#MD System 2.0 @Title neb0_image08 @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 {} {0.223845884073 0.52525887009 0.340669270244} C1 1 1 14 {} {0.277378830767 0.487974294696 0.298950639093} Si1 2 1 14 {} {0.177657840906 0.533822242814 0.260040093625} Si2 3 1 8 {} {0.290493727104 0.519377884999 0.200286933473} O1 4 1 8 {} {0.31472122672 0.511641026991 0.372816158529} O2 5 1 6 {} {0.276368710343 0.394649715724 0.292756931415} C2 6 1 6 {} {0.14626423156 0.454046001748 0.242206375943} C3 7 1 8 {} {0.202272843357 0.560827693542 0.16651006926} O3 8 1 8 {} {0.142224834386 0.59435145751 0.288331406159} O4 9 1 14 {} {0.366460392673 0.536015163928 0.373385656292} Si3 10 1 7 {} {0.39839889599 0.468420326902 0.409885057231} N1 11 1 14 {} {0.446866465314 0.467501974264 0.348861502963} Si4 12 1 14 {} {0.382417114409 0.418315626984 0.499502677904} Si5 13 1 7 {} {0.354450124704 0.457436213128 0.586510634305} N2 14 1 7 {} {0.447420607631 0.557089893122 0.320774718728} N3 15 1 1 {} {0.212822752795 0.496668453257 0.399493426631} H1 16 1 1 {} {0.232666638299 0.575755021623 0.364663104835} H2 17 1 1 {} {0.265450045364 0.541408132016 0.169966625496} H3 18 1 1 {} {0.271087324458 0.37147682883 0.358426106014} H4 19 1 1 {} {0.308085074335 0.375533118506 0.266024755436} H5 20 1 1 {} {0.249632094497 0.377836401789 0.247825635283} H6 21 1 1 {} {0.119738495287 0.460468969712 0.192300555833} H7 22 1 1 {} {0.130681210754 0.436803907541 0.304552768555} H8 23 1 1 {} {0.168392758651 0.413810777817 0.218897038751} H9 24 1 1 {} {0.183398076128 0.582905796049 0.122837960199} H10 25 1 1 {} {0.113867284922 0.581159176094 0.314024698236} H11 26 1 1 {} {0.381420241638 0.556312363614 0.282583602806} H12 27 1 1 {} {0.36944664731 0.595184067359 0.436238067949} H13 28 1 1 {} {0.481769337529 0.438822964121 0.411368324272} H14 29 1 1 {} {0.453870017918 0.430334042623 0.262019515441} H15 30 1 1 {} {0.350999752662 0.366905047569 0.464218308183} H16 31 1 1 {} {0.423120681439 0.386268461393 0.538556116179} H17 32 1 1 {} {0.323321256838 0.474910758993 0.575510393736} H18 33 1 1 {} {0.37028978458 0.488488971058 0.629474367229} H19 34 1 1 {} {0.48261555349 0.566316288095 0.31871987151} H20 35 1 1 {} {0.430977450893 0.588113888714 0.375241314139} H21 36 1 6 {} {0.649298433322 0.643505984634 0.472272313428} C4 37 1 14 {} {0.608310715166 0.580113877003 0.436851855962} Si6 38 1 14 {} {0.637039554589 0.729007444356 0.425846049966} Si7 39 1 8 {} {0.58947213411 0.588885471266 0.333873598792} O5 40 1 8 {} {0.624084312463 0.50258746612 0.448212077582} O6 41 1 6 {} {0.561186611928 0.582764926168 0.515494784871} C5 42 1 6 {} {0.586725648303 0.776647024692 0.470703280397} C6 43 1 8 {} {0.630714650478 0.717165050809 0.31580986479} O7 44 1 8 {} {0.682678026772 0.776416855887 0.43876154364} O8 45 1 14 {} {0.628229897797 0.422929404422 0.420085870896} Si8 46 1 7 {} {0.58165502156 0.372936007376 0.439163468656} N4 47 1 14 {} {0.561650636716 0.322706519312 0.349734979995} Si9 48 1 14 {} {0.557218692995 0.367647783092 0.545560244426} Si10 49 1 7 {} {0.593162370948 0.386551056496 0.631184907893} N5 50 1 7 {} {0.596228150209 0.25967523736 0.311424044962} N6 51 1 1 {} {0.639276585281 0.644532699708 0.543067199329} H22 52 1 1 {} {0.685137809556 0.633493924524 0.465961687928} H23 53 1 1 {} {0.601802740233 0.624511662398 0.297465132283} H24 54 1 1 {} {0.563462493346 0.592741277036 0.585648831816} H25 55 1 1 {} {0.554549051414 0.530203141693 0.500620692317} H26 56 1 1 {} {0.5345108592 0.617336693291 0.483694245569} H27 57 1 1 {} {0.585403138381 0.827373387527 0.441365040262} H28 58 1 1 {} {0.588177707882 0.783183110305 0.543776884112} H29 59 1 1 {} {0.554246789197 0.753190708011 0.455528112971} H30 60 1 1 {} {0.636757919837 0.754076614476 0.275726903963} H31 61 1 1 {} {0.682143133839 0.807471325104 0.48815546936} H32 62 1 1 {} {0.638140191109 0.417734420868 0.322884330249} H33 63 1 1 {} {0.666986893908 0.401075850067 0.475243123502} H34 64 1 1 {} {0.519909534499 0.290438710402 0.382929167497} H35 65 1 1 {} {0.553373754572 0.365729154329 0.270843740587} H36 66 1 1 {} {0.520685668843 0.417901250063 0.557790977048} H37 67 1 1 {} {0.539476031535 0.298497358588 0.556590870129} H38 68 1 1 {} {0.598256048143 0.43537348455 0.647581700153} H39 69 1 1 {} {0.620407124758 0.358129537057 0.646429521649} H40 70 1 1 {} {0.620764369597 0.271031643049 0.267391247295} H41 71 1 1 {} {0.605660957438 0.221525051296 0.351703628904} 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