#MD System 2.0 @Title neb0_image07 @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 {} {0.222027926667 0.525798183959 0.337474839154} C1 1 1 14 {} {0.275074468804 0.48814518368 0.29586179205} Si1 2 1 14 {} {0.175784122945 0.53441315888 0.257796664227} Si2 3 1 8 {} {0.288491963043 0.517325650926 0.195998174134} O1 4 1 8 {} {0.31050682482 0.514799417064 0.3718457676} O2 5 1 6 {} {0.274985215782 0.394717280427 0.291272945409} C2 6 1 6 {} {0.144950834925 0.454453616192 0.239886041413} C3 7 1 8 {} {0.200324350126 0.56243050383 0.164494729566} O3 8 1 8 {} {0.140106423707 0.594300918601 0.287742405945} O4 9 1 14 {} {0.362384705187 0.534879312841 0.370232544468} Si3 10 1 7 {} {0.394047706451 0.466058274956 0.400990942505} N1 11 1 14 {} {0.441837453613 0.468006820195 0.337257266155} Si4 12 1 14 {} {0.380338041019 0.417811735763 0.494615100115} Si5 13 1 7 {} {0.353382761367 0.456899255524 0.582342120386} N2 14 1 7 {} {0.442004930465 0.552050161962 0.306598985451} N3 15 1 1 {} {0.211509035878 0.497318528065 0.396781167083} H1 16 1 1 {} {0.231649164129 0.575990664444 0.361622710926} H2 17 1 1 {} {0.264195424418 0.541502849672 0.166502888818} H3 18 1 1 {} {0.269634492934 0.371460765302 0.356915872994} H4 19 1 1 {} {0.306759696688 0.375730152786 0.264557683302} H5 20 1 1 {} {0.248364576535 0.377592752723 0.245986040408} H6 21 1 1 {} {0.11849726521 0.46073326402 0.190041458867} H7 22 1 1 {} {0.129413808935 0.437635296799 0.302400607587} H8 23 1 1 {} {0.167030087923 0.414129081476 0.216994254883} H9 24 1 1 {} {0.181471705457 0.583786081777 0.12083664325} H10 25 1 1 {} {0.112137890062 0.580032643359 0.313275704439} H11 26 1 1 {} {0.376853198154 0.556001356809 0.279942144599} H12 27 1 1 {} {0.368877301929 0.593608574804 0.433220620874} H13 28 1 1 {} {0.480670849169 0.452050411523 0.397357438862} H14 29 1 1 {} {0.446016015559 0.416600539387 0.256749856907} H15 30 1 1 {} {0.348585218982 0.364169173889 0.466686818338} H16 31 1 1 {} {0.420946916248 0.386876265612 0.535910481681} H17 32 1 1 {} {0.321862202967 0.474929558923 0.573915498334} H18 33 1 1 {} {0.368461733315 0.488158478839 0.626573225319} H19 34 1 1 {} {0.472858461542 0.569846095782 0.315096154183} H20 35 1 1 {} {0.416109940219 0.59256373187 0.334862815528} H21 36 1 6 {} {0.655983363711 0.643126404143 0.474824451271} C4 37 1 14 {} {0.6122223972 0.579045812054 0.443168720604} Si6 38 1 14 {} {0.64064269033 0.7291398952 0.428034690321} Si7 39 1 8 {} {0.587681594063 0.590689872 0.345974402521} O5 40 1 8 {} {0.631892958932 0.502858399048 0.451980984802} O6 41 1 6 {} {0.566996780825 0.579223324643 0.528148522386} C5 42 1 6 {} {0.588960830289 0.77544559247 0.472829381802} C6 43 1 8 {} {0.632181799126 0.718191973768 0.318196599944} O7 44 1 8 {} {0.684563673739 0.782219627729 0.436865538492} O8 45 1 14 {} {0.631282491004 0.423126462692 0.422833669417} Si8 46 1 7 {} {0.58354336866 0.373991651974 0.441088004239} N4 47 1 14 {} {0.562802748876 0.323157632773 0.351388066147} Si9 48 1 14 {} {0.559496935038 0.36690954846 0.547758682633} Si10 49 1 7 {} {0.595018500081 0.385794746408 0.633649604749} N5 50 1 7 {} {0.597208711232 0.259656515067 0.312941443672} N6 51 1 1 {} {0.64816249531 0.647549535885 0.546401407391} H22 52 1 1 {} {0.694264986047 0.641671118465 0.473250751685} H23 53 1 1 {} {0.600030600422 0.622777173912 0.303717385503} H24 54 1 1 {} {0.578129628883 0.602303730148 0.59711388901} H25 55 1 1 {} {0.555545661039 0.526509369542 0.535705550251} H26 56 1 1 {} {0.538452270802 0.606428332928 0.499180627762} H27 57 1 1 {} {0.587124394345 0.8263782576 0.443582014765} H28 58 1 1 {} {0.589859096691 0.782927776431 0.545740327361} H29 59 1 1 {} {0.556248726018 0.752493139944 0.457716316297} H30 60 1 1 {} {0.637801651085 0.75409453933 0.275545706169} H31 61 1 1 {} {0.684012331452 0.810289557119 0.490895711411} H32 62 1 1 {} {0.639653967499 0.416291039681 0.325408103155} H33 63 1 1 {} {0.669404356182 0.397596557319 0.477515329484} H34 64 1 1 {} {0.521346011817 0.289976782516 0.385104774185} H35 65 1 1 {} {0.554859909229 0.365647811589 0.272462060513} H36 66 1 1 {} {0.522251312664 0.416862832565 0.560646711195} H37 67 1 1 {} {0.54139093521 0.297966583851 0.558694518066} H38 68 1 1 {} {0.599871758983 0.434971550087 0.651142406267} H39 69 1 1 {} {0.622701801071 0.358315802565 0.649102524491} H40 70 1 1 {} {0.621707705368 0.270490630819 0.268446634135} H41 71 1 1 {} {0.606226675658 0.220377498105 0.352111978396} 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