#MD System 2.0 @Title neb0_image03 @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 {} {0.352959345249 0.550270497113 0.422146430742} C1 1 1 14 {} {0.333879927238 0.517239907797 0.533228509313} Si1 2 1 14 {} {0.408177021552 0.592409417761 0.417978080595} Si2 3 1 8 {} {0.337158806009 0.577539470122 0.608480190837} O1 4 1 8 {} {0.281018523136 0.495296539734 0.525267037858} O2 5 1 6 {} {0.365552528554 0.441294922223 0.568617534748} C2 6 1 6 {} {0.457255812979 0.534804611243 0.411706536648} C3 7 1 8 {} {0.409798063716 0.636790209423 0.513062587487} O3 8 1 8 {} {0.408509562031 0.643291431016 0.33018478678} O4 9 1 14 {} {0.228649561368 0.500860694688 0.555910983173} Si3 10 1 7 {} {0.209017601451 0.422166015923 0.587321194643} N1 11 1 14 {} {0.172973613021 0.417839966883 0.679121037052} Si4 12 1 14 {} {0.224604014775 0.352176181663 0.523358906081} Si5 13 1 7 {} {0.225835289391 0.364537696375 0.409769756605} N2 14 1 7 {} {0.125467068022 0.466160643638 0.671999128512} N3 15 1 1 {} {0.352500869472 0.509830802126 0.372126134197} H1 16 1 1 {} {0.328016867697 0.587427315524 0.400162115811} H2 17 1 1 {} {0.360937365043 0.609670091529 0.595424856623} H3 18 1 1 {} {0.362223565991 0.400297031815 0.520112827214} H4 19 1 1 {} {0.352872099252 0.423238286496 0.633112950172} H5 20 1 1 {} {0.401258780161 0.452271081891 0.576901745982} H6 21 1 1 {} {0.489040194783 0.562434881225 0.410930158649} H7 22 1 1 {} {0.455830379758 0.504196285467 0.350725117792} H8 23 1 1 {} {0.458217789113 0.500638254948 0.469121068231} H9 24 1 1 {} {0.435040159533 0.666112372014 0.523356378063} H10 25 1 1 {} {0.436852827699 0.652084036204 0.301412547229} H11 26 1 1 {} {0.222877088895 0.546536556209 0.633896306582} H12 27 1 1 {} {0.203139953255 0.527438151552 0.478180228538} H13 28 1 1 {} {0.160086522621 0.34611109618 0.687304185929} H14 29 1 1 {} {0.196013154464 0.442155553861 0.761070627806} H15 30 1 1 {} {0.270541584931 0.330463704251 0.548286608518} H16 31 1 1 {} {0.191482088939 0.298736577618 0.543662709233} H17 32 1 1 {} {0.252266717168 0.388523954736 0.381829197088} H18 33 1 1 {} {0.197359558575 0.375190609235 0.37576714284} H19 34 1 1 {} {0.125274414547 0.513738615736 0.695763637519} H20 35 1 1 {} {0.102797458222 0.460208459824 0.622220451717} H21 36 1 6 {} {0.589017382935 0.332403375524 0.309718351097} C4 37 1 14 {} {0.5842218995 0.36590387147 0.426710392681} Si6 38 1 14 {} {0.573061288928 0.24329609201 0.291765926807} Si7 39 1 8 {} {0.612871707618 0.316891894662 0.494713944227} O5 40 1 8 {} {0.606890713271 0.441038916748 0.431698276596} O6 41 1 6 {} {0.524987533096 0.374648013652 0.463305461953} C5 42 1 6 {} {0.512164231051 0.232707682216 0.268162222208} C6 43 1 8 {} {0.588326537193 0.204679434661 0.386067551241} O7 44 1 8 {} {0.602768390426 0.206308183835 0.211919321218} O8 45 1 14 {} {0.650630871317 0.485805919768 0.460433220699} Si8 46 1 7 {} {0.63505888119 0.566919269579 0.487124065746} N4 47 1 14 {} {0.641562520421 0.594581202177 0.597927076012} Si9 48 1 14 {} {0.611183967056 0.620584118836 0.408461421588} Si10 49 1 7 {} {0.622264766524 0.60147480389 0.298277965233} N5 50 1 7 {} {0.694313598383 0.614261147703 0.633909755044} N6 51 1 1 {} {0.569596682427 0.364161002348 0.263758650452} H22 52 1 1 {} {0.6243403438 0.337537143652 0.290117793546} H23 53 1 1 {} {0.611312326341 0.26975410308 0.477228585944} H24 54 1 1 {} {0.505880809166 0.407611197637 0.418775841798} H25 55 1 1 {} {0.523764568663 0.396138884907 0.53083758829} H26 56 1 1 {} {0.508196492589 0.325748223518 0.465701113232} H27 57 1 1 {} {0.502827346834 0.179593891945 0.263508245182} H28 58 1 1 {} {0.502927227258 0.256876878592 0.204792176199} H29 59 1 1 {} {0.4917400545 0.255621145779 0.320891287574} H30 60 1 1 {} {0.591008643974 0.156330627356 0.383820749826} H31 61 1 1 {} {0.589571119988 0.202299830902 0.153181981495} H32 62 1 1 {} {0.672618986441 0.457037910656 0.540993063021} H33 63 1 1 {} {0.68233976155 0.485426372669 0.383710275536} H34 64 1 1 {} {0.61407407822 0.656725577842 0.604517534133} H35 65 1 1 {} {0.625223662303 0.541545925471 0.659726538292} H36 66 1 1 {} {0.561506044969 0.619679396181 0.41609757832} H37 67 1 1 {} {0.62816757988 0.689356132148 0.426593204952} H38 68 1 1 {} {0.605942302242 0.562772518669 0.268804063279} H39 69 1 1 {} {0.653927970973 0.604851761314 0.274525443839} H40 70 1 1 {} {0.715736390851 0.57716917295 0.651927762496} H41 71 1 1 {} {0.711319103337 0.653402782807 0.606862176698} 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