#MD System 2.0 @Title neb0_image05 @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 {} {0.21287269156 0.527287598647 0.322438960586} C1 1 1 14 {} {0.266805536954 0.49030627299 0.280650927275} Si1 2 1 14 {} {0.166184813108 0.535759312461 0.241454403282} Si2 3 1 8 {} {0.279412662786 0.52340175007 0.182851480048} O1 4 1 8 {} {0.306775420928 0.510588664718 0.351593833882} O2 5 1 6 {} {0.264840100663 0.397120426845 0.273596438365} C2 6 1 6 {} {0.134644273569 0.456049855879 0.223712495151} C3 7 1 8 {} {0.190661067601 0.561617605863 0.147182201175} O3 8 1 8 {} {0.13083735107 0.596871170104 0.268372057986} O4 9 1 14 {} {0.358266321074 0.53948473825 0.356704401717} Si3 10 1 7 {} {0.392952734642 0.476565716306 0.398366701143} N1 11 1 14 {} {0.447181767443 0.474847820721 0.357080888118} Si4 12 1 14 {} {0.372607160814 0.422409153641 0.481186869713} Si5 13 1 7 {} {0.343497037351 0.460195472091 0.56653991395} N2 14 1 7 {} {0.46867666698 0.554833444979 0.362494106936} N3 15 1 1 {} {0.201268284718 0.498667695585 0.380916283629} H1 16 1 1 {} {0.220719788778 0.578114920504 0.346617017416} H2 17 1 1 {} {0.253884388869 0.543502556591 0.152083122297} H3 18 1 1 {} {0.259689434759 0.374134333749 0.339437220955} H4 19 1 1 {} {0.296560865635 0.378086830965 0.2468452063} H5 20 1 1 {} {0.238065134976 0.380010466231 0.228908411315} H6 21 1 1 {} {0.108127844556 0.462249070177 0.173655488243} H7 22 1 1 {} {0.119107498316 0.438306758435 0.285897543131} H8 23 1 1 {} {0.157050872904 0.416250814859 0.200085468252} H9 24 1 1 {} {0.172178044643 0.584706921237 0.10395012669} H10 25 1 1 {} {0.102453973435 0.584543059475 0.294457542805} H11 26 1 1 {} {0.374647979412 0.559470193657 0.266838241776} H12 27 1 1 {} {0.357135174919 0.598329271975 0.417731606334} H13 28 1 1 {} {0.471470026385 0.422780361228 0.409983077924} H14 29 1 1 {} {0.449566135669 0.457586554246 0.26055318867} H15 30 1 1 {} {0.341157243445 0.373231999851 0.440841563197} H16 31 1 1 {} {0.412101631238 0.388138657589 0.52037964358} H17 32 1 1 {} {0.311889094191 0.476680176799 0.555574988759} H18 33 1 1 {} {0.359507476566 0.490587578719 0.610514105741} H19 34 1 1 {} {0.492188903481 0.569605237951 0.317704917278} H20 35 1 1 {} {0.474533851555 0.576947245108 0.42239766407} H21 36 1 6 {} {0.647375337082 0.638573959319 0.49019422582} C4 37 1 14 {} {0.6079972025 0.574784492853 0.442517182026} Si6 38 1 14 {} {0.644969309988 0.725200137656 0.44537235469} Si7 39 1 8 {} {0.605421221097 0.583026000499 0.332787733831} O5 40 1 8 {} {0.627533937836 0.499958788243 0.466595738803} O6 41 1 6 {} {0.551225035301 0.581065180336 0.492237734088} C5 42 1 6 {} {0.597388205476 0.77564727533 0.490104723936} C6 43 1 8 {} {0.640628711993 0.714428029421 0.334896260225} O7 44 1 8 {} {0.692592865808 0.766548346401 0.461028825442} O8 45 1 14 {} {0.638123313738 0.422087255344 0.438692348129} Si8 46 1 7 {} {0.592835136074 0.369916417506 0.456931378177} N4 47 1 14 {} {0.573302644862 0.320597763267 0.368331687491} Si9 48 1 14 {} {0.568048404028 0.366586026608 0.56305072617} Si10 49 1 7 {} {0.603357142289 0.385339041212 0.650159849424} N5 50 1 7 {} {0.608257010641 0.257962330758 0.330965230264} N6 51 1 1 {} {0.643193805738 0.640070366569 0.56326339189} H22 52 1 1 {} {0.68141764601 0.619787081869 0.477770469979} H23 53 1 1 {} {0.617843517004 0.625312702048 0.310875339561} H24 54 1 1 {} {0.551064102141 0.571004395611 0.564226077877} H25 55 1 1 {} {0.529638377286 0.543684619405 0.460424760989} H26 56 1 1 {} {0.536461986881 0.630720092533 0.480719043963} H27 57 1 1 {} {0.596624180766 0.826073017905 0.460697076582} H28 58 1 1 {} {0.599436957984 0.781164735318 0.563045664398} H29 59 1 1 {} {0.565318177621 0.751493822018 0.474903860773} H30 60 1 1 {} {0.64868730423 0.751811145385 0.296945384343} H31 61 1 1 {} {0.692931391185 0.801588739485 0.505654993494} H32 62 1 1 {} {0.649684434599 0.417042001138 0.341954947444} H33 63 1 1 {} {0.677325183853 0.401737819183 0.493512266722} H34 64 1 1 {} {0.531490266317 0.28869765661 0.401189555274} H35 65 1 1 {} {0.565088078044 0.363538469392 0.288771922569} H36 66 1 1 {} {0.530944179335 0.415985468343 0.569645718236} H37 67 1 1 {} {0.550943890201 0.297139268787 0.575070930655} H38 68 1 1 {} {0.609925086347 0.433960552185 0.665253148095} H39 69 1 1 {} {0.630395370579 0.35622260611 0.663428302779} H40 70 1 1 {} {0.632880832735 0.269055098371 0.286776251623} H41 71 1 1 {} {0.617808352543 0.220222537459 0.372214930217} 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