#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 {} {0.207948184675 0.528194724448 0.313932394934} C1 1 1 14 {} {0.261830752526 0.490881029149 0.272350513625} Si1 2 1 14 {} {0.16129196887 0.536605048044 0.233101559106} Si2 3 1 8 {} {0.273980848698 0.52257498474 0.17343502221} O1 4 1 8 {} {0.30174494926 0.511539375544 0.342522984207} O2 5 1 6 {} {0.259566321019 0.39769195574 0.265857747053} C2 6 1 6 {} {0.129506550417 0.45711039702 0.21530865221} C3 7 1 8 {} {0.185666967202 0.562660353815 0.13882462185} O3 8 1 8 {} {0.126075632552 0.597649028887 0.26107204894} O4 9 1 14 {} {0.353328103927 0.540635193695 0.348783055355} Si3 10 1 7 {} {0.387858308983 0.477585746941 0.390292120568} N1 11 1 14 {} {0.441825982905 0.475438503638 0.347666542297} Si4 12 1 14 {} {0.367561256694 0.423331012939 0.472908056123} Si5 13 1 7 {} {0.338229766982 0.460705251735 0.5583782844} N2 14 1 7 {} {0.462714694275 0.555794260418 0.351918457957} N3 15 1 1 {} {0.196298347913 0.499796226693 0.372497625794} H1 16 1 1 {} {0.215883938286 0.579101310177 0.337757135249} H2 17 1 1 {} {0.24885792437 0.544297008835 0.143420094253} H3 18 1 1 {} {0.254318767755 0.374459669572 0.331500373199} H4 19 1 1 {} {0.29126817911 0.378548651815 0.239067590087} H5 20 1 1 {} {0.232817526404 0.380999395672 0.220933603449} H6 21 1 1 {} {0.103068370116 0.4635998754 0.165221361406} H7 22 1 1 {} {0.113836829609 0.439641324986 0.277505544381} H8 23 1 1 {} {0.151715015336 0.416991342202 0.191829653076} H9 24 1 1 {} {0.166994571714 0.585802120531 0.0959788688347} H10 25 1 1 {} {0.097568577245 0.585028825363 0.286405061694} H11 26 1 1 {} {0.369769053017 0.560914394095 0.259383026709} H12 27 1 1 {} {0.351973684027 0.599289614743 0.410109721743} H13 28 1 1 {} {0.466322419609 0.423816282344 0.400593576284} H14 29 1 1 {} {0.443963277589 0.457108057494 0.251281411093} H15 30 1 1 {} {0.33615235189 0.374037111666 0.432432697907} H16 31 1 1 {} {0.407103594784 0.388861737668 0.511942486297} H17 32 1 1 {} {0.306662841214 0.47732248761 0.54693791113} H18 33 1 1 {} {0.354098184896 0.491746356648 0.602050426394} H19 34 1 1 {} {0.487149075776 0.569665610951 0.308592083983} H20 35 1 1 {} {0.46763681768 0.578205359016 0.411952262639} H21 36 1 6 {} {0.653046489115 0.638074174435 0.498379230096} C4 37 1 14 {} {0.613484652511 0.57436959271 0.451411512371} Si6 38 1 14 {} {0.650329336487 0.724642108207 0.453361966081} Si7 39 1 8 {} {0.609579228528 0.582631849299 0.342040166855} O5 40 1 8 {} {0.633510382847 0.499473846055 0.475111002101} O6 41 1 6 {} {0.55701566154 0.579872919371 0.502639193442} C5 42 1 6 {} {0.602555209566 0.774911197313 0.498058100227} C6 43 1 8 {} {0.64676896123 0.713280814753 0.342916945156} O7 44 1 8 {} {0.697787073202 0.766373686035 0.469372671152} O8 45 1 14 {} {0.643313762238 0.421298679004 0.447212223766} Si8 46 1 7 {} {0.598003807796 0.369353087858 0.465813210709} N4 47 1 14 {} {0.578359910221 0.319693963589 0.376344051118} Si9 48 1 14 {} {0.572570178008 0.365097674086 0.570160557139} Si10 49 1 7 {} {0.609256006562 0.384927029842 0.658987305015} N5 50 1 7 {} {0.612594248523 0.257308352385 0.338502165566} N6 51 1 1 {} {0.648644309335 0.639378455448 0.571402213982} H22 52 1 1 {} {0.687172915363 0.619822307409 0.485910392833} H23 53 1 1 {} {0.622651336342 0.624105378101 0.319075161412} H24 54 1 1 {} {0.556872503266 0.571112446814 0.574902847771} H25 55 1 1 {} {0.535949862343 0.541595282953 0.471119844235} H26 56 1 1 {} {0.541766181474 0.62921523907 0.48986946647} H27 57 1 1 {} {0.601664141384 0.825364026325 0.468732419232} H28 58 1 1 {} {0.604621805971 0.780516417923 0.571032439675} H29 59 1 1 {} {0.570407815992 0.750789596069 0.483219253726} H30 60 1 1 {} {0.653939679136 0.750961310527 0.304711108842} H31 61 1 1 {} {0.697971955442 0.8012356241 0.514127303573} H32 62 1 1 {} {0.654675090626 0.416262400632 0.35063257734} H33 63 1 1 {} {0.682575375862 0.400961114864 0.502301976982} H34 64 1 1 {} {0.536436374132 0.288383930691 0.409860838401} H35 65 1 1 {} {0.570048347608 0.362970323153 0.297409809004} H36 66 1 1 {} {0.535632765254 0.414414479939 0.578887672672} H37 67 1 1 {} {0.556282127823 0.295729494508 0.583710246331} H38 68 1 1 {} {0.614544893271 0.432925389393 0.673331511158} H39 69 1 1 {} {0.635196278348 0.35563065332 0.671869112964} H40 70 1 1 {} {0.637500726165 0.268247947906 0.294185303443} H41 71 1 1 {} {0.622358902431 0.218742354649 0.379461692871} 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