#MD System 2.0 @Title neb0_image04 @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 {} {0.211263130777 0.527554907148 0.318675164006} C1 1 1 14 {} {0.264817190983 0.489843555021 0.277143423075} Si1 2 1 14 {} {0.164395388401 0.5361074575 0.238351996295} Si2 3 1 8 {} {0.276971174246 0.520310162532 0.177633872613} O1 4 1 8 {} {0.304276620168 0.512104834932 0.348021281335} O2 5 1 6 {} {0.262871488252 0.396664209149 0.271560520521} C2 6 1 6 {} {0.132810168528 0.456419911527 0.220833924886} C3 7 1 8 {} {0.188548341473 0.562492267279 0.1441813738} O3 8 1 8 {} {0.129069334839 0.59659354195 0.267283655566} O4 9 1 14 {} {0.355845753268 0.540378540579 0.353584091006} Si3 10 1 7 {} {0.390002390436 0.47623090247 0.394035558414} N1 11 1 14 {} {0.443053814249 0.474201158823 0.348122272189} Si4 12 1 14 {} {0.370462336752 0.422278724266 0.477994075432} Si5 13 1 7 {} {0.3413418722 0.460032000044 0.56348607863} N2 14 1 7 {} {0.460729638942 0.556243969192 0.346143121662} N3 15 1 1 {} {0.19965899858 0.499478312971 0.377584012954} H1 16 1 1 {} {0.219423388921 0.578371989956 0.342395205548} H2 17 1 1 {} {0.25204040096 0.543075960785 0.148411301579} H3 18 1 1 {} {0.257394138625 0.373372490384 0.337079814906} H4 19 1 1 {} {0.294486554107 0.377354789978 0.244717762271} H5 20 1 1 {} {0.236142756794 0.380063275314 0.226372043394} H6 21 1 1 {} {0.106354100324 0.463039161124 0.170824240685} H7 22 1 1 {} {0.117124766584 0.439300246538 0.28319572533} H8 23 1 1 {} {0.154807942225 0.41601805374 0.197524954115} H9 24 1 1 {} {0.169798207038 0.585700173193 0.101156102854} H10 25 1 1 {} {0.100618903514 0.583067793469 0.292634665116} H11 26 1 1 {} {0.372317521076 0.560547412207 0.264230456794} H12 27 1 1 {} {0.355080023465 0.598547199805 0.415726742568} H13 28 1 1 {} {0.469718764149 0.426383611319 0.403212270999} H14 29 1 1 {} {0.445003236209 0.450805185184 0.253491146162} H15 30 1 1 {} {0.339135167232 0.372608211594 0.438638302284} H16 31 1 1 {} {0.410211510738 0.388586182019 0.51700379783} H17 32 1 1 {} {0.309757827721 0.476303457359 0.55232148466} H18 33 1 1 {} {0.356952079685 0.491067464963 0.607426600053} H19 34 1 1 {} {0.488569415787 0.567014247587 0.310865260923} H20 35 1 1 {} {0.461680245291 0.580649296786 0.405830611342} H21 36 1 6 {} {0.652331567731 0.639629105201 0.493266796044} C4 37 1 14 {} {0.612361137818 0.575380545507 0.449619853656} Si6 38 1 14 {} {0.64772911445 0.72603064511 0.447562809425} Si7 39 1 8 {} {0.60449336406 0.58397485568 0.340829083128} O5 40 1 8 {} {0.632323174596 0.50023025746 0.470465519821} O6 41 1 6 {} {0.557049283898 0.580311554796 0.505260579336} C5 42 1 6 {} {0.599355062048 0.775529733518 0.491903315249} C6 43 1 8 {} {0.643960400819 0.713978657577 0.337205919151} O7 44 1 8 {} {0.694545303755 0.769355541327 0.462904984517} O8 45 1 14 {} {0.640657105717 0.421864282121 0.442512053526} Si8 46 1 7 {} {0.59472316513 0.370592614718 0.459769582214} N4 47 1 14 {} {0.574988676154 0.321263833669 0.371110419375} Si9 48 1 14 {} {0.570166597936 0.36583974319 0.566578817599} Si10 49 1 7 {} {0.605275694391 0.385069259083 0.653493952622} N5 50 1 7 {} {0.609711171596 0.258330840131 0.333218630983} N6 51 1 1 {} {0.647390416241 0.641047024834 0.566114808997} H22 52 1 1 {} {0.686960181059 0.623079637832 0.481566552698} H23 53 1 1 {} {0.618244050584 0.62384245136 0.315025085254} H24 54 1 1 {} {0.55849549656 0.575300924399 0.578134409242} H25 55 1 1 {} {0.537447910446 0.538573267003 0.47806779217} H26 56 1 1 {} {0.539990651891 0.627174337999 0.488838214483} H27 57 1 1 {} {0.59850170707 0.82609996492 0.462844109963} H28 58 1 1 {} {0.60160601814 0.781297024355 0.564767243453} H29 59 1 1 {} {0.567067605842 0.751769018983 0.477380427631} H30 60 1 1 {} {0.650748217097 0.751466744802 0.298624020713} H31 61 1 1 {} {0.694746075552 0.80264261704 0.509237011875} H32 62 1 1 {} {0.651804500358 0.416782334471 0.345506468927} H33 63 1 1 {} {0.679565947792 0.4005040409 0.497393584213} H34 64 1 1 {} {0.533260584264 0.289198247954 0.403990448591} H35 65 1 1 {} {0.566845811871 0.363994878319 0.291363475423} H36 66 1 1 {} {0.532445999079 0.414160759848 0.573871626285} H37 67 1 1 {} {0.553503395314 0.295996150011 0.57776475275} H38 68 1 1 {} {0.611559496926 0.433882778257 0.66767358021} H39 69 1 1 {} {0.63232560115 0.356346000886 0.666796023114} H40 70 1 1 {} {0.634087492706 0.26864761198 0.288304574267} H41 71 1 1 {} {0.61867521897 0.219304934713 0.373148688407} 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