#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 {} {0.211281562806 0.52757163886 0.318694000623} C1 1 1 14 {} {0.264818299705 0.489828902648 0.277153451759} Si1 2 1 14 {} {0.164432190273 0.536079031622 0.238366493046} Si2 3 1 8 {} {0.276952317181 0.520226417843 0.17759099259} O1 4 1 8 {} {0.304292025361 0.51209294076 0.348009515685} O2 5 1 6 {} {0.262881982788 0.396655409708 0.271590462156} C2 6 1 6 {} {0.132824696156 0.456416270975 0.220869217294} C3 7 1 8 {} {0.188563934401 0.562499089288 0.144166768953} O3 8 1 8 {} {0.129089719897 0.596535402846 0.267367751079} O4 9 1 14 {} {0.355849716202 0.540392798653 0.353648633319} Si3 10 1 7 {} {0.389977210285 0.476241000598 0.394166993028} N1 11 1 14 {} {0.443002130006 0.474118356576 0.348029594838} Si4 12 1 14 {} {0.370474571655 0.422264328283 0.478100496338} Si5 13 1 7 {} {0.341332694347 0.46002328066 0.563568781024} N2 14 1 7 {} {0.460454462014 0.556411656554 0.345807644747} N3 15 1 1 {} {0.199665010889 0.499463555626 0.377565180461} H1 16 1 1 {} {0.219451252973 0.57839574118 0.342397657212} H2 17 1 1 {} {0.252050267504 0.54311889113 0.148375765825} H3 18 1 1 {} {0.257407438403 0.373336751816 0.337085974484} H4 19 1 1 {} {0.294498861313 0.377342397048 0.244762135691} H5 20 1 1 {} {0.236149847915 0.380094143799 0.226394665425} H6 21 1 1 {} {0.106370108879 0.463064789013 0.170848611784} H7 22 1 1 {} {0.117131024785 0.439309843607 0.283233211137} H8 23 1 1 {} {0.154820335928 0.416013460081 0.19755167172} H9 24 1 1 {} {0.169812525618 0.585695949852 0.101192986656} H10 25 1 1 {} {0.10064181422 0.583055464227 0.292663744838} H11 26 1 1 {} {0.37235668869 0.560550412814 0.264312605482} H12 27 1 1 {} {0.355102939164 0.598586721524 0.415768310856} H13 28 1 1 {} {0.469721216568 0.42636293518 0.403269020359} H14 29 1 1 {} {0.445063135407 0.450794498033 0.253389651993} H15 30 1 1 {} {0.339168787332 0.372637187114 0.438601141119} H16 31 1 1 {} {0.410251441577 0.388562295425 0.51698012423} H17 32 1 1 {} {0.309752084246 0.476309172433 0.552317354128} H18 33 1 1 {} {0.356957108594 0.491075856599 0.607443774184} H19 34 1 1 {} {0.488601104419 0.566890309738 0.310789055663} H20 35 1 1 {} {0.461458461963 0.580555167428 0.405634910937} H21 36 1 6 {} {0.652317515793 0.639679846723 0.493217013606} C4 37 1 14 {} {0.612421731561 0.575433550836 0.449634487096} Si6 38 1 14 {} {0.647685801071 0.726031634816 0.447500073307} Si7 39 1 8 {} {0.604412379312 0.584009155224 0.340811561335} O5 40 1 8 {} {0.632313155493 0.500246536757 0.470443415718} O6 41 1 6 {} {0.557224752727 0.580431141638 0.505581864996} C5 42 1 6 {} {0.599334302367 0.775557788292 0.491898811078} C6 43 1 8 {} {0.643995887701 0.713933548171 0.337156415676} O7 44 1 8 {} {0.694509761196 0.769299715317 0.462870963937} O8 45 1 14 {} {0.640646558716 0.421856403354 0.442520460871} Si8 46 1 7 {} {0.594698960352 0.370585729742 0.459764193157} N4 47 1 14 {} {0.574984687693 0.321265749718 0.371085252864} Si9 48 1 14 {} {0.570142529793 0.365840937477 0.566581199586} Si10 49 1 7 {} {0.605244768084 0.385060823063 0.653445963674} N5 50 1 7 {} {0.609688070338 0.258303059327 0.333165961424} N6 51 1 1 {} {0.647307430639 0.64098547894 0.566052214625} H22 52 1 1 {} {0.686915177371 0.623062589901 0.481484286053} H23 53 1 1 {} {0.618245175187 0.623829296209 0.314957267828} H24 54 1 1 {} {0.55845762677 0.575354369511 0.578479798595} H25 55 1 1 {} {0.537913292048 0.538450143253 0.478112102818} H26 56 1 1 {} {0.540056946187 0.627229605847 0.488871854979} H27 57 1 1 {} {0.598484778622 0.826121589334 0.462817155267} H28 58 1 1 {} {0.60157574609 0.781319299335 0.564778951097} H29 59 1 1 {} {0.567043711972 0.751804863364 0.477387736949} H30 60 1 1 {} {0.650739751031 0.751475807737 0.298596610852} H31 61 1 1 {} {0.694733869266 0.802645086556 0.50922102403} H32 62 1 1 {} {0.651779224815 0.416822748999 0.345519691681} H33 63 1 1 {} {0.679567147143 0.400563132467 0.497406650639} H34 64 1 1 {} {0.533254563723 0.28921077765 0.403934423688} H35 65 1 1 {} {0.566822921369 0.363970922173 0.291344092531} H36 66 1 1 {} {0.532409100378 0.414177918146 0.573912258109} H37 67 1 1 {} {0.553494094341 0.295970385873 0.577744064508} H38 68 1 1 {} {0.611551317077 0.433884294831 0.667632129239} H39 69 1 1 {} {0.632328451913 0.356359084824 0.666809545202} H40 70 1 1 {} {0.634068245767 0.268655699612 0.288258142897} H41 71 1 1 {} {0.618649377032 0.219302089144 0.373102144362} 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