#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 {} {0.361946344595 0.556240720657 0.413228688661} C1 1 1 14 {} {0.338566461055 0.529663929861 0.523823444459} Si1 2 1 14 {} {0.423535602596 0.567032660475 0.408821310646} Si2 3 1 8 {} {0.351751435458 0.586422950357 0.599971141629} O1 4 1 8 {} {0.283740645864 0.528106286934 0.516827359185} O2 5 1 6 {} {0.357518278686 0.444414785136 0.558651574631} C2 6 1 6 {} {0.454651694094 0.48663200737 0.39425308683} C3 7 1 8 {} {0.436475260683 0.602007547323 0.507728361029} O3 8 1 8 {} {0.436401773626 0.61869652963 0.325930518418} O4 9 1 14 {} {0.233194489531 0.532474968247 0.558243774515} Si3 10 1 7 {} {0.213580068967 0.454361895925 0.592373104871} N1 11 1 14 {} {0.191093488442 0.446039960457 0.699853053805} Si4 12 1 14 {} {0.21409664562 0.386651449891 0.517259406337} Si5 13 1 7 {} {0.208027182534 0.407856002906 0.406855111367} N2 14 1 7 {} {0.140676259109 0.485105025551 0.719995815976} N3 15 1 1 {} {0.35194362005 0.520506094222 0.360942455539} H1 16 1 1 {} {0.34636734377 0.604571769565 0.396229595363} H2 17 1 1 {} {0.38163130855 0.604766819449 0.590353740102} H3 18 1 1 {} {0.348822142199 0.405815842725 0.509304901619} H4 19 1 1 {} {0.34178932285 0.430596409815 0.622324393936} H5 20 1 1 {} {0.393825801936 0.443183431706 0.568620901199} H6 21 1 1 {} {0.490708150505 0.496298230571 0.39117980008} H7 22 1 1 {} {0.445103308716 0.46228249399 0.331212241081} H8 23 1 1 {} {0.448457679862 0.451082547609 0.448846687722} H9 24 1 1 {} {0.467289975751 0.616239794005 0.513928912197} H10 25 1 1 {} {0.468409172514 0.62008131633 0.314473027016} H11 26 1 1 {} {0.23150298903 0.576655141709 0.638483201178} H12 27 1 1 {} {0.204310579201 0.560566698907 0.486579870736} H13 28 1 1 {} {0.184400430938 0.37295525559 0.714123934032} H14 29 1 1 {} {0.222655307391 0.475229443021 0.765874691871} H15 30 1 1 {} {0.257374910227 0.350070010166 0.523110271935} H16 31 1 1 {} {0.176512642016 0.342047300283 0.543890490534} H17 32 1 1 {} {0.235023408946 0.422501592608 0.370817987979} H18 33 1 1 {} {0.180014245701 0.431262940243 0.384701657564} H19 34 1 1 {} {0.139882862355 0.534703112399 0.734982213965} H20 35 1 1 {} {0.112634816683 0.471307052036 0.686481564786} H21 36 1 6 {} {0.628956948385 0.636420438748 0.349700031232} C4 37 1 14 {} {0.585936064036 0.573923882298 0.38713914091} Si6 38 1 14 {} {0.62328779614 0.724881031736 0.386227596293} Si7 39 1 8 {} {0.535872475693 0.610328006436 0.381678433526} O5 40 1 8 {} {0.586528491373 0.509421279992 0.319978413754} O6 41 1 6 {} {0.596800849895 0.541971569012 0.502046548908} C5 42 1 6 {} {0.641405381466 0.741898478303 0.503431957492} C6 43 1 8 {} {0.568409012463 0.739699280193 0.374744296709} O7 44 1 8 {} {0.651070445141 0.774183043313 0.316377212776} O8 45 1 14 {} {0.580185958456 0.448952021633 0.247140098191} Si8 46 1 7 {} {0.592778242714 0.3709463197 0.290095913412} N4 47 1 14 {} {0.549042919874 0.314521126575 0.313456350915} Si9 48 1 14 {} {0.647221356694 0.345577429419 0.315390914333} Si10 49 1 7 {} {0.688320644736 0.391798558541 0.264189646922} N5 50 1 7 {} {0.525189767458 0.271530227888 0.226644936428} N6 51 1 1 {} {0.662344915561 0.618049100108 0.368454805587} H22 52 1 1 {} {0.628134239101 0.637171213627 0.276055868304} H23 53 1 1 {} {0.538485533259 0.659334213849 0.377092478177} H24 54 1 1 {} {0.628921193794 0.515392067205 0.50484655175} H25 55 1 1 {} {0.570672208967 0.506459713342 0.522352427567} H26 56 1 1 {} {0.597711169261 0.582522333971 0.551633428904} H27 57 1 1 {} {0.636158073693 0.794684385398 0.521619035843} H28 58 1 1 {} {0.676996992624 0.730489900922 0.512797729934} H29 59 1 1 {} {0.622422228819 0.711349651847 0.551189487922} H30 60 1 1 {} {0.557921634761 0.785534010761 0.371827620761} H31 61 1 1 {} {0.668940234834 0.809932765782 0.341428328359} H32 62 1 1 {} {0.532530810138 0.447051016089 0.218348547368} H33 63 1 1 {} {0.609407765467 0.465091700537 0.169638159353} H34 64 1 1 {} {0.569043690001 0.263840578108 0.374801574841} H35 65 1 1 {} {0.512263073403 0.352586724284 0.356894577541} H36 66 1 1 {} {0.656540127899 0.351705772142 0.412878573292} H37 67 1 1 {} {0.651085055398 0.274146324505 0.287236279368} H38 68 1 1 {} {0.701591281292 0.432590278307 0.294554914795} H39 69 1 1 {} {0.691260055225 0.394738705883 0.196838286349} H40 70 1 1 {} {0.50299746173 0.294706787716 0.185787092409} H41 71 1 1 {} {0.542572585416 0.236076305585 0.192756084998} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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