#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 {} {0.358082766732 0.546655456553 0.414053806181} C1 1 1 14 {} {0.334828177495 0.52008578657 0.524856079845} Si1 2 1 14 {} {0.419680444536 0.557557843712 0.409681985876} Si2 3 1 8 {} {0.34796320449 0.576796445952 0.600672057605} O1 4 1 8 {} {0.279797885236 0.518341329799 0.517740263529} O2 5 1 6 {} {0.353727526795 0.434880261358 0.559412718559} C2 6 1 6 {} {0.450997159039 0.477338441538 0.395006692728} C3 7 1 8 {} {0.43275997082 0.592348618948 0.508491179204} O3 8 1 8 {} {0.432900187286 0.608846068198 0.326625546917} O4 9 1 14 {} {0.229414187525 0.522814543054 0.558955435131} Si3 10 1 7 {} {0.209718942699 0.444693599075 0.593193797174} N1 11 1 14 {} {0.187287391921 0.436400472512 0.700647440983} Si4 12 1 14 {} {0.210310217185 0.376997946353 0.518129006608} Si5 13 1 7 {} {0.204223745533 0.398300544367 0.407728704687} N2 14 1 7 {} {0.136844376773 0.475495519336 0.720734385833} N3 15 1 1 {} {0.348107466357 0.510940631 0.361744738324} H1 16 1 1 {} {0.34251137218 0.594986295643 0.397042387419} H2 17 1 1 {} {0.377804029662 0.595194239667 0.591167870076} H3 18 1 1 {} {0.345035726121 0.396238571642 0.510136075958} H4 19 1 1 {} {0.338031604427 0.421008290099 0.623111204645} H5 20 1 1 {} {0.390057696343 0.433591104274 0.569414195721} H6 21 1 1 {} {0.487117683509 0.486821379623 0.391891369038} H7 22 1 1 {} {0.441426214408 0.452988976966 0.332025162497} H8 23 1 1 {} {0.44487426215 0.441719910404 0.449506831827} H9 24 1 1 {} {0.463441228399 0.607155927356 0.514822182966} H10 25 1 1 {} {0.464841172902 0.6118829068 0.315204031887} H11 26 1 1 {} {0.227707637912 0.567002186499 0.639252444883} H12 27 1 1 {} {0.200547384847 0.550938077533 0.48735409179} H13 28 1 1 {} {0.180579945055 0.363332223162 0.714896705032} H14 29 1 1 {} {0.218823716336 0.465603012182 0.766649093914} H15 30 1 1 {} {0.253579793318 0.340481815514 0.523930397816} H16 31 1 1 {} {0.172710733814 0.332351736306 0.5447061751} H17 32 1 1 {} {0.231223481281 0.412858367442 0.371606071877} H18 33 1 1 {} {0.176203246831 0.421606359595 0.385484585664} H19 34 1 1 {} {0.136076118759 0.525095137576 0.735807505312} H20 35 1 1 {} {0.108803693255 0.461687308549 0.687230209851} H21 36 1 6 {} {0.632726684618 0.645988362286 0.348940631961} C4 37 1 14 {} {0.589560633551 0.583534102455 0.386406579129} Si6 38 1 14 {} {0.6270507645 0.734471864099 0.385509934103} Si7 39 1 8 {} {0.539329423014 0.619003124712 0.380812076048} O5 40 1 8 {} {0.590390823097 0.518953877442 0.319277701638} O6 41 1 6 {} {0.600670590702 0.551524895609 0.501247870196} C5 42 1 6 {} {0.645220759828 0.75150712546 0.502635138396} C6 43 1 8 {} {0.572254804111 0.74931700045 0.373898442221} O7 44 1 8 {} {0.654877865437 0.783776289538 0.315608757493} O8 45 1 14 {} {0.584005710775 0.458689585291 0.246273985503} Si8 46 1 7 {} {0.596459805077 0.380495402155 0.28920898992} N4 47 1 14 {} {0.552932394392 0.324302499375 0.312947630507} Si9 48 1 14 {} {0.651108966847 0.355146178157 0.314561115305} Si10 49 1 7 {} {0.692142686229 0.401341865752 0.263439432074} N5 50 1 7 {} {0.528912023481 0.281056250182 0.225919318169} N6 51 1 1 {} {0.666109086354 0.627633453793 0.367698247327} H22 52 1 1 {} {0.631958866634 0.646768700985 0.275304088649} H23 53 1 1 {} {0.541493610505 0.668048700333 0.375960116899} H24 54 1 1 {} {0.632778116327 0.524947622879 0.503979969699} H25 55 1 1 {} {0.574555419318 0.515990898651 0.52157755158} H26 56 1 1 {} {0.60156227066 0.592062653322 0.550828438746} H27 57 1 1 {} {0.639961596632 0.804289611409 0.520815812309} H28 58 1 1 {} {0.680814396301 0.740113688175 0.51200954437} H29 59 1 1 {} {0.626234079132 0.720956932764 0.550386905095} H30 60 1 1 {} {0.561793513316 0.795148105704 0.371038004601} H31 61 1 1 {} {0.672746451959 0.819515635289 0.340688571189} H32 62 1 1 {} {0.536327901338 0.456653977892 0.217582030685} H33 63 1 1 {} {0.613200557327 0.474653580353 0.16876450941} H34 64 1 1 {} {0.572830970054 0.273441628014 0.37399686478} H35 65 1 1 {} {0.516108868247 0.36210462839 0.356069228161} H36 66 1 1 {} {0.660332945277 0.36125641435 0.412113363386} H37 67 1 1 {} {0.654841504296 0.283722392875 0.286469278159} H38 68 1 1 {} {0.705343841863 0.442178776833 0.293768182319} H39 69 1 1 {} {0.69507832947 0.404312865282 0.196078797603} H40 70 1 1 {} {0.50677993377 0.304368908095 0.184890758515} H41 71 1 1 {} {0.546385728896 0.245621326911 0.191931351044} 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