#MD System 2.0 @Title neb0_image07 @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 {} {0.218292012192 0.52629991523 0.331192369427} C1 1 1 14 {} {0.272224075572 0.489327428517 0.289419548899} Si1 2 1 14 {} {0.171604582181 0.534773384831 0.250219710703} Si2 3 1 8 {} {0.284791030355 0.522297532672 0.191514709923} O1 4 1 8 {} {0.312094349157 0.509708565448 0.360306108645} O2 5 1 6 {} {0.27026797991 0.396126009232 0.282412267532} C2 6 1 6 {} {0.140064248027 0.455069341858 0.232478500272} C3 7 1 8 {} {0.196091249024 0.560753966605 0.155966959286} O3 8 1 8 {} {0.136231894398 0.595867177276 0.277259038612} O4 9 1 14 {} {0.363598211003 0.538657426419 0.365287970008} Si3 10 1 7 {} {0.397739940106 0.475181866204 0.407370577878} N1 11 1 14 {} {0.451843810523 0.473335045519 0.36426326017} Si4 12 1 14 {} {0.377900600262 0.421131901066 0.490169604378} Si5 13 1 7 {} {0.348843507529 0.459155718622 0.575536160331} N2 14 1 7 {} {0.470503209994 0.55493919639 0.365509777452} N3 15 1 1 {} {0.206681681927 0.497680003138 0.389685691954} H1 16 1 1 {} {0.226155755593 0.577138737658 0.35537216919} H2 17 1 1 {} {0.259305043855 0.54250737274 0.160816298288} H3 18 1 1 {} {0.265104439929 0.373107651068 0.348223401768} H4 19 1 1 {} {0.301982707866 0.377076717138 0.255647139322} H5 20 1 1 {} {0.243492921626 0.379042741575 0.237704948019} H6 21 1 1 {} {0.113550920537 0.461269110519 0.18243539579} H7 22 1 1 {} {0.124525547258 0.437347128198 0.294668831617} H8 23 1 1 {} {0.162463375057 0.415254652484 0.20888340968} H9 24 1 1 {} {0.177575111431 0.583735680292 0.112719716684} H10 25 1 1 {} {0.107853036345 0.583480868469 0.303285352773} H11 26 1 1 {} {0.380021661685 0.55845501818 0.275542612427} H12 27 1 1 {} {0.36260295332 0.597311872932 0.426534062778} H13 28 1 1 {} {0.47685714034 0.422623219481 0.418147187357} H14 29 1 1 {} {0.454823063645 0.455292891635 0.267592604274} H15 30 1 1 {} {0.346567871215 0.372190613498 0.44967141621} H16 31 1 1 {} {0.417527917051 0.387178056093 0.529058834712} H17 32 1 1 {} {0.317224065017 0.475713796876 0.564307811544} H18 33 1 1 {} {0.364916193582 0.48965929824 0.619397206353} H19 34 1 1 {} {0.49656070701 0.567827668755 0.32550648612} H20 35 1 1 {} {0.475261676846 0.576563284334 0.426311300429} H21 36 1 6 {} {0.64271895527 0.639989198414 0.48142635283} C4 37 1 14 {} {0.603901438233 0.576313336256 0.434332387768} Si6 38 1 14 {} {0.639584201724 0.726310551084 0.436464362385} Si7 39 1 8 {} {0.599586937424 0.584271525183 0.325001694391} O5 40 1 8 {} {0.622345676481 0.500798789191 0.457753766663} O6 41 1 6 {} {0.547920230347 0.583031355197 0.487378850812} C5 42 1 6 {} {0.591973096652 0.776606937574 0.48134573664} C6 43 1 8 {} {0.635213118943 0.71537399077 0.326115041565} O7 44 1 8 {} {0.687173235365 0.767656007587 0.452193495556} O8 45 1 14 {} {0.632800803741 0.422951010859 0.429946172707} Si8 46 1 7 {} {0.587372079691 0.370812416055 0.447920520777} N4 47 1 14 {} {0.567839559328 0.321704591793 0.359498169924} Si9 48 1 14 {} {0.562776021426 0.367499049949 0.554805106593} Si10 49 1 7 {} {0.598139544316 0.386359288862 0.641235958546} N5 50 1 7 {} {0.602774020169 0.258825484529 0.321990089001} N6 51 1 1 {} {0.637810702456 0.64099698289 0.554278787372} H22 52 1 1 {} {0.676581183814 0.621070373488 0.469057625296} H23 53 1 1 {} {0.612239858066 0.626072510261 0.302264692294} H24 54 1 1 {} {0.546962901695 0.572946946288 0.559547714102} H25 55 1 1 {} {0.528719297829 0.54292376329 0.455642838413} H26 56 1 1 {} {0.531824453607 0.631210945326 0.473009137257} H27 57 1 1 {} {0.591222249813 0.827037671625 0.451919831156} H28 58 1 1 {} {0.594015917957 0.782176323957 0.554283748307} H29 59 1 1 {} {0.559893807749 0.75252705427 0.466154413221} H30 60 1 1 {} {0.643251851816 0.752758308877 0.288162702338} H31 61 1 1 {} {0.687509418947 0.802652702162 0.49689562705} H32 62 1 1 {} {0.644243569979 0.418071631852 0.33326346006} H33 63 1 1 {} {0.671936579918 0.402788077173 0.484781617652} H34 64 1 1 {} {0.52614245217 0.289711966053 0.392456387108} H35 65 1 1 {} {0.559699395297 0.364479353675 0.280197672836} H36 66 1 1 {} {0.525557014488 0.417033931436 0.561326790973} H37 67 1 1 {} {0.545517605572 0.298114598472 0.566325987737} H38 68 1 1 {} {0.604451026103 0.434725991171 0.656470250579} H39 69 1 1 {} {0.624897592666 0.357318175119 0.654641272744} H40 70 1 1 {} {0.627522742441 0.27006573636 0.277846127612} H41 71 1 1 {} {0.612414822451 0.221035509547 0.363455293915} 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