#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 {} {0.207716779626 0.528229184011 0.314039312208} C1 1 1 14 {} {0.261635035803 0.491208398054 0.272248952268} Si1 2 1 14 {} {0.161035335895 0.536700284475 0.233044568856} Si2 3 1 8 {} {0.274164165162 0.524145588058 0.174303621393} O1 4 1 8 {} {0.301613047665 0.511496853967 0.343069492623} O2 5 1 6 {} {0.259628647575 0.398035481519 0.265279036514} C2 6 1 6 {} {0.129447802861 0.457022654005 0.215284986648} C3 7 1 8 {} {0.185526949312 0.562548616136 0.138763994686} O3 8 1 8 {} {0.125712460519 0.597840286537 0.260108399933} O4 9 1 14 {} {0.353118582225 0.540465900393 0.348387309566} Si3 10 1 7 {} {0.387818760549 0.477524823709 0.390017326377} N1 11 1 14 {} {0.442152710671 0.475887510617 0.348805661646} Si4 12 1 14 {} {0.367440300413 0.423345989579 0.472756579979} Si5 13 1 7 {} {0.338292228515 0.461087607196 0.55814224909} N2 14 1 7 {} {0.463927446437 0.555732726712 0.3546588391} N3 15 1 1 {} {0.196088829114 0.499633620072 0.372501832508} H1 16 1 1 {} {0.21556568937 0.579082750074 0.338143064053} H2 17 1 1 {} {0.248700048394 0.544473573408 0.143616638884} H3 18 1 1 {} {0.25447302524 0.375004998114 0.331090862885} H4 19 1 1 {} {0.291352666414 0.379003183081 0.238510330203} H5 20 1 1 {} {0.232863353971 0.380989260295 0.220545426114} H6 21 1 1 {} {0.102940289 0.463254724978 0.16523185039} H7 22 1 1 {} {0.113899548681 0.439314391163 0.277480122458} H8 23 1 1 {} {0.151840816282 0.417186011864 0.191694590788} H9 24 1 1 {} {0.166997491768 0.585661465864 0.095624505357} H10 25 1 1 {} {0.0973029224717 0.585461759575 0.286071523485} H11 26 1 1 {} {0.369504566901 0.560489737182 0.25853150362} H12 27 1 1 {} {0.35195105115 0.599336974289 0.409451440165} H13 28 1 1 {} {0.466274711728 0.423601285068 0.401536111665} H14 29 1 1 {} {0.444328416285 0.458454834641 0.252045354054} H15 30 1 1 {} {0.335991467482 0.37417852636 0.432420469254} H16 31 1 1 {} {0.406930812492 0.389059263467 0.511961052472} H17 32 1 1 {} {0.306691036796 0.477600894301 0.547143089819} H18 33 1 1 {} {0.354285253928 0.491570970555 0.602097587369} H19 34 1 1 {} {0.487101535232 0.570508496432 0.309147068366} H20 35 1 1 {} {0.469658570196 0.57788807876 0.414627288079} H21 36 1 6 {} {0.652570599157 0.637652210562 0.498606209833} C4 37 1 14 {} {0.61311245977 0.573850789848 0.450811864281} Si6 38 1 14 {} {0.65017571291 0.724295379545 0.45373864671} Si7 39 1 8 {} {0.610548791301 0.582119077333 0.341168662163} O5 40 1 8 {} {0.632851500242 0.499075303336 0.47502887222} O6 41 1 6 {} {0.556141032218 0.579911525699 0.500322277548} C5 42 1 6 {} {0.602575539558 0.774716478739 0.49848276793} C6 43 1 8 {} {0.646028389396 0.713424315543 0.343247430114} O7 44 1 8 {} {0.69777273581 0.765670895165 0.469453726276} O8 45 1 14 {} {0.643323679028 0.42115332745 0.447103340282} Si8 46 1 7 {} {0.598022466968 0.369026502611 0.465469119043} N4 47 1 14 {} {0.578439749978 0.319657969636 0.37662988748} Si9 48 1 14 {} {0.573176353721 0.365529739716 0.571370193305} Si10 49 1 7 {} {0.608667346382 0.38445634241 0.658737982722} N5 50 1 7 {} {0.613345307892 0.257079243734 0.33928835532} N6 51 1 1 {} {0.648393421968 0.639134469601 0.571678488326} H22 52 1 1 {} {0.68663460638 0.618932968324 0.486143919301} H23 53 1 1 {} {0.623006794337 0.624352029959 0.319210788422} H24 54 1 1 {} {0.55616901458 0.570105491963 0.572451288321} H25 55 1 1 {} {0.534312043966 0.542733516366 0.46844640176} H26 56 1 1 {} {0.541562298462 0.629781422124 0.489096303482} H27 57 1 1 {} {0.60179815052 0.825132869955 0.469075640969} H28 58 1 1 {} {0.604612768058 0.780253758588 0.571426415112} H29 59 1 1 {} {0.570494249947 0.750572810791 0.483324101204} H30 60 1 1 {} {0.653887677993 0.750893440173 0.305258616369} H31 61 1 1 {} {0.698095723797 0.800690671607 0.514056792516} H32 62 1 1 {} {0.65484167381 0.416111710746 0.350437404908} H33 63 1 1 {} {0.682528730467 0.40079604707 0.501980478037} H34 64 1 1 {} {0.536637815431 0.287812295791 0.409604896169} H35 65 1 1 {} {0.570244793973 0.362612791066 0.297192601831} H36 66 1 1 {} {0.536076679893 0.414963363261 0.578105029077} H37 67 1 1 {} {0.556158761786 0.296129975068 0.583499851274} H38 68 1 1 {} {0.615052574076 0.432951472785 0.673570698742} H39 69 1 1 {} {0.635500538513 0.355371786879 0.671823247263} H40 70 1 1 {} {0.638010688331 0.268126508038 0.295052817543} H41 71 1 1 {} {0.622934837319 0.219197708679 0.380530954173} 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