#MD System 2.0 @Title neb0_image01 @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 {} {0.202620028926 0.529266023786 0.305258429187} C1 1 1 14 {} {0.256447123176 0.491865401206 0.263533282167} Si1 2 1 14 {} {0.155881786051 0.537578721075 0.224572802044} Si2 3 1 8 {} {0.26883624375 0.524354119306 0.165258647543} O1 4 1 8 {} {0.296705542609 0.511937816565 0.333982852043} O2 5 1 6 {} {0.254356111132 0.398649895039 0.257008513685} C2 6 1 6 {} {0.124179648051 0.458039747365 0.206968812013} C3 7 1 8 {} {0.180191646227 0.563157259873 0.129993136804} O3 8 1 8 {} {0.120732626554 0.598557997832 0.252561425654} O4 9 1 14 {} {0.348022850747 0.541397567556 0.339816414173} Si3 10 1 7 {} {0.382859776304 0.478768887565 0.381848561627} N1 11 1 14 {} {0.43728557076 0.476810171925 0.340937048553} Si4 12 1 14 {} {0.362375038034 0.424262914886 0.464282135634} Si5 13 1 7 {} {0.332950160507 0.461746957115 0.549658542543} N2 14 1 7 {} {0.459410492406 0.556348762607 0.347383641446} N3 15 1 1 {} {0.190899564374 0.500824795483 0.363831656104} H1 16 1 1 {} {0.210535730213 0.580167480927 0.329181754121} H2 17 1 1 {} {0.243531755085 0.545434597958 0.134843570736} H3 18 1 1 {} {0.24915564737 0.375564039386 0.322742693631} H4 19 1 1 {} {0.286052198542 0.379548555658 0.230311186322} H5 20 1 1 {} {0.22755746279 0.381820238599 0.212232473894} H6 21 1 1 {} {0.0977117742258 0.46450431277 0.156881587388} H7 22 1 1 {} {0.10854198716 0.440554302195 0.269157815026} H8 23 1 1 {} {0.146395831417 0.417997892246 0.183390004958} H9 24 1 1 {} {0.161661534193 0.586778042671 0.087264486407} H10 25 1 1 {} {0.0921607159455 0.585933368452 0.277971183414} H11 26 1 1 {} {0.364494614498 0.561632244962 0.250296076684} H12 27 1 1 {} {0.346642539998 0.600064522753 0.400830104766} H13 28 1 1 {} {0.461005622693 0.424023189111 0.392988572233} H14 29 1 1 {} {0.439156302544 0.459558401562 0.244204204742} H15 30 1 1 {} {0.330975904384 0.375166688406 0.423638700746} H16 31 1 1 {} {0.401879942067 0.389884749823 0.503388961538} H17 32 1 1 {} {0.30136698325 0.478096829986 0.538290813804} H18 33 1 1 {} {0.348802353065 0.492614478348 0.593454303858} H19 34 1 1 {} {0.482151676466 0.571465008819 0.300986880487} H20 35 1 1 {} {0.465320473296 0.578791815962 0.406829396189} H21 36 1 6 {} {0.657708297744 0.637140180068 0.507057930577} C4 37 1 14 {} {0.61823548347 0.572955886932 0.459625015004} Si6 38 1 14 {} {0.655343174979 0.723563675764 0.461839765529} Si7 39 1 8 {} {0.616050390601 0.580991171176 0.349879288817} O5 40 1 8 {} {0.638383541478 0.498425403606 0.484090966904} O6 41 1 6 {} {0.561019517354 0.578826739288 0.508651210159} C5 42 1 6 {} {0.607683316639 0.773993083277 0.50655009806} C6 43 1 8 {} {0.652073838132 0.712311789215 0.351380749339} O7 44 1 8 {} {0.702731363214 0.765713630602 0.477477947635} O8 45 1 14 {} {0.648629215385 0.420386286938 0.456057516792} Si8 46 1 7 {} {0.603192439817 0.368294278037 0.473728968039} N4 47 1 14 {} {0.583545009852 0.319178272178 0.385190216173} Si9 48 1 14 {} {0.578480424462 0.364337785323 0.580086737762} Si10 49 1 7 {} {0.61352316819 0.383339698492 0.66738826436} N5 50 1 7 {} {0.618378924271 0.25640291902 0.347585886986} N6 51 1 1 {} {0.653775146841 0.638558697007 0.580147589327} H22 52 1 1 {} {0.691811280584 0.618628351215 0.494199819179} H23 53 1 1 {} {0.628249919911 0.623261110409 0.327674074946} H24 54 1 1 {} {0.56082008251 0.569242232134 0.580904684128} H25 55 1 1 {} {0.538962093984 0.541761684118 0.477056562309} H26 56 1 1 {} {0.546408991386 0.628620372315 0.497420346021} H27 57 1 1 {} {0.606869585187 0.824533834152 0.47738804979} H28 58 1 1 {} {0.609905934974 0.779493522248 0.579554430616} H29 59 1 1 {} {0.575501591788 0.749939116773 0.491901674781} H30 60 1 1 {} {0.659440181404 0.749991433137 0.31343690479} H31 61 1 1 {} {0.703143079043 0.800145768069 0.522880462889} H32 62 1 1 {} {0.660114036936 0.415304399147 0.359209971115} H33 63 1 1 {} {0.687835163692 0.399703681235 0.51086946444} H34 64 1 1 {} {0.541704757321 0.28737722757 0.418006145434} H35 65 1 1 {} {0.575399023593 0.361895149209 0.305500149794} H36 66 1 1 {} {0.540975182132 0.413204840445 0.586563017545} H37 67 1 1 {} {0.561641459652 0.294624570575 0.591563117233} H38 68 1 1 {} {0.620067767602 0.432171216821 0.681513651846} H39 69 1 1 {} {0.640674478715 0.354546418609 0.680438355081} H40 70 1 1 {} {0.642793151545 0.267206453186 0.302968796416} H41 71 1 1 {} {0.627751589868 0.218064387766 0.388239686813} 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