#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 {} {0.354801386691 0.545419885751 0.422456533564} C1 1 1 14 {} {0.335720727002 0.51237610579 0.533462711129} Si1 2 1 14 {} {0.40996225683 0.587700420716 0.418209844175} Si2 3 1 8 {} {0.339037019316 0.572649962258 0.608740680181} O1 4 1 8 {} {0.282857477874 0.490356088352 0.525516773991} O2 5 1 6 {} {0.367399349024 0.436456536601 0.568888031179} C2 6 1 6 {} {0.45899779363 0.530205464282 0.411886595433} C3 7 1 8 {} {0.411643593551 0.631960960447 0.513390347202} O3 8 1 8 {} {0.41033112275 0.638596334974 0.330434097124} O4 9 1 14 {} {0.230476381931 0.495997062221 0.556148019058} Si3 10 1 7 {} {0.210860572411 0.417285802406 0.587586937958} N1 11 1 14 {} {0.174832968998 0.412993927936 0.679452673551} Si4 12 1 14 {} {0.22644986391 0.347274586164 0.523606334692} Si5 13 1 7 {} {0.227684444998 0.359595263093 0.409988318576} N2 14 1 7 {} {0.127307386319 0.461295388648 0.672313740812} N3 15 1 1 {} {0.354359064634 0.50500290295 0.372409529434} H1 16 1 1 {} {0.329864313707 0.582558290762 0.400431940285} H2 17 1 1 {} {0.362786162483 0.604822253253 0.595681618687} H3 18 1 1 {} {0.364068188866 0.395450838012 0.520407590599} H4 19 1 1 {} {0.354726793854 0.418386936903 0.633392729186} H5 20 1 1 {} {0.403114230481 0.447431982777 0.57716619293} H6 21 1 1 {} {0.490831905421 0.557664154797 0.411245470286} H7 22 1 1 {} {0.457586730133 0.499496412146 0.351049571807} H8 23 1 1 {} {0.459913297589 0.496115311355 0.469339311284} H9 24 1 1 {} {0.436880117105 0.66130842751 0.523602382771} H10 25 1 1 {} {0.438695771674 0.647268753599 0.301720542668} H11 26 1 1 {} {0.224739753532 0.541685243502 0.634115409812} H12 27 1 1 {} {0.205005993264 0.522605082743 0.478429243029} H13 28 1 1 {} {0.161963053316 0.341291800202 0.687602426426} H14 29 1 1 {} {0.197880260427 0.437354625742 0.761341551267} H15 30 1 1 {} {0.272377983658 0.325626741742 0.548524765069} H16 31 1 1 {} {0.193316027976 0.293887445243 0.543945887109} H17 32 1 1 {} {0.254103893279 0.383674808956 0.382109593615} H18 33 1 1 {} {0.199202288137 0.370364578372 0.376039032793} H19 34 1 1 {} {0.127136697517 0.508906554284 0.696015101689} H20 35 1 1 {} {0.104650042221 0.455364562193 0.622494935517} H21 36 1 6 {} {0.587181830899 0.337275934747 0.309428408349} C4 37 1 14 {} {0.582449490452 0.370691525538 0.426457321129} Si6 38 1 14 {} {0.571216052583 0.248201323664 0.291551167554} Si7 39 1 8 {} {0.611101655895 0.321715416363 0.494470021117} O5 40 1 8 {} {0.605024138379 0.44583084468 0.431407294705} O6 41 1 6 {} {0.523264886155 0.379221665796 0.463127987057} C5 42 1 6 {} {0.510328755707 0.237558216055 0.267927975465} C6 43 1 8 {} {0.586490949471 0.20951420023 0.385782603586} O7 44 1 8 {} {0.600909852324 0.211249488912 0.211626823549} O8 45 1 14 {} {0.648744374307 0.490620612842 0.460085108586} Si8 46 1 7 {} {0.633230541534 0.571698568762 0.487181182536} N4 47 1 14 {} {0.639702485659 0.599410954248 0.597531684784} Si9 48 1 14 {} {0.609322405545 0.625405354092 0.408116564637} Si10 49 1 7 {} {0.620471574616 0.60609586189 0.298288018201} N5 50 1 7 {} {0.692448234463 0.619222756545 0.633898465659} N6 51 1 1 {} {0.567750991815 0.369019728975 0.263474884352} H22 52 1 1 {} {0.622507310244 0.342394190088 0.289839784782} H23 53 1 1 {} {0.609481039561 0.274576740823 0.47694742496} H24 54 1 1 {} {0.504229619824 0.412099670737 0.418451744121} H25 55 1 1 {} {0.521937651523 0.400914285356 0.530494223814} H26 56 1 1 {} {0.506378236101 0.33040923232 0.465468014396} H27 57 1 1 {} {0.501005657289 0.184446653723 0.26327685306} H28 58 1 1 {} {0.501060786392 0.261699883129 0.204553282185} H29 59 1 1 {} {0.489899064734 0.26042917238 0.320674595375} H30 60 1 1 {} {0.589205226378 0.161167673077 0.383527208385} H31 61 1 1 {} {0.587716781509 0.207164702123 0.152883838284} H32 62 1 1 {} {0.670776185195 0.461904490298 0.540747062815} H33 63 1 1 {} {0.680467712814 0.490278356289 0.383425049931} H34 64 1 1 {} {0.612214999206 0.661499378353 0.604135190594} H35 65 1 1 {} {0.623372239004 0.546428288976 0.659199585541} H36 66 1 1 {} {0.559571774776 0.624608363225 0.415760899343} H37 67 1 1 {} {0.626322336594 0.69425512857 0.426177758223} H38 68 1 1 {} {0.604078895571 0.567714896168 0.268483003591} H39 69 1 1 {} {0.651995974543 0.609671820281 0.274264664719} H40 70 1 1 {} {0.713903933441 0.581962114048 0.651684596224} H41 71 1 1 {} {0.709503415088 0.658337347598 0.606589551389} 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