#MD System 2.0 @Title neb0_image01 @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 {} {0.358157412038 0.54664327326 0.413970800429} C1 1 1 14 {} {0.3348178821 0.520123512213 0.524787182489} Si1 2 1 14 {} {0.419836448708 0.557464285044 0.409685423767} Si2 3 1 8 {} {0.347940464815 0.576834102642 0.600681278707} O1 4 1 8 {} {0.279696799664 0.51853360905 0.517645133085} O2 5 1 6 {} {0.353684073064 0.434822140804 0.559447745336} C2 6 1 6 {} {0.451025596829 0.477218052758 0.39506275864} C3 7 1 8 {} {0.432768894711 0.592191778407 0.508685587166} O3 8 1 8 {} {0.432977708247 0.608888871636 0.326739461146} O4 9 1 14 {} {0.229403375895 0.522834016856 0.558920079739} Si3 10 1 7 {} {0.209745569191 0.4447040284 0.593117785502} N1 11 1 14 {} {0.187308499192 0.436442166358 0.700608400842} Si4 12 1 14 {} {0.210301106354 0.377013787954 0.51806743799} Si5 13 1 7 {} {0.204229463465 0.398200927179 0.407625827906} N2 14 1 7 {} {0.136884203435 0.475519126226 0.720744685053} N3 15 1 1 {} {0.348119108652 0.510858392847 0.361727414589} H1 16 1 1 {} {0.34251276741 0.594970117428 0.396999568034} H2 17 1 1 {} {0.377854093728 0.595161512746 0.591190851261} H3 18 1 1 {} {0.344995870377 0.396217607318 0.510076319928} H4 19 1 1 {} {0.337966819045 0.420952890164 0.623158965136} H5 20 1 1 {} {0.390052714383 0.433578406877 0.569433849004} H6 21 1 1 {} {0.487129914261 0.486711626294 0.392020633156} H7 22 1 1 {} {0.441455389541 0.452892142255 0.332086631382} H8 23 1 1 {} {0.444849870133 0.441685699655 0.449599329859} H9 24 1 1 {} {0.463457627576 0.607158503357 0.514898201067} H10 25 1 1 {} {0.464959316296 0.61202182811 0.315378631684} H11 26 1 1 {} {0.227725298805 0.567028282066 0.639198452349} H12 27 1 1 {} {0.200523307463 0.550948371037 0.487283967796} H13 28 1 1 {} {0.180617140145 0.363363264705 0.714868001146} H14 29 1 1 {} {0.218853971288 0.465601220911 0.766633413051} H15 30 1 1 {} {0.253566393621 0.340455970366 0.523892629029} H16 31 1 1 {} {0.172705311802 0.332412272191 0.544705740805} H17 32 1 1 {} {0.231226233293 0.412851192925 0.371604390526} H18 33 1 1 {} {0.176238960793 0.421612965435 0.385502793838} H19 34 1 1 {} {0.13609192132 0.525106554601 0.735775416472} H20 35 1 1 {} {0.108847270841 0.461699857547 0.687309228257} H21 36 1 6 {} {0.632687767586 0.645994660658 0.348973995475} C4 37 1 14 {} {0.589554413533 0.583462201577 0.38633482793} Si6 38 1 14 {} {0.627031690006 0.734466363025 0.385500852704} Si7 39 1 8 {} {0.539243859284 0.61892084201 0.380666108359} O5 40 1 8 {} {0.590385769426 0.518989233572 0.319340825319} O6 41 1 6 {} {0.600619271603 0.551588814253 0.501289532807} C5 42 1 6 {} {0.645220195892 0.751510105896 0.502655726504} C6 43 1 8 {} {0.572205613971 0.749303814247 0.373966701293} O7 44 1 8 {} {0.654819434554 0.783825841469 0.315592806824} O8 45 1 14 {} {0.584033351436 0.458609340244 0.24624839804} Si8 46 1 7 {} {0.596435657169 0.380502281455 0.289198254547} N4 47 1 14 {} {0.553001255316 0.324342250784 0.312893474222} Si9 48 1 14 {} {0.651162603251 0.355231427662 0.314504294753} Si10 49 1 7 {} {0.692128137933 0.401389569649 0.263458818599} N5 50 1 7 {} {0.528967034973 0.281112996847 0.225841979422} N6 51 1 1 {} {0.666079719217 0.627613774028 0.367689070087} H22 52 1 1 {} {0.631913089184 0.646790586266 0.275336633591} H23 53 1 1 {} {0.541355936227 0.66795678632 0.375913703681} H24 54 1 1 {} {0.632728037248 0.525003965289 0.504074318391} H25 55 1 1 {} {0.574504396951 0.516058589553 0.52160815721} H26 56 1 1 {} {0.601506147964 0.592140567799 0.550843687853} H27 57 1 1 {} {0.639962101353 0.80429193361 0.520830442854} H28 58 1 1 {} {0.680816667059 0.740099413668 0.512022895903} H29 59 1 1 {} {0.626224685641 0.720949588583 0.550393220204} H30 60 1 1 {} {0.561801709469 0.795169201366 0.371048859811} H31 61 1 1 {} {0.672740823869 0.819509728488 0.340648878668} H32 62 1 1 {} {0.536332294341 0.456646419629 0.217566249582} H33 63 1 1 {} {0.613185187842 0.474701116051 0.168706038679} H34 64 1 1 {} {0.572829400681 0.273428487059 0.373952163949} H35 65 1 1 {} {0.51609743599 0.362018661096 0.356092335004} H36 66 1 1 {} {0.660329481108 0.361309855507 0.412101060121} H37 67 1 1 {} {0.654877512878 0.283780396309 0.286474445641} H38 68 1 1 {} {0.705373615221 0.442203045352 0.293713597758} H39 69 1 1 {} {0.695082141178 0.404346979569 0.196128422888} H40 70 1 1 {} {0.506747676287 0.304351873574 0.184907936973} H41 71 1 1 {} {0.546411403345 0.245593176914 0.191898940149} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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