#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 {} {0.358082429277 0.546652169216 0.414066292758} C1 1 1 14 {} {0.334793292579 0.520069573076 0.524814805654} Si1 2 1 14 {} {0.419702108796 0.557544325223 0.409664587238} Si2 3 1 8 {} {0.347951376467 0.57680686533 0.600697256434} O1 4 1 8 {} {0.279844866714 0.518359401104 0.517719328929} O2 5 1 6 {} {0.353727321767 0.434869136631 0.559422247341} C2 6 1 6 {} {0.450993559449 0.477338146022 0.395018989878} C3 7 1 8 {} {0.432753817576 0.592331162026 0.508510233484} O3 8 1 8 {} {0.432901505533 0.608847029506 0.326639884235} O4 9 1 14 {} {0.229392651942 0.522817646379 0.558974501265} Si3 10 1 7 {} {0.209722255933 0.444702066029 0.593185176252} N1 11 1 14 {} {0.187285395534 0.43640417955 0.700648935075} Si4 12 1 14 {} {0.210305604017 0.376999254514 0.518125891237} Si5 13 1 7 {} {0.204229850475 0.398292972959 0.407712417382} N2 14 1 7 {} {0.136849243009 0.475503249278 0.720735271232} N3 15 1 1 {} {0.348108083023 0.51093069574 0.361738146649} H1 16 1 1 {} {0.342510745767 0.594988097887 0.397038337877} H2 17 1 1 {} {0.377819943016 0.595202480475 0.591168259693} H3 18 1 1 {} {0.345034444586 0.396240129245 0.51013660707} H4 19 1 1 {} {0.338028782264 0.421004987773 0.623106404415} H5 20 1 1 {} {0.390051934108 0.433587864841 0.569413420465} H6 21 1 1 {} {0.487117518197 0.48681044005 0.391902369134} H7 22 1 1 {} {0.441429361627 0.452982113603 0.332033649339} H8 23 1 1 {} {0.444874557666 0.441719558556 0.449507559661} H9 24 1 1 {} {0.463449709118 0.607160394962 0.514830404083} H10 25 1 1 {} {0.464856866881 0.611897915517 0.315211598} H11 26 1 1 {} {0.227709261856 0.567001945406 0.63924696318} H12 27 1 1 {} {0.200542633833 0.550939466418 0.487346462144} H13 28 1 1 {} {0.180582847133 0.363330168245 0.714896449223} H14 29 1 1 {} {0.21882766422 0.465603955306 0.766650171514} H15 30 1 1 {} {0.253582111965 0.340476831803 0.523928090131} H16 31 1 1 {} {0.172711303059 0.332357457316 0.544704762545} H17 32 1 1 {} {0.231218044041 0.41285540108 0.371611308202} H18 33 1 1 {} {0.176206103661 0.421608159668 0.385486216705} H19 34 1 1 {} {0.136077144023 0.525093907404 0.735804534512} H20 35 1 1 {} {0.108806114022 0.46168672844 0.687234161946} H21 36 1 6 {} {0.632716731478 0.645993404396 0.348951616076} C4 37 1 14 {} {0.589571736077 0.583523706187 0.386399669013} Si6 38 1 14 {} {0.627056659313 0.734469920834 0.385501337114} Si7 39 1 8 {} {0.539313769646 0.618992084963 0.380798979862} O5 40 1 8 {} {0.59038997621 0.518963892662 0.319290046127} O6 41 1 6 {} {0.60066352556 0.551530037451 0.501253271214} C5 42 1 6 {} {0.645220995785 0.751509134754 0.502644077307} C6 43 1 8 {} {0.572251856253 0.749312499953 0.373902969252} O7 44 1 8 {} {0.6548707873 0.783778595091 0.315614070309} O8 45 1 14 {} {0.583999671516 0.458672745368 0.246279789059} Si8 46 1 7 {} {0.59649642476 0.380524656034 0.289202546477} N4 47 1 14 {} {0.552910680162 0.324253918531 0.312867163605} Si9 48 1 14 {} {0.651084889835 0.355147880606 0.314569568086} Si10 49 1 7 {} {0.692151481967 0.401358631657 0.263411053524} N5 50 1 7 {} {0.528927726452 0.281083233315 0.225973338641} N6 51 1 1 {} {0.666111047486 0.627629547724 0.367698377186} H22 52 1 1 {} {0.631955700481 0.646769839986 0.275301334366} H23 53 1 1 {} {0.54148144904 0.668047352816 0.375955456296} H24 54 1 1 {} {0.632776045082 0.524949857877 0.503987287913} H25 55 1 1 {} {0.57455265451 0.515997821652 0.521578838503} H26 56 1 1 {} {0.601557536456 0.592068356838 0.550828345469} H27 57 1 1 {} {0.639961525006 0.804288104863 0.520815298555} H28 58 1 1 {} {0.680813659882 0.740112542041 0.512008031066} H29 59 1 1 {} {0.626233098582 0.720956569049 0.55038545428} H30 60 1 1 {} {0.561792508452 0.795155349608 0.371038376055} H31 61 1 1 {} {0.67274472177 0.819513367172 0.340684406181} H32 62 1 1 {} {0.536329257977 0.456654657057 0.217579431226} H33 63 1 1 {} {0.61320302902 0.474657143107 0.168752331684} H34 64 1 1 {} {0.572832852974 0.273435234768 0.374004161471} H35 65 1 1 {} {0.516100160916 0.362103930733 0.356083449603} H36 66 1 1 {} {0.660333589716 0.361261516654 0.41211370201} H37 67 1 1 {} {0.654845851465 0.283721472848 0.286465938187} H38 68 1 1 {} {0.705347056669 0.442183689783 0.293770019436} H39 69 1 1 {} {0.695076944907 0.40431187778 0.196092531495} H40 70 1 1 {} {0.506782325756 0.304362030693 0.184891205701} H41 71 1 1 {} {0.54638393296 0.245625778895 0.191926484117} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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