#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 {} {0.208056951686 0.52826309859 0.31397521009} C1 1 1 14 {} {0.261730489125 0.490776844593 0.272560558399} Si1 2 1 14 {} {0.161448367397 0.536476696016 0.233017179756} Si2 3 1 8 {} {0.27375407676 0.521788920204 0.173212664431} O1 4 1 8 {} {0.302122195056 0.511480529567 0.342334928973} O2 5 1 6 {} {0.259598071542 0.397719645438 0.266154381004} C2 6 1 6 {} {0.129554658102 0.457093595444 0.215382909194} C3 7 1 8 {} {0.185876512004 0.56265331919 0.138861164297} O3 8 1 8 {} {0.12634673625 0.597379779739 0.261667182393} O4 9 1 14 {} {0.353423323154 0.540867817052 0.349307191349} Si3 10 1 7 {} {0.387937906869 0.477689735625 0.39063762128} N1 11 1 14 {} {0.441601494233 0.474984537939 0.346893170449} Si4 12 1 14 {} {0.367682493082 0.423125827572 0.473185916467} Si5 13 1 7 {} {0.338167605914 0.460506223094 0.558578919058} N2 14 1 7 {} {0.461924118298 0.55570572183 0.350588351611} N3 15 1 1 {} {0.196373786492 0.499741824916 0.372403201668} H1 16 1 1 {} {0.216106885896 0.579172848804 0.337553296239} H2 17 1 1 {} {0.248993595054 0.544440351568 0.143169710418} H3 18 1 1 {} {0.254346334369 0.374173719741 0.331455606093} H4 19 1 1 {} {0.291231376875 0.378375037087 0.239485814924} H5 20 1 1 {} {0.232842063768 0.381101565368 0.221178439532} H6 21 1 1 {} {0.103115254251 0.463790620438 0.165236150803} H7 22 1 1 {} {0.113834861351 0.439769775639 0.277649995952} H8 23 1 1 {} {0.151735205611 0.416921909665 0.191980653475} H9 24 1 1 {} {0.167023019973 0.585785934521 0.0963460595926} H10 25 1 1 {} {0.0977320436295 0.584875889284 0.286611546325} H11 26 1 1 {} {0.369875324509 0.560994892991 0.260105068596} H12 27 1 1 {} {0.352086184772 0.599260302836 0.410251314342} H13 28 1 1 {} {0.466344664229 0.42394501579 0.400377801774} H14 29 1 1 {} {0.443998211105 0.456734480699 0.251055788981} H15 30 1 1 {} {0.336345003172 0.374136924924 0.432444197735} H16 31 1 1 {} {0.407216636329 0.388761070712 0.511810495395} H17 32 1 1 {} {0.306693700763 0.4773036115 0.547010619068} H18 33 1 1 {} {0.354018758647 0.491870614984 0.602088100276} H19 34 1 1 {} {0.487180554189 0.569388711837 0.308866854423} H20 35 1 1 {} {0.466817427333 0.578203590516 0.410435839639} H21 36 1 6 {} {0.653035751333 0.63828869009 0.498158682346} C4 37 1 14 {} {0.613706722991 0.574443498584 0.451556933548} Si6 38 1 14 {} {0.650335472465 0.724661468309 0.453144642956} Si7 39 1 8 {} {0.608996875997 0.582837589172 0.34193752925} O5 40 1 8 {} {0.633810860692 0.499794643743 0.474975991814} O6 41 1 6 {} {0.557525165434 0.580188811214 0.50390258629} C5 42 1 6 {} {0.602514017042 0.775009053974 0.498027579999} C6 43 1 8 {} {0.647298832674 0.713082616552 0.342621280006} O7 44 1 8 {} {0.697669859646 0.766557196763 0.469271065505} O8 45 1 14 {} {0.643279063121 0.421524906227 0.447722596114} Si8 46 1 7 {} {0.597904187835 0.36912709791 0.465234611249} N4 47 1 14 {} {0.578357030834 0.31981814584 0.376876081322} Si9 48 1 14 {} {0.57254794827 0.365220328427 0.570582486106} Si10 49 1 7 {} {0.609039306377 0.384718527634 0.658318663314} N5 50 1 7 {} {0.61238673893 0.257251045521 0.337885647247} N6 51 1 1 {} {0.648576422545 0.639324294947 0.571157584381} H22 52 1 1 {} {0.687182575888 0.620224284165 0.485666016003} H23 53 1 1 {} {0.622546441989 0.624103578221 0.318730646467} H24 54 1 1 {} {0.556835281636 0.571523281777 0.576337846487} H25 55 1 1 {} {0.537282882612 0.541133453524 0.471996351683} H26 56 1 1 {} {0.541935569208 0.628979111991 0.49018995202} H27 57 1 1 {} {0.601542886218 0.825434199765 0.468497830143} H28 58 1 1 {} {0.604469428389 0.780671185749 0.571080169937} H29 59 1 1 {} {0.570327493976 0.75100808342 0.483244026038} H30 60 1 1 {} {0.653913626534 0.751085429568 0.304251636626} H31 61 1 1 {} {0.697866122838 0.801300642162 0.513883778815} H32 62 1 1 {} {0.654532404723 0.416401062006 0.35047658405} H33 63 1 1 {} {0.682568134714 0.40115017329 0.502362032908} H34 64 1 1 {} {0.536320286188 0.28863657087 0.409632545797} H35 65 1 1 {} {0.569893080224 0.363005622098 0.297344018941} H36 66 1 1 {} {0.53537066787 0.414347031091 0.579268737178} H37 67 1 1 {} {0.556287553229 0.295297570262 0.583745145164} H38 68 1 1 {} {0.614438452728 0.432841228228 0.672994980409} H39 69 1 1 {} {0.635061366803 0.356002014714 0.671961862131} H40 70 1 1 {} {0.637150863801 0.268336627261 0.293891321725} H41 71 1 1 {} {0.622032688593 0.218712639751 0.379004670507} 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