#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 {} {0.211358460514 0.52756699279 0.318663950983} C1 1 1 14 {} {0.265002612801 0.489775087887 0.27735801091} Si1 2 1 14 {} {0.164564716639 0.535938430603 0.238578783343} Si2 3 1 8 {} {0.276923511744 0.519642085307 0.1773136211} O1 4 1 8 {} {0.304406488606 0.512321518742 0.348040343251} O2 5 1 6 {} {0.262942466399 0.396537601411 0.271881539823} C2 6 1 6 {} {0.132948395435 0.456410053121 0.221067026832} C3 7 1 8 {} {0.188584166033 0.562624236941 0.144105326087} O3 8 1 8 {} {0.129109029852 0.596480845492 0.267932511065} O4 9 1 14 {} {0.355945338638 0.540289447672 0.353828530298} Si3 10 1 7 {} {0.389850526545 0.476223867993 0.394230399855} N1 11 1 14 {} {0.44292659748 0.473864801024 0.347463949302} Si4 12 1 14 {} {0.370601560168 0.422392709691 0.477896286309} Si5 13 1 7 {} {0.34142754568 0.459848177003 0.563958616615} N2 14 1 7 {} {0.459296533527 0.556753688785 0.343829419191} N3 15 1 1 {} {0.199796118988 0.499548156922 0.377611802036} H1 16 1 1 {} {0.219624830338 0.578326343081 0.342389664715} H2 17 1 1 {} {0.252152612469 0.543047003516 0.148434280386} H3 18 1 1 {} {0.257424837786 0.373120882172 0.337319144903} H4 19 1 1 {} {0.29455737663 0.377186476638 0.244997307066} H5 20 1 1 {} {0.236216840403 0.38004699173 0.226562610308} H6 21 1 1 {} {0.106503840593 0.463147234547 0.171069720265} H7 22 1 1 {} {0.117218017161 0.43941126405 0.283384281246} H8 23 1 1 {} {0.154832664644 0.415892090927 0.197772188807} H9 24 1 1 {} {0.169882357287 0.585705389325 0.101481482746} H10 25 1 1 {} {0.100829761907 0.582787005128 0.29290423209} H11 26 1 1 {} {0.372433566149 0.560596810915 0.264760275721} H12 27 1 1 {} {0.355140983659 0.598634165754 0.416089779684} H13 28 1 1 {} {0.469628982145 0.427072098466 0.402591096864} H14 29 1 1 {} {0.44486617255 0.449760317838 0.252816575805} H15 30 1 1 {} {0.339210452976 0.372441839909 0.438779628604} H16 31 1 1 {} {0.410400716269 0.388451608746 0.517188812216} H17 32 1 1 {} {0.309748018643 0.476284169023 0.5524399887} H18 33 1 1 {} {0.356879986578 0.491134384329 0.607622654035} H19 34 1 1 {} {0.488433689696 0.56612385758 0.310516424575} H20 35 1 1 {} {0.459873356457 0.580859836546 0.403855653725} H21 36 1 6 {} {0.652695191497 0.639888086292 0.493018862263} C4 37 1 14 {} {0.612647401681 0.575659610852 0.449940738487} Si6 38 1 14 {} {0.647639934403 0.726042727814 0.447232582863} Si7 39 1 8 {} {0.603851676171 0.584256422899 0.341739142754} O5 40 1 8 {} {0.63257019767 0.500458255466 0.47041767862} O6 41 1 6 {} {0.557871716507 0.580404611669 0.506908269512} C5 42 1 6 {} {0.59921884285 0.775626605595 0.491562172121} C6 43 1 8 {} {0.644135819681 0.713890855433 0.336983945896} O7 44 1 8 {} {0.694496805892 0.769505416878 0.462325735681} O8 45 1 14 {} {0.64064422373 0.421957717814 0.442467501563} Si8 46 1 7 {} {0.594544313539 0.370647272932 0.459672012062} N4 47 1 14 {} {0.574980509999 0.32136376882 0.370845323763} Si9 48 1 14 {} {0.569954954871 0.365673850254 0.566335525484} Si10 49 1 7 {} {0.605184781221 0.385204307005 0.653505796949} N5 50 1 7 {} {0.609489142036 0.258343057912 0.333066819112} N6 51 1 1 {} {0.647357039524 0.641048670724 0.565794217477} H22 52 1 1 {} {0.687418770804 0.623579619678 0.481404183272} H23 53 1 1 {} {0.617964153745 0.623597476679 0.314886873455} H24 54 1 1 {} {0.559090548781 0.576136693113 0.580153566501} H25 55 1 1 {} {0.539100636276 0.537727280015 0.479665523001} H26 56 1 1 {} {0.54030592247 0.626832677385 0.489434944183} H27 57 1 1 {} {0.59836759295 0.826251629764 0.462624344553} H28 58 1 1 {} {0.601517606195 0.78143868603 0.564437647203} H29 59 1 1 {} {0.566872005679 0.751989207662 0.477235294459} H30 60 1 1 {} {0.650688679805 0.751533980469 0.298177856397} H31 61 1 1 {} {0.694627426645 0.80300242485 0.509411441788} H32 62 1 1 {} {0.651704181094 0.41688533481 0.345434616912} H33 63 1 1 {} {0.679543963352 0.400575476441 0.497460166752} H34 64 1 1 {} {0.533092742072 0.28927010997 0.403772808216} H35 65 1 1 {} {0.566698593316 0.36409313556 0.291050006187} H36 66 1 1 {} {0.532319713808 0.413931056662 0.574025588378} H37 67 1 1 {} {0.553495204384 0.295966163636 0.577554912177} H38 68 1 1 {} {0.611405257367 0.434004360451 0.667363493443} H39 69 1 1 {} {0.632299516636 0.356309803625 0.66674267959} H40 70 1 1 {} {0.633914025637 0.268641324982 0.287888901507} H41 71 1 1 {} {0.618425545489 0.219317708506 0.372531047923} 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