#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 {} {0.22596816785 0.524735765873 0.346896743922} C1 1 1 14 {} {0.279438910435 0.487585692262 0.305804302087} Si1 2 1 14 {} {0.181116429662 0.533326267543 0.266785479943} Si2 3 1 8 {} {0.293861886657 0.516524014719 0.206754602441} O1 4 1 8 {} {0.310730907439 0.51576959178 0.389614139522} O2 5 1 6 {} {0.280756454275 0.393654113319 0.300368835896} C2 6 1 6 {} {0.150616208712 0.452989959703 0.248859229027} C3 7 1 8 {} {0.206311441802 0.561234663467 0.174180971343} O3 8 1 8 {} {0.145499530067 0.59380398632 0.296114966532} O4 9 1 14 {} {0.362454472588 0.529169581185 0.377635068157} Si3 10 1 7 {} {0.390697237526 0.455688766111 0.405093796471} N1 11 1 14 {} {0.44079840538 0.467611291222 0.331749038255} Si4 12 1 14 {} {0.38337357423 0.411931059055 0.505214243838} Si5 13 1 7 {} {0.359448567482 0.455245940452 0.589820904002} N2 14 1 7 {} {0.428785632862 0.549009135471 0.260447249945} N3 15 1 1 {} {0.216993091702 0.49573611516 0.406599778541} H1 16 1 1 {} {0.237362603863 0.574035379533 0.370500528964} H2 17 1 1 {} {0.26995035536 0.540916601508 0.175961999863} H3 18 1 1 {} {0.27555693781 0.370654261706 0.36650168135} H4 19 1 1 {} {0.312803114747 0.375024281475 0.273781087094} H5 20 1 1 {} {0.254156288044 0.376070030951 0.25492479388} H6 21 1 1 {} {0.124265989598 0.459337900734 0.19930957585} H7 22 1 1 {} {0.135269187387 0.436278177676 0.311764049916} H8 23 1 1 {} {0.172898249362 0.412751997448 0.226168341251} H9 24 1 1 {} {0.187678805324 0.582609017082 0.130451268101} H10 25 1 1 {} {0.118040631398 0.579324587039 0.322689002457} H11 26 1 1 {} {0.370900881904 0.551174233534 0.277934027086} H12 27 1 1 {} {0.375317559544 0.58915660486 0.441431994926} H13 28 1 1 {} {0.481884332876 0.462577937014 0.385918828346} H14 29 1 1 {} {0.444508891249 0.396031428111 0.250497827431} H15 30 1 1 {} {0.353648772909 0.360570171552 0.483144591511} H16 31 1 1 {} {0.424763273378 0.387438123336 0.542120469172} H17 32 1 1 {} {0.327809232741 0.474344200476 0.586259337623} H18 33 1 1 {} {0.374005648459 0.486130860257 0.635152875985} H19 34 1 1 {} {0.447566008966 0.576228365051 0.303366456799} H20 35 1 1 {} {0.374153160905 0.611852821584 0.291612976358} H21 36 1 6 {} {0.662302355663 0.647893975286 0.465390936011} C4 37 1 14 {} {0.617097324747 0.578839267457 0.443573615326} Si6 38 1 14 {} {0.639763507414 0.731112471157 0.418414170377} Si7 39 1 8 {} {0.579743896415 0.596557963859 0.34974117297} O5 40 1 8 {} {0.634064028643 0.504924520011 0.44251749103} O6 41 1 6 {} {0.58096314905 0.576929529385 0.546880967939} C5 42 1 6 {} {0.585246494744 0.773986877346 0.46271797591} C6 43 1 8 {} {0.62845675044 0.721121655085 0.30869947307} O7 44 1 8 {} {0.678447007243 0.792400151342 0.424985475467} O8 45 1 14 {} {0.627774879696 0.420282868104 0.411447470928} Si8 46 1 7 {} {0.578985041881 0.377989711588 0.434405725845} N4 47 1 14 {} {0.557472247676 0.32546217037 0.343464175221} Si9 48 1 14 {} {0.555181628134 0.367355185209 0.540699401478} Si10 49 1 7 {} {0.591324127329 0.384084656289 0.624324600255} N5 50 1 7 {} {0.591621032093 0.260662403189 0.303977036361} N6 51 1 1 {} {0.654260108266 0.653156249572 0.536343039209} H22 52 1 1 {} {0.698530694005 0.655204518441 0.472551137124} H23 53 1 1 {} {0.590331961021 0.621559422296 0.306827123921} H24 54 1 1 {} {0.590632679927 0.614718917081 0.605504367179} H25 55 1 1 {} {0.583772071872 0.527966128969 0.586014726073} H26 56 1 1 {} {0.543329834546 0.585278563863 0.514806879668} H27 57 1 1 {} {0.582107419789 0.825233612158 0.433526881778} H28 58 1 1 {} {0.584345706202 0.782959091949 0.535792626648} H29 59 1 1 {} {0.552093402434 0.751736183996 0.447206993789} H30 60 1 1 {} {0.631567991572 0.755695392286 0.264454762847} H31 61 1 1 {} {0.679468743891 0.815022427606 0.481097940307} H32 62 1 1 {} {0.633659538363 0.415636005037 0.316737011098} H33 63 1 1 {} {0.664017548466 0.39553502153 0.466308979294} H34 64 1 1 {} {0.515928248031 0.290733687537 0.375946569445} H35 65 1 1 {} {0.548934866052 0.366353491967 0.264892443038} H36 66 1 1 {} {0.518922884048 0.418676174441 0.561234107588} H37 67 1 1 {} {0.535974071753 0.298668013013 0.549779467135} H38 68 1 1 {} {0.594768578109 0.435340425077 0.643548675918} H39 69 1 1 {} {0.619843889967 0.358781321186 0.642535423837} H40 70 1 1 {} {0.616356809327 0.271749448372 0.259061916851} H41 71 1 1 {} {0.600996521514 0.221172773424 0.342966152432} 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