#MD System 2.0 @Title neb0_image05 @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 {} {0.36579731383 0.56596464245 0.41249723303} C1 1 1 14 {} {0.342413970307 0.539363131255 0.523085668447} Si1 2 1 14 {} {0.427263753551 0.576530399314 0.40807894856} Si2 3 1 8 {} {0.355590019458 0.596034380821 0.599241219333} O1 4 1 8 {} {0.287495100315 0.537687363163 0.516078434722} O2 5 1 6 {} {0.361348650222 0.454096744639 0.557877222349} C2 6 1 6 {} {0.457928807229 0.495549282608 0.393509568714} C3 7 1 8 {} {0.440166119413 0.611891440057 0.506785801841} O3 8 1 8 {} {0.439784143548 0.62870792933 0.325276543753} O4 9 1 14 {} {0.237048274803 0.541996065273 0.557386346672} Si3 10 1 7 {} {0.217409265023 0.464021958779 0.591547166573} N1 11 1 14 {} {0.194909831273 0.455727252567 0.698937724424} Si4 12 1 14 {} {0.217921967146 0.396334477635 0.516475717854} Si5 13 1 7 {} {0.21183756825 0.417543970987 0.406097457943} N2 14 1 7 {} {0.144472165191 0.494667985434 0.719268178938} N3 15 1 1 {} {0.355774245811 0.530221652386 0.360231826858} H1 16 1 1 {} {0.35019698489 0.614241687678 0.395478559154} H2 17 1 1 {} {0.385463286011 0.614437380436 0.589493711326} H3 18 1 1 {} {0.352657487381 0.41550725724 0.508534195928} H4 19 1 1 {} {0.345622406683 0.440260842967 0.621573974996} H5 20 1 1 {} {0.397673843446 0.452865504354 0.567814561747} H6 21 1 1 {} {0.493803579351 0.505350307106 0.39040333327} H7 22 1 1 {} {0.448537377626 0.471468265223 0.330098313079} H8 23 1 1 {} {0.451815225524 0.460125170922 0.448353546944} H9 24 1 1 {} {0.471040057316 0.625615577476 0.513297124721} H10 25 1 1 {} {0.471610686575 0.629012608576 0.312629111044} H11 26 1 1 {} {0.235331722573 0.586299863256 0.637648048351} H12 27 1 1 {} {0.208148533174 0.570244687537 0.485737806445} H13 28 1 1 {} {0.188229109471 0.382620292666 0.71331202016} H14 29 1 1 {} {0.226454591936 0.484887542535 0.765073358348} H15 30 1 1 {} {0.261216565902 0.359716463957 0.522308011712} H16 31 1 1 {} {0.180340798434 0.351674954122 0.543111784267} H17 32 1 1 {} {0.238855156734 0.4321830617 0.370040523536} H18 33 1 1 {} {0.183853739092 0.440906354724 0.383940702373} H19 34 1 1 {} {0.143714180415 0.544299995261 0.734178312437} H20 35 1 1 {} {0.116469420063 0.480958525591 0.685662883457} H21 36 1 6 {} {0.625377070302 0.626828329673 0.350412358691} C4 37 1 14 {} {0.58266909769 0.564286693804 0.387925730315} Si6 38 1 14 {} {0.619519781137 0.715207262084 0.387072300915} Si7 39 1 8 {} {0.533114524177 0.602223483143 0.382608146569} O5 40 1 8 {} {0.58277916755 0.499861589825 0.320740602638} O6 41 1 6 {} {0.593068839014 0.532263339676 0.502905155945} C5 42 1 6 {} {0.637600054061 0.732215373156 0.504232948737} C6 43 1 8 {} {0.564612789113 0.730081686773 0.375567000807} O7 44 1 8 {} {0.647183480551 0.764546120874 0.317189685952} O8 45 1 14 {} {0.576324147506 0.439375111745 0.247783119253} Si8 46 1 7 {} {0.58887070278 0.361226531803 0.29088599968} N4 47 1 14 {} {0.545240927799 0.305040736617 0.314586784048} Si9 48 1 14 {} {0.643441949386 0.335929022437 0.316192353066} Si10 49 1 7 {} {0.684475169974 0.382091816204 0.265095605974} N5 50 1 7 {} {0.521359018785 0.261895985469 0.227234875703} N6 51 1 1 {} {0.658716474872 0.608456370544 0.369195263822} H22 52 1 1 {} {0.624354121867 0.627500475343 0.276802093323} H23 53 1 1 {} {0.535767916224 0.650976459408 0.37819577731} H24 54 1 1 {} {0.625167790491 0.505667265 0.505711589906} H25 55 1 1 {} {0.566879174222 0.496808793267 0.523060032768} H26 56 1 1 {} {0.593932442442 0.572834483894 0.552464615471} H27 57 1 1 {} {0.632343075273 0.785000197508 0.522394403097} H28 58 1 1 {} {0.673194827598 0.72082179953 0.513597495021} H29 59 1 1 {} {0.618621025623 0.701681393592 0.552011676527} H30 60 1 1 {} {0.554106334027 0.775886071809 0.372591608507} H31 61 1 1 {} {0.66510161601 0.800228188451 0.342203540848} H32 62 1 1 {} {0.528678164025 0.437392699407 0.219113219274} H33 63 1 1 {} {0.605593714549 0.455416712556 0.170434154344} H34 64 1 1 {} {0.565189307459 0.254203241694 0.375591568202} H35 65 1 1 {} {0.508386289617 0.343006984028 0.357729246614} H36 66 1 1 {} {0.652701781064 0.342025064039 0.413684380892} H37 67 1 1 {} {0.647232595254 0.264487017849 0.288047609282} H38 68 1 1 {} {0.697765549952 0.422938194365 0.295366927841} H39 69 1 1 {} {0.687470362073 0.385063485032 0.197568313772} H40 70 1 1 {} {0.499162195815 0.285019119077 0.186629983802} H41 71 1 1 {} {0.538724897805 0.226434149308 0.193660499888} 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