#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 {} {0.352986872262 0.550226406216 0.422168578991} C1 1 1 14 {} {0.33394533164 0.517215431726 0.533263668903} Si1 2 1 14 {} {0.408176069588 0.592516601867 0.417938940423} Si2 3 1 8 {} {0.337201150066 0.577486913711 0.608518897824} O1 4 1 8 {} {0.281005979072 0.49532839348 0.525225400939} O2 5 1 6 {} {0.365560529734 0.441226026387 0.568673444278} C2 6 1 6 {} {0.457222029256 0.534934680783 0.411659149466} C3 7 1 8 {} {0.409836300484 0.636712109626 0.51317672728} O3 8 1 8 {} {0.408492215779 0.643514616584 0.330264438174} O4 9 1 14 {} {0.22870650605 0.500855298695 0.555867802562} Si3 10 1 7 {} {0.209048427439 0.422145229639 0.587316534883} N1 11 1 14 {} {0.173003962502 0.417865790147 0.679122322103} Si4 12 1 14 {} {0.224602243849 0.352153497557 0.523324646166} Si5 13 1 7 {} {0.225814143599 0.36468405501 0.409771794778} N2 14 1 7 {} {0.125498477262 0.466200368422 0.672021026984} N3 15 1 1 {} {0.352560881834 0.509775496457 0.372155586312} H1 16 1 1 {} {0.327994514959 0.587296519894 0.400182909871} H2 17 1 1 {} {0.360967219494 0.609652222206 0.595413989791} H3 18 1 1 {} {0.362228184734 0.400230334563 0.520175390241} H4 19 1 1 {} {0.352908807337 0.423154586522 0.633183116311} H5 20 1 1 {} {0.401277560007 0.452198857579 0.576915869252} H6 21 1 1 {} {0.489040552862 0.562496177872 0.410994709382} H7 22 1 1 {} {0.455797305943 0.50427254969 0.350741781803} H8 23 1 1 {} {0.458105558586 0.500815591341 0.469140587784} H9 24 1 1 {} {0.43502689897 0.666159298661 0.523375670965} H10 25 1 1 {} {0.436846470284 0.652100708332 0.301395542348} H11 26 1 1 {} {0.222923453325 0.54650197815 0.633885769231} H12 27 1 1 {} {0.203184719898 0.527422997743 0.478152268218} H13 28 1 1 {} {0.160134388548 0.346149252157 0.687337522354} H14 29 1 1 {} {0.196060694515 0.442186860399 0.76100787216} H15 30 1 1 {} {0.270529658222 0.330414978393 0.548189644221} H16 31 1 1 {} {0.191480996462 0.298716158244 0.543645356978} H17 32 1 1 {} {0.252290230031 0.388520161667 0.381759397647} H18 33 1 1 {} {0.197348290656 0.375246012155 0.375708804783} H19 34 1 1 {} {0.125316620249 0.513809285668 0.695723697055} H20 35 1 1 {} {0.102820250874 0.460205683404 0.622289789127} H21 36 1 6 {} {0.589010537504 0.332403189767 0.309701913412} C4 37 1 14 {} {0.58426164416 0.365890226792 0.426739667933} Si6 38 1 14 {} {0.573021615804 0.24334039794 0.29170022174} Si7 39 1 8 {} {0.612976030919 0.31688235825 0.494718129928} O5 40 1 8 {} {0.606845071778 0.440982986495 0.431698117035} O6 41 1 6 {} {0.525017716546 0.374491688269 0.463357624232} C5 42 1 6 {} {0.512133646081 0.232710225039 0.268168416971} C6 43 1 8 {} {0.58815946062 0.204719951424 0.386087357259} O7 44 1 8 {} {0.602695790897 0.206233412418 0.211873411872} O8 45 1 14 {} {0.650610444383 0.485804705913 0.460358156274} Si8 46 1 7 {} {0.63506440393 0.566866736023 0.487363278846} N4 47 1 14 {} {0.641552104876 0.594569313109 0.597738018844} Si9 48 1 14 {} {0.611132501124 0.620538678978 0.408445191555} Si10 49 1 7 {} {0.622282593708 0.601147968498 0.298868960674} N5 50 1 7 {} {0.694386057053 0.614439375033 0.634363245717} N6 51 1 1 {} {0.569598029673 0.364212148541 0.2637858717} H22 52 1 1 {} {0.624339909497 0.337571981514 0.29012196743} H23 53 1 1 {} {0.611331696521 0.269755915286 0.477222905166} H24 54 1 1 {} {0.505991729383 0.407446011199 0.418661227352} H25 55 1 1 {} {0.523743238397 0.396079031941 0.530808132397} H26 56 1 1 {} {0.50820361409 0.32561756069 0.465699223371} H27 57 1 1 {} {0.502880872068 0.179572237368 0.263578790631} H28 58 1 1 {} {0.502840745458 0.256854046654 0.204818324663} H29 59 1 1 {} {0.491745487352 0.255565310256 0.320998443248} H30 60 1 1 {} {0.591092499505 0.15641459356 0.383747109348} H31 61 1 1 {} {0.58955724754 0.20235308871 0.153082603619} H32 62 1 1 {} {0.672642102569 0.457071618811 0.541032200787} H33 63 1 1 {} {0.682301178364 0.485434250669 0.383674154399} H34 64 1 1 {} {0.614038293193 0.656633633401 0.604227560979} H35 65 1 1 {} {0.625179031627 0.541505368324 0.659313984056} H36 66 1 1 {} {0.561395045464 0.619882113325 0.416034914105} H37 67 1 1 {} {0.628164768383 0.689368596343 0.426302705073} H38 68 1 1 {} {0.605778460238 0.56289418692 0.268615039564} H39 69 1 1 {} {0.653894271707 0.604850925689 0.274509601292} H40 70 1 1 {} {0.71572043667 0.577204654379 0.651928609969} H41 71 1 1 {} {0.711300199918 0.653426738957 0.607052519076} 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