#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 {} {0.202592320151 0.529427912678 0.305178327762} C1 1 1 14 {} {0.256311561618 0.491822635699 0.263584704737} Si1 2 1 14 {} {0.155916809037 0.53746496797 0.224369777756} Si2 3 1 8 {} {0.268629661627 0.523956804641 0.165099094442} O1 4 1 8 {} {0.296884733512 0.511580185156 0.333557483947} O2 5 1 6 {} {0.254353234862 0.398695672011 0.257086101398} C2 6 1 6 {} {0.124128147468 0.45804416451 0.206953530509} C3 7 1 8 {} {0.180226486517 0.56290835285 0.129796220427} O3 8 1 8 {} {0.120867769489 0.598320918449 0.253043645115} O4 9 1 14 {} {0.348076103508 0.541467300569 0.339749367051} Si3 10 1 7 {} {0.382971294781 0.47892827708 0.382004816447} N1 11 1 14 {} {0.437312905022 0.476704711844 0.341015214834} Si4 12 1 14 {} {0.362478928204 0.424246618454 0.464232536139} Si5 13 1 7 {} {0.332869663642 0.461531467026 0.54955559914} N2 14 1 7 {} {0.459462662674 0.556199930806 0.347644024608} N3 15 1 1 {} {0.190868508666 0.500802369383 0.363513700218} H1 16 1 1 {} {0.210663766393 0.580310593799 0.328883757142} H2 17 1 1 {} {0.243573179522 0.545601094276 0.134468467197} H3 18 1 1 {} {0.249151930593 0.375303177859 0.3225503938} H4 19 1 1 {} {0.286007277652 0.379308704578 0.230571566406} H5 20 1 1 {} {0.227537556373 0.381911956764 0.21242922083} H6 21 1 1 {} {0.0976707618009 0.464686450641 0.156832041347} H7 22 1 1 {} {0.108481285352 0.440702071422 0.269245138309} H8 23 1 1 {} {0.146335964033 0.417959353339 0.183439504843} H9 24 1 1 {} {0.161618630635 0.586799721719 0.0874378315225} H10 25 1 1 {} {0.0921599445691 0.585755910278 0.278149789048} H11 26 1 1 {} {0.364494964744 0.561731814554 0.250583564985} H12 27 1 1 {} {0.346660989918 0.599928818745 0.4006659997} H13 28 1 1 {} {0.460920992744 0.423868742337 0.392757446367} H14 29 1 1 {} {0.439138203797 0.459461508324 0.24439448112} H15 30 1 1 {} {0.33107963019 0.375272566752 0.423580486671} H16 31 1 1 {} {0.401940740483 0.389791189376 0.503208211691} H17 32 1 1 {} {0.301336013637 0.478036447331 0.538256575836} H18 33 1 1 {} {0.348604734407 0.492650860057 0.593262468595} H19 34 1 1 {} {0.482199557984 0.571463191012 0.301221162964} H20 35 1 1 {} {0.465531777823 0.578894164875 0.406686567771} H21 36 1 6 {} {0.657679729545 0.637232799861 0.506972964883} C4 37 1 14 {} {0.618246124057 0.573017396138 0.459754536807} Si6 38 1 14 {} {0.655347509492 0.723656174293 0.461684504094} Si7 39 1 8 {} {0.616210103316 0.580967032443 0.34990087967} O5 40 1 8 {} {0.638682044624 0.498600435082 0.484425914709} O6 41 1 6 {} {0.560942370371 0.578769746998 0.508968698824} C5 42 1 6 {} {0.607681492721 0.774127627984 0.50662991632} C6 43 1 8 {} {0.652694741443 0.712111793014 0.35109271497} O7 44 1 8 {} {0.702468198503 0.766082611837 0.47728971051} O8 45 1 14 {} {0.648750901105 0.420479256906 0.456267447813} Si8 46 1 7 {} {0.603199798265 0.368433466632 0.473846682927} N4 47 1 14 {} {0.583504712675 0.319249248018 0.385333364685} Si9 48 1 14 {} {0.57845435308 0.364226654479 0.579959929113} Si10 49 1 7 {} {0.613434768165 0.383242863903 0.667489797185} N5 50 1 7 {} {0.618293166624 0.256492759937 0.347472524868} N6 51 1 1 {} {0.653879322127 0.63859187055 0.58008893454} H22 52 1 1 {} {0.691850872744 0.619048146282 0.494137659129} H23 53 1 1 {} {0.628225728373 0.623288772191 0.327491358493} H24 54 1 1 {} {0.560528880049 0.569378377085 0.581269074707} H25 55 1 1 {} {0.538889158319 0.541753070479 0.477336076212} H26 56 1 1 {} {0.546250948906 0.628465387849 0.497544408401} H27 57 1 1 {} {0.606838021273 0.824625017531 0.477317307021} H28 58 1 1 {} {0.609873434254 0.779598642321 0.579710411581} H29 59 1 1 {} {0.575485605976 0.750106978705 0.492045707229} H30 60 1 1 {} {0.659565978226 0.750101255589 0.313227930926} H31 61 1 1 {} {0.703124663473 0.80026177235 0.522883361651} H32 62 1 1 {} {0.660092623943 0.415327233348 0.359301609153} H33 63 1 1 {} {0.687943827709 0.399650102268 0.511155459879} H34 64 1 1 {} {0.541671688275 0.287586622594 0.417905781415} H35 65 1 1 {} {0.575368622287 0.361881124525 0.305490354241} H36 66 1 1 {} {0.540806421731 0.413009063069 0.586692139139} H37 67 1 1 {} {0.561732854621 0.294324010757 0.591493507274} H38 68 1 1 {} {0.620012747125 0.432188577254 0.681299094124} H39 69 1 1 {} {0.640689847761 0.354663707099 0.680596177866} H40 70 1 1 {} {0.642619729771 0.26727431511 0.302724781719} H41 71 1 1 {} {0.627578178525 0.217948581499 0.387998620798} 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