#MD System 2.0 @Title neb0_image09 @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 {} {0.224410745599 0.525177000529 0.341178649047} C1 1 1 14 {} {0.27808175443 0.488098291179 0.299230483323} Si1 2 1 14 {} {0.177829677253 0.533655444929 0.260346027053} Si2 3 1 8 {} {0.290933580053 0.520819395488 0.201304724548} O1 4 1 8 {} {0.316984855729 0.509583293127 0.371326507084} O2 5 1 6 {} {0.276545222389 0.39493498117 0.292663700955} C2 6 1 6 {} {0.146342951153 0.453920145803 0.242541406921} C3 7 1 8 {} {0.202338383766 0.559966219593 0.166210760226} O3 8 1 8 {} {0.14239427395 0.594552686322 0.287550636839} O4 9 1 14 {} {0.368723210262 0.537235248293 0.374630417555} Si3 10 1 7 {} {0.402086692364 0.471910285724 0.414490350364} N1 11 1 14 {} {0.453345652466 0.469532552618 0.363163875065} Si4 12 1 14 {} {0.38339362209 0.419114441264 0.500765564941} Si5 13 1 7 {} {0.354758387237 0.457870676072 0.586866568684} N2 14 1 7 {} {0.463434832777 0.556444551536 0.35533517179} N3 15 1 1 {} {0.21295262997 0.496552779223 0.399732635574} H1 16 1 1 {} {0.232462193076 0.575956244643 0.365345293042} H2 17 1 1 {} {0.265536585461 0.541365891077 0.170802539784} H3 18 1 1 {} {0.271344138902 0.371891206426 0.358423583425} H4 19 1 1 {} {0.308238670621 0.375867034947 0.265889229099} H5 20 1 1 {} {0.249775893622 0.377936709351 0.247913313893} H6 21 1 1 {} {0.119797582223 0.460158282926 0.192517266021} H7 22 1 1 {} {0.130777391549 0.436289903322 0.304769781495} H8 23 1 1 {} {0.168675414393 0.41399895016 0.218998817672} H9 24 1 1 {} {0.183755754952 0.582672187977 0.122941051687} H10 25 1 1 {} {0.114117690632 0.582064123425 0.313619409967} H11 26 1 1 {} {0.384789530871 0.556793400574 0.284483928166} H12 27 1 1 {} {0.369109297072 0.596311247307 0.436870391988} H13 28 1 1 {} {0.482241641964 0.427841805318 0.422410233427} H14 29 1 1 {} {0.458839612362 0.444591847624 0.270534790247} H15 30 1 1 {} {0.351941455252 0.368979196683 0.461087837568} H16 31 1 1 {} {0.423748043831 0.385768344602 0.539307417445} H17 32 1 1 {} {0.323275912956 0.474655125478 0.574884721431} H18 33 1 1 {} {0.371054381372 0.488664275767 0.629949202744} H19 34 1 1 {} {0.495247593856 0.565916413962 0.324940552099} H20 35 1 1 {} {0.458178118071 0.580620419068 0.414686970937} H21 36 1 6 {} {0.642279638525 0.64289648934 0.471464077298} C4 37 1 14 {} {0.602490806498 0.579680229575 0.430815314627} Si6 38 1 14 {} {0.634533668258 0.72864903153 0.425776112156} Si7 39 1 8 {} {0.592288633926 0.586891900141 0.322278591442} O5 40 1 8 {} {0.618763816804 0.501737389097 0.447145236597} O6 41 1 6 {} {0.549454176871 0.584572267192 0.493371967829} C5 42 1 6 {} {0.585837022127 0.777410661622 0.47111175588} C6 43 1 8 {} {0.629291046276 0.716612907856 0.315619949646} O7 44 1 8 {} {0.681630934942 0.771253536242 0.440949056972} O8 45 1 14 {} {0.626978468946 0.423703052732 0.419942711359} Si8 46 1 7 {} {0.58111701923 0.371996190737 0.438212797206} N4 47 1 14 {} {0.561685332167 0.322548969801 0.349606694427} Si9 48 1 14 {} {0.55677777674 0.36836631796 0.545142455108} Si10 49 1 7 {} {0.592576144343 0.386996710833 0.631411478736} N5 50 1 7 {} {0.596571808386 0.259974904516 0.311870580331} N6 51 1 1 {} {0.633399444018 0.642357209407 0.543041167301} H22 52 1 1 {} {0.677079015916 0.626045353944 0.460948389262} H23 53 1 1 {} {0.604290351823 0.626063065684 0.293304352205} H24 54 1 1 {} {0.549588818443 0.582164592456 0.567159794856} H25 55 1 1 {} {0.537462722244 0.536121347869 0.463520106039} H26 56 1 1 {} {0.529324065534 0.627226850423 0.470067009238} H27 57 1 1 {} {0.585075448413 0.82786581932 0.44165938227} H28 58 1 1 {} {0.587848356601 0.783245584208 0.543992255166} H29 59 1 1 {} {0.553637833369 0.753591964582 0.455905777777} H30 60 1 1 {} {0.636865567488 0.753860891386 0.277322450851} H31 61 1 1 {} {0.681415381597 0.804909742125 0.487214399948} H32 62 1 1 {} {0.638058656422 0.418801584758 0.322504701116} H33 63 1 1 {} {0.666147968922 0.403238483913 0.474912759442} H34 64 1 1 {} {0.51989255728 0.290660701592 0.38235777875} H35 65 1 1 {} {0.553408823644 0.365771364408 0.270141386127} H36 66 1 1 {} {0.520217670772 0.418028543617 0.554420155972} H37 67 1 1 {} {0.539307479139 0.298968035362 0.556268918369} H38 68 1 1 {} {0.598281687162 0.435890950106 0.6467573194} H39 69 1 1 {} {0.619399031082 0.358288788008 0.645442893617} H40 70 1 1 {} {0.62117825262 0.271100416482 0.26763677744} H41 71 1 1 {} {0.606059060123 0.22210055466 0.352797735364} 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