#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 {} {0.338121514491 0.50711681736 0.536147327293} C1 1 1 14 {} {0.369399839172 0.461170848575 0.492915144352} Si1 2 1 14 {} {0.306344565079 0.511223352144 0.466719332504} Si2 3 1 8 {} {0.40806309825 0.442988995608 0.379457597195} O1 4 1 8 {} {0.329577070321 0.596898286297 0.672781693315} O2 5 1 6 {} {0.410717516212 0.366901901636 0.519290568882} C2 6 1 6 {} {0.280163278062 0.429060345407 0.450529175753} C3 7 1 8 {} {0.33657216267 0.579147267909 0.402210521852} O3 8 1 8 {} {0.270550062929 0.548607773644 0.527606363401} O4 9 1 14 {} {0.398290456808 0.493899326236 0.50997524505} Si3 10 1 7 {} {0.279170294462 0.221246996388 0.446930018886} N1 11 1 14 {} {0.00393402943454 -0.00571218818083 -0.589045778201} Si4 12 1 14 {} {0.436305804283 0.329685128215 0.772821116439} Si5 13 1 7 {} {0.467074107344 0.398212541636 0.860515781978} N2 14 1 7 {} {-1.01042216085 0.969314419447 -2.08160988338} N3 15 1 1 {} {0.347199884253 0.47347283421 0.603014291194} H1 16 1 1 {} {0.375303416684 0.549779780731 0.559428838} H2 17 1 1 {} {0.397026146471 0.520454138632 0.360130302069} H3 18 1 1 {} {0.402982023146 0.336521840971 0.576163003328} H4 19 1 1 {} {0.441477970643 0.340828249368 0.498415477647} H5 20 1 1 {} {0.385399082642 0.356568704858 0.473617355499} H6 21 1 1 {} {0.253216336902 0.442819982465 0.40363627545} H7 22 1 1 {} {0.263307699442 0.424165205899 0.51968709529} H8 23 1 1 {} {0.297403713018 0.379854154342 0.436025246448} H9 24 1 1 {} {0.303865902419 0.572528327592 0.340448349891} H10 25 1 1 {} {0.240830750086 0.522690290036 0.56036320558} H11 26 1 1 {} {0.368082954205 0.488864402467 0.413646560674} H12 27 1 1 {} {0.52951879725 0.550066876734 0.641377476598} H13 28 1 1 {} {0.547922969805 1.0474777589 0.0558931897135} H14 29 1 1 {} {0.382996138669 -0.491690220628 -0.241705677414} H15 30 1 1 {} {0.419353557521 0.181044676525 0.814482246557} H16 31 1 1 {} {0.547010764375 0.34951580986 0.738687781262} H17 32 1 1 {} {0.442845234035 0.460975400462 0.835082538363} H18 33 1 1 {} {0.483301343999 0.47455496926 0.869691781477} H19 34 1 1 {} {-0.252102204098 0.437131042679 -0.219787416454} H20 35 1 1 {} {-2.00305323172 1.03443487816 -2.22290255485} H21 36 1 6 {} {1.04287173187 0.805121739342 0.270281320464} C4 37 1 14 {} {1.11026497257 0.804639762049 0.712259189689} Si6 38 1 14 {} {0.619577921085 0.82537731653 0.158988491039} Si7 39 1 8 {} {0.286933193513 0.726235917803 0.896072708216} O5 40 1 8 {} {0.730294248617 0.543820899537 0.20246748996} O6 41 1 6 {} {1.40627792426 0.840369354902 2.08934650109} C5 42 1 6 {} {0.473780435455 0.762276122774 0.2459816113} C6 43 1 8 {} {0.528941199079 0.747228973165 0.085668372696} O7 44 1 8 {} {0.600428434908 1.03198170094 0.100222076413} O8 45 1 14 {} {0.541053453416 0.404697694923 0.226796687936} Si8 46 1 7 {} {0.455978643203 0.404969262518 0.226170148208} N4 47 1 14 {} {0.445992422413 0.335447838527 0.164217771713} Si9 48 1 14 {} {0.471890341976 0.356290249636 0.430050481993} Si10 49 1 7 {} {0.516243390094 0.384602143239 0.392788025644} N5 50 1 7 {} {0.459374778543 0.272042457073 0.0663359431461} N6 51 1 1 {} {0.704127782789 0.7050039523 0.215039799038} H22 52 1 1 {} {1.11941429605 1.03278728717 0.445835402407} H23 53 1 1 {} {0.317442354956 0.55453478504 0.211387289242} H24 54 1 1 {} {1.29931254602 1.32192203563 2.36814305891} H25 55 1 1 {} {2.44436275763 -0.183515581965 2.6353788022} H26 56 1 1 {} {0.846446192696 0.0552931803889 1.03625525976} H27 57 1 1 {} {0.461446815359 0.828146754998 0.208133524044} H28 58 1 1 {} {0.462247399593 0.802322431541 0.32087545811} H29 59 1 1 {} {0.425618476828 0.772570174379 0.230561714847} H30 60 1 1 {} {0.493014949215 0.783209710535 -0.0212135684692} H31 61 1 1 {} {0.567032494076 0.948268566343 0.321603416374} H32 62 1 1 {} {0.507729077581 0.405690558458 0.0671763925505} H33 63 1 1 {} {0.574952338447 0.363755111387 0.278851577949} H34 64 1 1 {} {0.392046935628 0.300571351039 0.172830179642} H35 65 1 1 {} {0.419090822261 0.395101965943 0.0859847475081} H36 66 1 1 {} {0.463894336801 0.439458205782 0.678729657393} H37 67 1 1 {} {0.41053105216 0.290707423043 0.354747106437} H38 68 1 1 {} {0.469576726119 0.425347855663 0.4677858369} H39 69 1 1 {} {0.559845313215 0.368944573563 0.520903174255} H40 70 1 1 {} {0.480337688897 0.289344961772 0.0311431392201} H41 71 1 1 {} {0.461553571482 0.220920320803 0.0893675008679} 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