#MD System 2.0 @Title neb0_image03 @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 {} {0.207695539611 0.528231899538 0.314028239343} C1 1 1 14 {} {0.261619892517 0.491235094124 0.272240629404} Si1 2 1 14 {} {0.161007778094 0.536711803793 0.233037077535} Si2 3 1 8 {} {0.27417863306 0.524253424464 0.174368863455} O1 4 1 8 {} {0.301612880388 0.511508396571 0.343108148839} O2 5 1 6 {} {0.259633864427 0.398057602886 0.265233851143} C2 6 1 6 {} {0.129443574561 0.457018471323 0.215283480293} C3 7 1 8 {} {0.185515234457 0.562545489 0.138754890188} O3 8 1 8 {} {0.125681080127 0.597858858184 0.260036499844} O4 9 1 14 {} {0.353096998335 0.540451984805 0.348341286303} Si3 10 1 7 {} {0.387811973308 0.477535258671 0.389968602875} N1 11 1 14 {} {0.442179646002 0.475903584726 0.348891004567} Si4 12 1 14 {} {0.367437716271 0.423344684471 0.472719404036} Si5 13 1 7 {} {0.338299165833 0.461119393244 0.558124059633} N2 14 1 7 {} {0.464017775398 0.55570247189 0.354848119311} N3 15 1 1 {} {0.196077436398 0.499626172527 0.372506629908} H1 16 1 1 {} {0.215542051953 0.579075665515 0.338170010524} H2 17 1 1 {} {0.248687209277 0.544472457999 0.143635902929} H3 18 1 1 {} {0.25447949558 0.375048450134 0.331057191345} H4 19 1 1 {} {0.291353667961 0.379027479848 0.238467704449} H5 20 1 1 {} {0.232864171284 0.380977536828 0.220517374684} H6 21 1 1 {} {0.102931481482 0.463231548172 0.165228811724} H7 22 1 1 {} {0.113901567582 0.439291422121 0.277472536462} H8 23 1 1 {} {0.151844968501 0.417201013086 0.191680668636} H9 24 1 1 {} {0.166994966673 0.585654839629 0.095592106177} H10 25 1 1 {} {0.0972828394728 0.58549126309 0.286043840842} H11 26 1 1 {} {0.369481177173 0.560459527934 0.258476413806} H12 27 1 1 {} {0.3519432811 0.599326069094 0.409397663828} H13 28 1 1 {} {0.466266224662 0.423607278235 0.401572363444} H14 29 1 1 {} {0.444341851776 0.458547203532 0.252127389634} H15 30 1 1 {} {0.335972659187 0.374180862674 0.432420721215} H16 31 1 1 {} {0.406914032775 0.389074494336 0.511970255135} H17 32 1 1 {} {0.306689289936 0.477617828073 0.547153717263} H18 33 1 1 {} {0.354293402275 0.491555040769 0.60209384266} H19 34 1 1 {} {0.487092334218 0.570573634741 0.309203081896} H20 35 1 1 {} {0.469804861381 0.577881394895 0.414788251143} H21 36 1 6 {} {0.652545492837 0.637626944604 0.498631847725} C4 37 1 14 {} {0.613085155831 0.57379871932 0.450773819847} Si6 38 1 14 {} {0.650163935172 0.724251889224 0.453761389848} Si7 39 1 8 {} {0.610622457613 0.582081266766 0.341121815662} O5 40 1 8 {} {0.63280390513 0.499053169189 0.475022175857} O6 41 1 6 {} {0.556075227371 0.579915216096 0.500135624623} C5 42 1 6 {} {0.60257921785 0.774700601216 0.498505048187} C6 43 1 8 {} {0.645967704452 0.713449974316 0.343283495594} O7 44 1 8 {} {0.697781238514 0.765630344318 0.469456741366} O8 45 1 14 {} {0.643339494134 0.421154173247 0.447144317815} Si8 46 1 7 {} {0.598012281859 0.368957312074 0.465295116047} N4 47 1 14 {} {0.578443603409 0.319718169948 0.376707103745} Si9 48 1 14 {} {0.57326652461 0.365588341068 0.571627552846} Si10 49 1 7 {} {0.608575866267 0.384413032253 0.658661253735} N5 50 1 7 {} {0.613412386401 0.257041814292 0.339354164483} N6 51 1 1 {} {0.648390332561 0.639128346825 0.571708328677} H22 52 1 1 {} {0.686609156296 0.61887162006 0.486171012644} H23 53 1 1 {} {0.623030280861 0.624368058027 0.319236876062} H24 54 1 1 {} {0.556137706382 0.570031555102 0.572277542046} H25 55 1 1 {} {0.534167495572 0.542813268905 0.468285997855} H26 56 1 1 {} {0.541544929444 0.62980871921 0.489044417461} H27 57 1 1 {} {0.601808921411 0.82512237591 0.469099717002} H28 58 1 1 {} {0.60462075452 0.780233021487 0.571447972447} H29 59 1 1 {} {0.570506457567 0.750553768015 0.483326579407} H30 60 1 1 {} {0.653886832342 0.750882235105 0.305306480673} H31 61 1 1 {} {0.698109105619 0.80067126869 0.514076788241} H32 62 1 1 {} {0.654857719614 0.416092164627 0.350408326028} H33 63 1 1 {} {0.682523300123 0.400778493387 0.501946909061} H34 64 1 1 {} {0.53665399361 0.28777065886 0.409601836715} H35 65 1 1 {} {0.570262284873 0.362594822091 0.29718239908} H36 66 1 1 {} {0.536103198898 0.414994037265 0.578039314496} H37 67 1 1 {} {0.556147717068 0.296157303945 0.583477605432} H38 68 1 1 {} {0.615089656 0.432971250579 0.673600980718} H39 69 1 1 {} {0.63553980613 0.355332463528 0.671820118014} H40 70 1 1 {} {0.638048838376 0.268115857689 0.295111915721} H41 71 1 1 {} {0.622974159947 0.219231067843 0.380594897565} 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