#MD System 2.0 @Title neb0_image02 @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 {} {0.205135721298 0.528998979968 0.309613478233} C1 1 1 14 {} {0.258972436673 0.49168787199 0.268310984715} Si1 2 1 14 {} {0.158326787091 0.537145793624 0.228899425181} Si2 3 1 8 {} {0.271460523482 0.523796252938 0.169834912101} O1 4 1 8 {} {0.299300479188 0.51191180416 0.33865893656} O2 5 1 6 {} {0.256989871904 0.39853746448 0.261510764025} C2 6 1 6 {} {0.126752717487 0.457442485063 0.211240744232} C3 7 1 8 {} {0.182591270111 0.562607137745 0.134304957967} O3 8 1 8 {} {0.123141070714 0.598196930979 0.256746116181} O4 9 1 14 {} {0.350653328314 0.541200715242 0.344446049629} Si3 10 1 7 {} {0.385462760725 0.47837152526 0.386045704038} N1 11 1 14 {} {0.439593944573 0.476007349327 0.34420328316} Si4 12 1 14 {} {0.36518854295 0.423973349186 0.468869238081} Si5 13 1 7 {} {0.335597489691 0.46118177937 0.554134478163} N2 14 1 7 {} {0.461586340464 0.555665983174 0.350211583652} N3 15 1 1 {} {0.193554948526 0.500348999682 0.368029669407} H1 16 1 1 {} {0.213173319282 0.579828558239 0.333466043322} H2 17 1 1 {} {0.246346539344 0.544924315144 0.139079016718} H3 18 1 1 {} {0.251761149905 0.375051177773 0.326958247659} H4 19 1 1 {} {0.288667273464 0.379275838822 0.234858967246} H5 20 1 1 {} {0.230232258502 0.381716246374 0.216618146608} H6 21 1 1 {} {0.100346470222 0.463957075896 0.160966682189} H7 22 1 1 {} {0.111084672458 0.439829919251 0.273376504441} H8 23 1 1 {} {0.14914710478 0.417580674588 0.187647046872} H9 24 1 1 {} {0.164058997449 0.586266611504 0.091582636198} H10 25 1 1 {} {0.0946799390458 0.585643265022 0.282433459523} H11 26 1 1 {} {0.367053386495 0.561262019922 0.254934533461} H12 27 1 1 {} {0.349419573525 0.599799551759 0.405361651728} H13 28 1 1 {} {0.46357643 0.423698611698 0.396746539319} H14 29 1 1 {} {0.441687347979 0.458549917943 0.247762802035} H15 30 1 1 {} {0.333805248045 0.374854769077 0.428159820178} H16 31 1 1 {} {0.404639398992 0.389470692988 0.507716779549} H17 32 1 1 {} {0.30407948184 0.477699342156 0.542540847421} H18 33 1 1 {} {0.351346987717 0.492263819117 0.597767690447} H19 34 1 1 {} {0.48479262872 0.57073436154 0.304870979356} H20 35 1 1 {} {0.467022423082 0.578417653163 0.409719467978} H21 36 1 6 {} {0.655228857959 0.637336018196 0.502569994156} C4 37 1 14 {} {0.615696412237 0.573330346826 0.455546769813} Si6 38 1 14 {} {0.65261418109 0.723944387519 0.45787157413} Si7 39 1 8 {} {0.612524353938 0.581854292267 0.345914542335} O5 40 1 8 {} {0.635819308654 0.498811328105 0.479290484953} O6 41 1 6 {} {0.558788437006 0.579394164595 0.505549672618} C5 42 1 6 {} {0.605092789101 0.774516104774 0.502880729839} C6 43 1 8 {} {0.648382091269 0.71296033115 0.347327020829} O7 44 1 8 {} {0.700108677394 0.76579919584 0.472899192925} O8 45 1 14 {} {0.646077667451 0.420835577666 0.451706227254} Si8 46 1 7 {} {0.600856095756 0.368432005873 0.469273474527} N4 47 1 14 {} {0.581380695795 0.319316082884 0.380824395566} Si9 48 1 14 {} {0.575804980425 0.364782904552 0.574807085928} Si10 49 1 7 {} {0.611630722461 0.384103486221 0.661991318588} N5 50 1 7 {} {0.6155471873 0.25635285949 0.342373340883} N6 51 1 1 {} {0.651197835748 0.638691556203 0.575637837789} H22 52 1 1 {} {0.689399308874 0.619109585901 0.489920003864} H23 53 1 1 {} {0.625391744357 0.623695811837 0.323485507822} H24 54 1 1 {} {0.558449569986 0.57004863393 0.577817465978} H25 55 1 1 {} {0.537218433886 0.541921227729 0.473622164309} H26 56 1 1 {} {0.544053120142 0.629002178037 0.49356816771} H27 57 1 1 {} {0.604349258807 0.824849389814 0.47313799627} H28 58 1 1 {} {0.607105971888 0.780154600997 0.575849905604} H29 59 1 1 {} {0.572997128132 0.750425882057 0.487744772098} H30 60 1 1 {} {0.656551602044 0.750291937201 0.309258759678} H31 61 1 1 {} {0.700591179944 0.800348298739 0.517962222544} H32 62 1 1 {} {0.657445787637 0.415710282764 0.354547518479} H33 63 1 1 {} {0.685314815563 0.400486399974 0.506535682004} H34 64 1 1 {} {0.539343037958 0.288040350234 0.413811980069} H35 65 1 1 {} {0.572962673212 0.362491800937 0.301306706415} H36 66 1 1 {} {0.538501854764 0.413796545311 0.582912863711} H37 67 1 1 {} {0.559105686196 0.295050378184 0.587838256162} H38 68 1 1 {} {0.617374635066 0.432616131257 0.677678063137} H39 69 1 1 {} {0.638159645417 0.355006890446 0.676409092698} H40 70 1 1 {} {0.640278677728 0.26753627128 0.298612179893} H41 71 1 1 {} {0.625104589581 0.218360793672 0.383697012171} 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