#MD System 2.0 @Title neb0_image06 @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 {} {0.215898573129 0.526731183691 0.32716857946} C1 1 1 14 {} {0.269731303551 0.489655009974 0.285345426992} Si1 2 1 14 {} {0.169208848786 0.535162215325 0.246281137073} Si2 3 1 8 {} {0.282319692781 0.522288991628 0.187249609266} O1 4 1 8 {} {0.309572988119 0.510492941432 0.356411768986} O2 5 1 6 {} {0.267899776538 0.396481597778 0.278685160497} C2 6 1 6 {} {0.137650376084 0.455477674351 0.228479359841} C3 7 1 8 {} {0.193707541615 0.561392855664 0.152194022397} O3 8 1 8 {} {0.133777583611 0.5960339387 0.273601126105} O4 9 1 14 {} {0.361070475294 0.539138471419 0.361421982168} Si3 10 1 7 {} {0.39528578564 0.475476713929 0.402829667649} N1 11 1 14 {} {0.448629795555 0.473635130636 0.358046487469} Si4 12 1 14 {} {0.375395882275 0.42159077867 0.486558299201} Si5 13 1 7 {} {0.346361617913 0.459541906267 0.571879656799} N2 14 1 7 {} {0.466049812654 0.556239439072 0.358138224138} N3 15 1 1 {} {0.204297189915 0.498159047415 0.38567813088} H1 16 1 1 {} {0.223796378091 0.577573694754 0.351237942376} H2 17 1 1 {} {0.256920702135 0.542948336728 0.156784145325} H3 18 1 1 {} {0.26269561704 0.373415318043 0.344444756246} H4 19 1 1 {} {0.299592456141 0.377401880626 0.251897235313} H5 20 1 1 {} {0.241102752155 0.379532683263 0.233935113494} H6 21 1 1 {} {0.111109573599 0.461768416535 0.1784807015} H7 22 1 1 {} {0.122088774316 0.437866639953 0.290729410393} H8 23 1 1 {} {0.159976565883 0.415549192182 0.204934220087} H9 24 1 1 {} {0.17513304501 0.584212449823 0.108925675395} H10 25 1 1 {} {0.105424885116 0.583651700717 0.299576090196} H11 26 1 1 {} {0.377514504559 0.558955235536 0.271641840147} H12 27 1 1 {} {0.360226366752 0.59786452808 0.422846942046} H13 28 1 1 {} {0.474475078147 0.424072830369 0.413407784512} H14 29 1 1 {} {0.451858432185 0.453838994767 0.262612440445} H15 30 1 1 {} {0.344013586905 0.372305455967 0.446002033674} H16 31 1 1 {} {0.415168949748 0.387586042317 0.525223876515} H17 32 1 1 {} {0.314796252993 0.476179288256 0.56047624741} H18 33 1 1 {} {0.362363824288 0.490195599838 0.615517028083} H19 34 1 1 {} {0.493622742232 0.56743454919 0.319931318345} H20 35 1 1 {} {0.469678337479 0.577743142139 0.419232334317} H21 36 1 6 {} {0.645962749551 0.639803038036 0.485349590124} C4 37 1 14 {} {0.606738324338 0.575996966933 0.439708102381} Si6 38 1 14 {} {0.64221063926 0.726079431 0.440201569542} Si7 39 1 8 {} {0.601516578626 0.584047306244 0.330025634864} O5 40 1 8 {} {0.625391167334 0.500463533896 0.461559332176} O6 41 1 6 {} {0.551419176193 0.582437178172 0.493848738313} C5 42 1 6 {} {0.594363255089 0.776159801635 0.485072170288} C6 43 1 8 {} {0.63804821066 0.714785887356 0.329814541825} O7 44 1 8 {} {0.689594957824 0.767672271284 0.455965372294} O8 45 1 14 {} {0.63527254662 0.422403282983 0.434061217155} Si8 46 1 7 {} {0.589771503977 0.3703836927 0.451850867996} N4 47 1 14 {} {0.570328287378 0.321179240549 0.363674649781} Si9 48 1 14 {} {0.565038724781 0.367173648171 0.558687574292} Si10 49 1 7 {} {0.600477236081 0.385876928205 0.644982267954} N5 50 1 7 {} {0.605157983306 0.25836217113 0.325793871749} N6 51 1 1 {} {0.64054502704 0.640653302139 0.558081288864} H22 52 1 1 {} {0.680081875905 0.621419895807 0.47324884777} H23 53 1 1 {} {0.614420619428 0.625489614588 0.306257972572} H24 54 1 1 {} {0.551043037662 0.574058027836 0.566321908116} H25 55 1 1 {} {0.532888443758 0.541227933804 0.462655380556} H26 56 1 1 {} {0.534882401295 0.629975168213 0.478471840604} H27 57 1 1 {} {0.593603563924 0.826622338452 0.455705190773} H28 58 1 1 {} {0.596455236995 0.781754992123 0.558016348565} H29 59 1 1 {} {0.5622194847 0.75215970188 0.470044746725} H30 60 1 1 {} {0.645698026626 0.752336803301 0.291793548226} H31 61 1 1 {} {0.689884297638 0.802472248972 0.50094270359} H32 62 1 1 {} {0.646642422308 0.417596357487 0.336958778203} H33 63 1 1 {} {0.674473489425 0.402256953216 0.488754000927} H34 64 1 1 {} {0.528499260119 0.289283497807 0.396440327383} H35 65 1 1 {} {0.562090381393 0.364200497828 0.283953764252} H36 66 1 1 {} {0.527944472146 0.416442596566 0.565643459187} H37 67 1 1 {} {0.547913462283 0.297558832912 0.570303212613} H38 68 1 1 {} {0.606771680811 0.434506770064 0.660526289108} H39 69 1 1 {} {0.627436725768 0.356718253061 0.658718393403} H40 70 1 1 {} {0.629785951638 0.26956004852 0.281690347187} H41 71 1 1 {} {0.614690606512 0.220590888274 0.366878427579} 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