#MD System 2.0 @Title neb0_image06 @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 {} {0.217130106217 0.526526268593 0.328766975194} C1 1 1 14 {} {0.270805809286 0.489178390374 0.287051608845} Si1 2 1 14 {} {0.170509451744 0.534889265321 0.248162504981} Si2 3 1 8 {} {0.283333807857 0.520098042378 0.187896382993} O1 4 1 8 {} {0.309867372966 0.511758637189 0.358527089425} O2 5 1 6 {} {0.269299008464 0.395935474153 0.281413631479} C2 6 1 6 {} {0.138991997628 0.4551921775 0.230287983878} C3 7 1 8 {} {0.19505472498 0.56203693176 0.154905977007} O3 8 1 8 {} {0.135056052791 0.594995802036 0.276689650412} O4 9 1 14 {} {0.361716291772 0.539313834419 0.363046256274} Si3 10 1 7 {} {0.394600883057 0.473473363109 0.402843157457} N1 11 1 14 {} {0.445176268311 0.471420299406 0.348143539945} Si4 12 1 14 {} {0.376136224283 0.420766560854 0.489331262347} Si5 13 1 7 {} {0.347135156042 0.4590235823 0.575136237161} N2 14 1 7 {} {0.45289632102 0.561182239271 0.332061111981} N3 15 1 1 {} {0.205697906068 0.498055967424 0.387449287929} H1 16 1 1 {} {0.2253575361 0.577331453197 0.352502172057} H2 17 1 1 {} {0.258295598621 0.542707186345 0.158215298896} H3 18 1 1 {} {0.263984342532 0.372643319967 0.346965404986} H4 19 1 1 {} {0.300954466039 0.376712934563 0.254601059921} H5 20 1 1 {} {0.242489181699 0.379421579265 0.236500153562} H6 21 1 1 {} {0.112399460174 0.461756552548 0.180481132675} H7 22 1 1 {} {0.12333445308 0.438000151974 0.292677672095} H8 23 1 1 {} {0.161006410572 0.414814795098 0.206952794392} H9 24 1 1 {} {0.17615487791 0.584295895262 0.111143257928} H10 25 1 1 {} {0.106457052168 0.58214549683 0.302676309968} H11 26 1 1 {} {0.378079319682 0.558769947192 0.273541763648} H12 27 1 1 {} {0.361781570549 0.597704167771 0.425532034613} H13 28 1 1 {} {0.475748077564 0.430304658026 0.410083390381} H14 29 1 1 {} {0.450410274984 0.44296205424 0.256772702247} H15 30 1 1 {} {0.344699601624 0.370569267576 0.44939483222} H16 31 1 1 {} {0.416552017866 0.387348612874 0.527317273077} H17 32 1 1 {} {0.315994940035 0.476015868893 0.562877839693} H18 33 1 1 {} {0.363135560034 0.490408918719 0.617933739234} H19 34 1 1 {} {0.488724059828 0.562470771636 0.315314504894} H20 35 1 1 {} {0.447820042687 0.582365288292 0.39687825007} H21 36 1 6 {} {0.649840973963 0.641712926126 0.483319872016} C4 37 1 14 {} {0.61016634529 0.578149456369 0.444000383595} Si6 38 1 14 {} {0.64190328811 0.727270316337 0.437294356445} Si7 39 1 8 {} {0.597418948061 0.585904333971 0.33523063816} O5 40 1 8 {} {0.627186471379 0.500841615791 0.459323463578} O6 41 1 6 {} {0.559052133438 0.583438371521 0.510435951169} C5 42 1 6 {} {0.593114441688 0.776233116046 0.482396702312} C6 43 1 8 {} {0.63794591842 0.71473683609 0.327014933175} O7 44 1 8 {} {0.688628169283 0.77058195513 0.453145860983} O8 45 1 14 {} {0.634470131084 0.421980425664 0.432290781801} Si8 46 1 7 {} {0.588475420626 0.370914374892 0.450281176786} N4 47 1 14 {} {0.569110720215 0.321204576895 0.361723275666} Si9 48 1 14 {} {0.56359458332 0.367256533792 0.556814331898} Si10 49 1 7 {} {0.599416234834 0.386063127382 0.642346148352} N5 50 1 7 {} {0.603501266163 0.258468037773 0.322846606955} N6 51 1 1 {} {0.641098467411 0.641333785095 0.555214351159} H22 52 1 1 {} {0.684615191244 0.625769670006 0.472801803566} H23 53 1 1 {} {0.611587172109 0.624438305301 0.30530243881} H24 54 1 1 {} {0.559484478413 0.582574758683 0.584142469573} H25 55 1 1 {} {0.548179554887 0.533250572216 0.483214796677} H26 56 1 1 {} {0.537688842441 0.625621792514 0.484936556223} H27 57 1 1 {} {0.592285082136 0.826815432142 0.453155175691} H28 58 1 1 {} {0.595292155257 0.782094689149 0.555413180449} H29 59 1 1 {} {0.560691422309 0.752679188583 0.46787112507} H30 60 1 1 {} {0.644439884088 0.752432589165 0.288656336997} H31 61 1 1 {} {0.688536993623 0.803820837034 0.499192115397} H32 62 1 1 {} {0.645270768537 0.41764882999 0.334605994513} H33 63 1 1 {} {0.673746841735 0.401985654612 0.487040542932} H34 64 1 1 {} {0.5271744928 0.289550956739 0.394671488935} H35 65 1 1 {} {0.560804093791 0.364739004037 0.2819689374} H36 66 1 1 {} {0.526733748873 0.41625128627 0.56606474842} H37 67 1 1 {} {0.546633649901 0.297420531797 0.568463916069} H38 68 1 1 {} {0.60515566024 0.435019601097 0.659026838226} H39 69 1 1 {} {0.626611376495 0.356655847612 0.657321124164} H40 70 1 1 {} {0.628064920237 0.269586666234 0.279033971371} H41 71 1 1 {} {0.612971854094 0.220261281783 0.363171175961} 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