#MD System 2.0 @Title neb0_image01 @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 {} {0.358195128985 0.546605635629 0.413977699638} C1 1 1 14 {} {0.334763264498 0.520102496563 0.524686098278} Si1 2 1 14 {} {0.419859167633 0.55742505259 0.409713211744} Si2 3 1 8 {} {0.347926645341 0.57686032852 0.600669740256} O1 4 1 8 {} {0.279808815716 0.518648212115 0.517517171753} O2 5 1 6 {} {0.353646330336 0.434815450694 0.559457397649} C2 6 1 6 {} {0.451045933889 0.477145429087 0.395117296878} C3 7 1 8 {} {0.432783863495 0.592046959156 0.508767422481} O3 8 1 8 {} {0.433056273082 0.608903177013 0.326895690485} O4 9 1 14 {} {0.229379853672 0.522881412759 0.558882034808} Si3 10 1 7 {} {0.209763645736 0.444757475647 0.593063713813} N1 11 1 14 {} {0.187347385034 0.436447391795 0.700589777988} Si4 12 1 14 {} {0.210298838707 0.376995345785 0.518020539972} Si5 13 1 7 {} {0.20423878843 0.398139994163 0.40755960212} N2 14 1 7 {} {0.136921567378 0.475543387021 0.720742074971} N3 15 1 1 {} {0.348150424536 0.51081834309 0.361734648853} H1 16 1 1 {} {0.342546687846 0.594927991719 0.396944413418} H2 17 1 1 {} {0.377886284928 0.595124004161 0.591210766837} H3 18 1 1 {} {0.344969787566 0.396240061975 0.510085267741} H4 19 1 1 {} {0.337930753415 0.420919677205 0.623127289118} H5 20 1 1 {} {0.389974753929 0.433568788693 0.569442171411} H6 21 1 1 {} {0.487164276381 0.486592516053 0.392122056575} H7 22 1 1 {} {0.441485580236 0.452794807604 0.332132857452} H8 23 1 1 {} {0.444829911131 0.441636144801 0.449681973012} H9 24 1 1 {} {0.463475324626 0.607161651249 0.514992500387} H10 25 1 1 {} {0.465060337593 0.612123243884 0.315546636714} H11 26 1 1 {} {0.227717778091 0.567059042159 0.639188733287} H12 27 1 1 {} {0.200475450121 0.550958063555 0.487230616726} H13 28 1 1 {} {0.180643468861 0.363382516484 0.714842604054} H14 29 1 1 {} {0.218891111242 0.465610626637 0.76660881259} H15 30 1 1 {} {0.253564222039 0.340431076957 0.523872214618} H16 31 1 1 {} {0.172688702153 0.332451298592 0.544702282572} H17 32 1 1 {} {0.231236477319 0.412839891859 0.37159144878} H18 33 1 1 {} {0.17624755249 0.421630091853 0.385489134865} H19 34 1 1 {} {0.136113819643 0.525138645725 0.735761065742} H20 35 1 1 {} {0.10886262558 0.461693529734 0.687352646416} H21 36 1 6 {} {0.632644542811 0.645993913133 0.348994722995} C4 37 1 14 {} {0.589526487306 0.583470501317 0.386338033141} Si6 38 1 14 {} {0.62701495728 0.734482828498 0.385504772595} Si7 39 1 8 {} {0.539188317113 0.618839871834 0.380551522852} O5 40 1 8 {} {0.590394439129 0.51892471502 0.31929088814} O6 41 1 6 {} {0.600570077216 0.551640793189 0.501308176097} C5 42 1 6 {} {0.64521836787 0.751508253575 0.502662570317} C6 43 1 8 {} {0.572174893546 0.749295670509 0.374033737059} O7 44 1 8 {} {0.654759711177 0.783851167092 0.315599577267} O8 45 1 14 {} {0.584002336374 0.458639414102 0.246242865237} Si8 46 1 7 {} {0.596594484166 0.380573579065 0.289251535809} N4 47 1 14 {} {0.552912372297 0.32415466351 0.312651990646} Si9 48 1 14 {} {0.651061189161 0.355261911182 0.314603087096} Si10 49 1 7 {} {0.692146885523 0.401420148417 0.263443613113} N5 50 1 7 {} {0.528990092916 0.281124210344 0.225734106266} N6 51 1 1 {} {0.666051742071 0.627598840659 0.367687420279} H22 52 1 1 {} {0.631874046804 0.646809397902 0.275335662671} H23 53 1 1 {} {0.541256067536 0.667891671715 0.375873775669} H24 54 1 1 {} {0.6326785364 0.525061624484 0.504150250018} H25 55 1 1 {} {0.574458465535 0.51611821015 0.521642817047} H26 56 1 1 {} {0.601453460176 0.592210457143 0.55084548074} H27 57 1 1 {} {0.6399646127 0.804285324576 0.520844254381} H28 58 1 1 {} {0.680807306812 0.740090911804 0.512030320461} H29 59 1 1 {} {0.626223258406 0.720952589962 0.550391401743} H30 60 1 1 {} {0.561803486142 0.795186029323 0.371056103291} H31 61 1 1 {} {0.672730607734 0.819495951476 0.340617416755} H32 62 1 1 {} {0.536354084317 0.456646253575 0.217559869663} H33 63 1 1 {} {0.613178327516 0.474738935835 0.16867894905} H34 64 1 1 {} {0.572856882212 0.273441463275 0.373929540298} H35 65 1 1 {} {0.516117583683 0.361975547589 0.356113743031} H36 66 1 1 {} {0.660339097531 0.361360162288 0.412084055346} H37 67 1 1 {} {0.654923987866 0.283833596629 0.286466624342} H38 68 1 1 {} {0.705424017514 0.442286941827 0.293726667135} H39 69 1 1 {} {0.695091465933 0.404386128502 0.196034338112} H40 70 1 1 {} {0.506786584305 0.304292442994 0.18501249439} H41 71 1 1 {} {0.546398712054 0.245672353916 0.191939697472} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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