#MD System 2.0 @Title neb0_image08 @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 {} {0.225968189604 0.52489495362 0.344157608341} C1 1 1 14 {} {0.278789607176 0.48698037438 0.30140152163} Si1 2 1 14 {} {0.179923889575 0.533775259816 0.26360477677} Si2 3 1 8 {} {0.292658971921 0.517568241014 0.202976906987} O1 4 1 8 {} {0.314656537586 0.513775977905 0.377964504912} O2 5 1 6 {} {0.278660168096 0.393908198599 0.296880253666} C2 6 1 6 {} {0.148719202301 0.453804717194 0.245758773466} C3 7 1 8 {} {0.204728227087 0.561160284164 0.171157662673} O3 8 1 8 {} {0.144756578628 0.593563132276 0.292894917952} O4 9 1 14 {} {0.367285434875 0.534642265641 0.376548103225} Si3 10 1 7 {} {0.399162575497 0.464498898833 0.404347256288} N1 11 1 14 {} {0.441460541003 0.463081182872 0.329087178056} Si4 12 1 14 {} {0.383481837625 0.416984714395 0.504285638801} Si5 13 1 7 {} {0.355613146253 0.456884384137 0.593078038968} N2 14 1 7 {} {0.432082229534 0.565892015057 0.290396413508} N3 15 1 1 {} {0.215139433121 0.496386189448 0.403159621505} H1 16 1 1 {} {0.235220649532 0.575232102482 0.367958627661} H2 17 1 1 {} {0.26763656433 0.541060732894 0.173037403966} H3 18 1 1 {} {0.273228139823 0.370558140822 0.362345562751} H4 19 1 1 {} {0.310299147738 0.374793100462 0.270050789622} H5 20 1 1 {} {0.251952127024 0.377609481962 0.251753573226} H6 21 1 1 {} {0.122085583908 0.460371096392 0.196053413791} H7 22 1 1 {} {0.132977625964 0.436870331017 0.308139822541} H8 23 1 1 {} {0.170480556966 0.413007591568 0.222668984456} H9 24 1 1 {} {0.185280512781 0.582833332965 0.126428505826} H10 25 1 1 {} {0.115967531667 0.579650926669 0.318415819141} H11 26 1 1 {} {0.381977009353 0.555307805178 0.282998287003} H12 27 1 1 {} {0.372156861289 0.59564234841 0.44080797772} H13 28 1 1 {} {0.483224877445 0.450577585227 0.404578902341} H14 29 1 1 {} {0.450536600393 0.408754578602 0.252200746065} H15 30 1 1 {} {0.350777665537 0.361343715051 0.469916817602} H16 31 1 1 {} {0.425657627761 0.385205110955 0.5431793816} H17 32 1 1 {} {0.325863931717 0.47480093156 0.58055553001} H18 33 1 1 {} {0.371648005107 0.488342484161 0.633616676147} H19 34 1 1 {} {0.47309660688 0.560077455661 0.300065766772} H20 35 1 1 {} {0.393836188086 0.598830596451 0.350895273041} H21 36 1 6 {} {0.658890001954 0.646965609978 0.469622693887} C4 37 1 14 {} {0.611078404005 0.583544818484 0.44879920015} Si6 38 1 14 {} {0.637175361337 0.732331732445 0.420977987599} Si7 39 1 8 {} {0.584580794757 0.591042743146 0.346522775037} O5 40 1 8 {} {0.62785761385 0.504321408671 0.444273402431} O6 41 1 6 {} {0.568645088826 0.578215087511 0.534218025991} C5 42 1 6 {} {0.584601919557 0.776636002769 0.466617394974} C6 43 1 8 {} {0.629429389747 0.717859370951 0.311250834404} O7 44 1 8 {} {0.682283283573 0.782422493519 0.433299316185} O8 45 1 14 {} {0.626650690837 0.422032917012 0.417038574571} Si8 46 1 7 {} {0.579570067686 0.373445448535 0.437399213312} N4 47 1 14 {} {0.559657071062 0.321877788723 0.346595704224} Si9 48 1 14 {} {0.554738652814 0.367746168918 0.541340398173} Si10 49 1 7 {} {0.591540656152 0.386452241879 0.627654017785} N5 50 1 7 {} {0.593913808139 0.259809013007 0.307579594464} N6 51 1 1 {} {0.640740120622 0.645498141817 0.537819395089} H22 52 1 1 {} {0.698043101815 0.642099907949 0.466688134121} H23 53 1 1 {} {0.596402727925 0.623863649609 0.294866424549} H24 54 1 1 {} {0.580273640662 0.61167196513 0.6158206734} H25 55 1 1 {} {0.567771554854 0.515797167737 0.523430145644} H26 56 1 1 {} {0.538495259889 0.609329881692 0.494832710614} H27 57 1 1 {} {0.583294358928 0.827349085076 0.437277245913} H28 58 1 1 {} {0.586085424437 0.783642938013 0.53962704126} H29 59 1 1 {} {0.551854636382 0.753554232205 0.451425740944} H30 60 1 1 {} {0.634188383189 0.754232765195 0.270432801088} H31 61 1 1 {} {0.680233977394 0.810008787588 0.484856386595} H32 62 1 1 {} {0.6360316757 0.417169179877 0.317487808206} H33 63 1 1 {} {0.665795373227 0.399812300235 0.472454149713} H34 64 1 1 {} {0.517153182724 0.290097634473 0.379756915752} H35 65 1 1 {} {0.55084317086 0.367029042874 0.265898221118} H36 66 1 1 {} {0.519581403521 0.417800291557 0.55894035213} H37 67 1 1 {} {0.537164160264 0.298085438355 0.553006238848} H38 68 1 1 {} {0.595788588996 0.43654406929 0.644596975231} H39 69 1 1 {} {0.619858541649 0.357297519171 0.644314811169} H40 70 1 1 {} {0.617579458147 0.270775534331 0.264375341061} H41 71 1 1 {} {0.602895949725 0.222270298118 0.345344434992} 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