#MD System 2.0 @Title neb0_image07 @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 {} {0.219377595443 0.526222233936 0.33287099715} C1 1 1 14 {} {0.273089791133 0.489054342709 0.291019504703} Si1 2 1 14 {} {0.172761114053 0.534684924601 0.252064710163} Si2 3 1 8 {} {0.285754626461 0.521100236665 0.192641085827} O1 4 1 8 {} {0.31251660058 0.5105920933 0.362404615141} O2 5 1 6 {} {0.271464177464 0.395825871443 0.284590887516} C2 6 1 6 {} {0.1412925627 0.454934274197 0.234359922713} C3 7 1 8 {} {0.197194973966 0.561178441186 0.158107037207} O3 8 1 8 {} {0.137343312148 0.595284987724 0.279870195509} O4 9 1 14 {} {0.364186673954 0.538462396276 0.366581066015} Si3 10 1 7 {} {0.39714098654 0.473264439957 0.407598041492} N1 11 1 14 {} {0.448541745581 0.470727592675 0.355774005556} Si4 12 1 14 {} {0.378484806169 0.420287544749 0.492889818461} Si5 13 1 7 {} {0.349679838092 0.458603591558 0.578349275182} N2 14 1 7 {} {0.457621466135 0.558847328394 0.343805010733} N3 15 1 1 {} {0.207889154878 0.497557799173 0.391368708365} H1 16 1 1 {} {0.227516151698 0.576956908935 0.356979380258} H2 17 1 1 {} {0.260524820834 0.542314453704 0.162270927663} H3 18 1 1 {} {0.266245803065 0.372614153373 0.350217514265} H4 19 1 1 {} {0.303160438527 0.376682484829 0.25784869493} H5 20 1 1 {} {0.244690099264 0.378900648734 0.239769736044} H6 21 1 1 {} {0.114757092845 0.461202366259 0.18431453386} H7 22 1 1 {} {0.125702609746 0.437367533197 0.296640975778} H8 23 1 1 {} {0.16360208592 0.414934183509 0.210902584412} H9 24 1 1 {} {0.178529954748 0.583741026319 0.114617602883} H10 25 1 1 {} {0.108943344601 0.582701718755 0.305659661897} H11 26 1 1 {} {0.380505234098 0.558021246977 0.277052064006} H12 27 1 1 {} {0.364033018438 0.597035419089 0.428609577811} H13 28 1 1 {} {0.477911666727 0.427798261879 0.415731312602} H14 29 1 1 {} {0.454111486316 0.446844516323 0.263055586936} H15 30 1 1 {} {0.347197662481 0.370660161753 0.452380965909} H16 31 1 1 {} {0.418764246838 0.386857157818 0.530836820468} H17 32 1 1 {} {0.318283037219 0.475612758493 0.566433089263} H18 33 1 1 {} {0.365761964963 0.489596292558 0.621436894101} H19 34 1 1 {} {0.492438034471 0.564489042308 0.321297994609} H20 35 1 1 {} {0.455723880288 0.580335226575 0.406126062032} H21 36 1 6 {} {0.645868359766 0.641638288711 0.479567206085} C4 37 1 14 {} {0.607060418313 0.578241480257 0.437949164708} Si6 38 1 14 {} {0.639214101059 0.72736773903 0.434082768169} Si7 39 1 8 {} {0.596312326647 0.585705922583 0.329095959439} O5 40 1 8 {} {0.623381382229 0.5010471226 0.45572130115} O6 41 1 6 {} {0.555166504236 0.585083527126 0.501791381286} C5 42 1 6 {} {0.590902791756 0.776659345095 0.479444412618} C6 43 1 8 {} {0.63412376456 0.71559266772 0.323910095517} O7 44 1 8 {} {0.686347677959 0.769617421114 0.449350714214} O8 45 1 14 {} {0.631994490325 0.422721339327 0.428665690217} Si8 46 1 7 {} {0.586209092418 0.370896138496 0.445717527985} N4 47 1 14 {} {0.566879301327 0.321709606759 0.357937810183} Si9 48 1 14 {} {0.561727780371 0.367654638589 0.553421832784} Si10 49 1 7 {} {0.597345293588 0.386371911573 0.638555594703} N5 50 1 7 {} {0.601374372867 0.25857065816 0.31932620106} N6 51 1 1 {} {0.63801144018 0.641386610075 0.551582728351} H22 52 1 1 {} {0.680177696011 0.624291760287 0.468454726342} H23 53 1 1 {} {0.60979859227 0.62539266195 0.301204780589} H24 54 1 1 {} {0.553675100944 0.57977007702 0.574978694242} H25 55 1 1 {} {0.543512277263 0.536013337344 0.473015863338} H26 56 1 1 {} {0.534298363364 0.627281047477 0.477966026138} H27 57 1 1 {} {0.590119672351 0.827118716696 0.449884296886} H28 58 1 1 {} {0.592878650385 0.782480352004 0.552387987547} H29 59 1 1 {} {0.558693886341 0.752875813399 0.464288647} H30 60 1 1 {} {0.641973742238 0.752839322401 0.285605337917} H31 61 1 1 {} {0.68642517381 0.803685523383 0.495134443221} H32 62 1 1 {} {0.643067377522 0.418176814631 0.331071972243} H33 63 1 1 {} {0.671150368158 0.40270324598 0.483217433487} H34 64 1 1 {} {0.525031020438 0.289871481056 0.39074663247} H35 65 1 1 {} {0.558543889549 0.364871133347 0.2783270904} H36 66 1 1 {} {0.524713715431 0.41707107019 0.561711681001} H37 67 1 1 {} {0.544401828608 0.297942526092 0.564631320402} H38 68 1 1 {} {0.603175069659 0.434937563382 0.654973638434} H39 69 1 1 {} {0.624243629057 0.357312398473 0.653328260172} H40 70 1 1 {} {0.626130989076 0.270117766338 0.275728641914} H41 71 1 1 {} {0.611005643013 0.220992241789 0.36055335054} 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