7 {} {0.390309279333 0.477046564779 0.394254239934} N1 11 1 14 {} {0.444653848896 0.475314164579 0.352963358113} Si4 12 1 14 {} {0.370042174912 0.422851531924 0.47697736176} Si5 13 1 7 {} {0.340905579152 0.46064729056 0.562368392337} N2 14 1 7 {} {0.466161013225 0.555332416818 0.358359218483} N3 15 1 1 {} {0.198690772198 0.499144959355 0.376714048379} H1 16 1 1 {} {0.218165883844 0.578605057997 0.342405247115} H2 17 1 1 {} {0.251293940364 0.5439883896 0.147856792584} H3 18 1 1 {} {0.257097405323 0.374558016386 0.335273176089} H4 19 1 1 {} {0.293974757901 0.378527490175 0.242708149462} H5 20 1 1 {} {0.23548494606 0.380496459356 0.224748886178} H6 21 1 1 {} {0.105556960121 0.462752687658 0.169495288513} H7 22 1 1 {} {0.116522527332 0.438810321663 0.281737562381} H8 23 1 1 {} {0.15445590012 0.416724085369 0.19593822262} H9 24 1 1 {} {0.169594777521 0.585196566551 0.0997952198848} H10 25 1 1 {} {0.0998775252004 0.584965396842 0.290319856056} H11 26 1 1 {} {0.372083897644 0.559972556303 0.262701624533} H12 27 1 1 {} {0.354559960288 0.598858781063 0.413633472514} H13 28 1 1 {} {0.468879785474 0.423266101153 0.405749005934} H14 29 1 1 {} {0.446937750817 0.457922028921 0.25621846111} H15 30 1 1 {} {0.338589167037 0.373707011023 0.436656042116} H16 31 1 1 {} {0.40954210909 0.38859794489 0.516183303651} H17 32 1 1 {} {0.309285688803 0.477136880495 0.551382455295} H18 33 1 1 {} {0.356902773777 0.491066945146 0.606342354821} H19 34 1 1 {} {0.489647273592 0.569971939157 0.313344853735} H20 35 1 1 {} {0.471930371861 0.577431434917 0.418376389742} H21 36 1 6 {} {0.65000559943 0.638156087835 0.494387399185} C4 37 1 14 {} {0.610605378311 0.574315742727 0.446634326316} Si6 38 1 14 {} {0.647517231918 0.724731244792 0.449481914307} Si7 39 1 8 {} {0.607929316217 0.582594785411 0.337036628218} O5 40 1 8 {} {0.63021566957 0.499512065542 0.470819840999} O6 41 1 6 {} {0.553757794741 0.580539213902 0.496412415485} C5 42 1 6 {} {0.59995422697 0.775197058264 0.494241377299} C6 43 1 8 {} {0.643336406422 0.713926912629 0.33905610161} O7 44 1 8 {} {0.695147907919 0.766139469659 0.46517367954} O8 45 1 14 {} {0.640748973979 0.421608974336 0.442923494155} Si8 46 1 7 {} {0.595369019299 0.369459904524 0.461032402997} N4 47 1 14 {} {0.57584791936 0.320236527028 0.372439712085} Si9 48 1 14 {} {0.570691233324 0.366082977313 0.567496659705} Si10 49 1 7 {} {0.605921610664 0.384869593158 0.654460361185} N5 50 1 7 {} {0.610842580922 0.257517424878 0.335144566571} N6 51 1 1 {} {0.645789800149 0.63959687442 0.567444953236} H22 52 1 1 {} {0.684054088978 0.619379829577 0.481937853754} H23 53 1 1 {} {0.620393812808 0.624804087755 0.31503705739} H24 54 1 1 {} {0.553673310083 0.57062152869 0.568600318194} H25 55 1 1 {} {0.532130255862 0.543091369749 0.464540660196} H26 56 1 1 {} {0.539049392677 0.630253605037 0.484967454347} H27 57 1 1 {} {0.599199792287 0.825629237734 0.464843351993} H28 58 1 1 {} {0.602008638745 0.78071703459 0.567184167326} H29 59 1 1 {} {0.56788453493 0.751059920534 0.47908025412} H30 60 1 1 {} {0.651272158605 0.751346822043 0.301080663869} H31 61 1 1 {} {0.695506106313 0.801165780753 0.509864539458} H32 62 1 1 {} {0.652259164716 0.416591752014 0.346197393897} H33 63 1 1 {} {0.67992987575 0.401250928348 0.497736778615} H34 64 1 1 {} {0.534050898058 0.288227229396 0.405315702176} H35 65 1 1 {} {0.567648775817 0.363063807793 0.292890398069} H36 66 1 1 {} {0.533491746934 0.415471745846 0.573796015902} H37 67 1 1 {} {0.5535419178 0.296646133486 0.579181060574} H38 68 1 1 {} {0.612503300372 0.433474672177 0.669351770705} H39 69 1 1 {} {0.632961129143 0.355793764017 0.667592838197} H40 70 1 1 {} {0.635452626852 0.268581092802 0.290871517184} H41 71 1 1 {} {0.620365288404 0.219716476907 0.376345595639} 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