#MD System 2.0 @Title neb0_image02 @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 {} {0.351106574934 0.555084974636 0.421889339892} C1 1 1 14 {} {0.332067878022 0.522081487852 0.532946049524} Si1 2 1 14 {} {0.406346837162 0.597201577438 0.417704965817} Si2 3 1 8 {} {0.33530929455 0.582354086895 0.608211204158} O1 4 1 8 {} {0.27914984789 0.500093535666 0.525009812124} O2 5 1 6 {} {0.363703860646 0.446116298362 0.568340022557} C2 6 1 6 {} {0.455419113728 0.539601554554 0.411428577865} C3 7 1 8 {} {0.407945695571 0.641623559915 0.512800096538} O3 8 1 8 {} {0.406668471375 0.648090295247 0.32991763889} O4 9 1 14 {} {0.226818473281 0.505706280298 0.555619107641} Si3 10 1 7 {} {0.207169099171 0.426987007462 0.587051409363} N1 11 1 14 {} {0.171132522757 0.422632425855 0.678895388427} Si4 12 1 14 {} {0.222773869104 0.356975628352 0.52311487411} Si5 13 1 7 {} {0.223992253066 0.36934053853 0.409499363058} N2 14 1 7 {} {0.123626136272 0.47096638876 0.671715184835} N3 15 1 1 {} {0.350657972798 0.514651921258 0.371856003473} H1 16 1 1 {} {0.326173939901 0.592256858848 0.399890787679} H2 17 1 1 {} {0.359096036334 0.614486889119 0.59515497185} H3 18 1 1 {} {0.360382948644 0.405118544076 0.519841856375} H4 19 1 1 {} {0.351029104212 0.428059734802 0.632843754914} H5 20 1 1 {} {0.399415872471 0.457093849305 0.576633311262} H6 21 1 1 {} {0.487199085184 0.567250295747 0.410654016587} H7 22 1 1 {} {0.453992671086 0.509011474393 0.350457072728} H8 23 1 1 {} {0.456383251438 0.505439873267 0.468859796269} H9 24 1 1 {} {0.433203014101 0.670928122089 0.52308740109} H10 25 1 1 {} {0.435010509269 0.656899564912 0.301146536053} H11 26 1 1 {} {0.221030367655 0.551351835054 0.633633096839} H12 27 1 1 {} {0.201294037255 0.532250600247 0.477921722771} H13 28 1 1 {} {0.158240994454 0.350935776746 0.687029093195} H14 29 1 1 {} {0.194168362637 0.446970391318 0.760796916267} H15 30 1 1 {} {0.268699426659 0.335286166256 0.548025257584} H16 31 1 1 {} {0.189639552279 0.30355710374 0.54339036297} H17 32 1 1 {} {0.250425279995 0.393342831751 0.381559913851} H18 33 1 1 {} {0.195517058408 0.380006829755 0.375492753125} H19 34 1 1 {} {0.123428186368 0.518552566126 0.695496410832} H20 35 1 1 {} {0.100952589093 0.46503163027 0.621950969974} H21 36 1 6 {} {0.590855300972 0.327574241028 0.309976083928} C4 37 1 14 {} {0.586078561066 0.361141099454 0.426956918001} Si6 38 1 14 {} {0.574904270362 0.238487728616 0.292065562138} Si7 39 1 8 {} {0.614704938654 0.312070185032 0.494983066857} O5 40 1 8 {} {0.608727067024 0.436180001661 0.431982092938} O6 41 1 6 {} {0.526822979278 0.369843037288 0.463590719303} C5 42 1 6 {} {0.514002217072 0.227883213176 0.268426688495} C6 43 1 8 {} {0.590185981931 0.199856136595 0.386338545589} O7 44 1 8 {} {0.604622384546 0.20149201971 0.212178343605} O8 45 1 14 {} {0.652456362869 0.481026684252 0.46063569517} Si8 46 1 7 {} {0.636960944427 0.562108443435 0.487701927315} N4 47 1 14 {} {0.643215346649 0.589658542037 0.598016096487} Si9 48 1 14 {} {0.61307415374 0.615763517457 0.408240585634} Si10 49 1 7 {} {0.624067465025 0.596718611836 0.298645199472} N5 50 1 7 {} {0.696230940958 0.609469929791 0.634169067321} N6 51 1 1 {} {0.571439721352 0.35934235204 0.264033035546} H22 52 1 1 {} {0.62618267834 0.332719884304 0.290386061199} H23 53 1 1 {} {0.613153974656 0.264930317005 0.477499876573} H24 54 1 1 {} {0.507707357797 0.402818860791 0.419033867743} H25 55 1 1 {} {0.525608311863 0.391322754489 0.531107791959} H26 56 1 1 {} {0.510036024107 0.320934007795 0.465972934995} H27 57 1 1 {} {0.504665363094 0.17478008873 0.263770214472} H28 58 1 1 {} {0.50477164357 0.252066008136 0.205050719872} H29 59 1 1 {} {0.493579667615 0.250812210481 0.321153865172} H30 60 1 1 {} {0.592842740896 0.151509843885 0.384091598761} H31 61 1 1 {} {0.591413072251 0.197480093342 0.153457511323} H32 62 1 1 {} {0.674462289628 0.452213144316 0.5412775221} H33 63 1 1 {} {0.684188922623 0.480598919265 0.383989070154} H34 64 1 1 {} {0.615937074728 0.651915467447 0.604815857569} H35 65 1 1 {} {0.627082483088 0.536742711369 0.660042877044} H36 66 1 1 {} {0.563340900454 0.614848584211 0.4164059066} H37 67 1 1 {} {0.63000552357 0.684538553396 0.426929016033} H38 68 1 1 {} {0.607810638468 0.557972575092 0.26913049408} H39 69 1 1 {} {0.65574865369 0.600029438615 0.274836478945} H40 70 1 1 {} {0.717598576818 0.572316023296 0.652224177642} H41 71 1 1 {} {0.713177246764 0.648622601227 0.60710579903} 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