#MD System 2.0 @Title neb0_image09 @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 {} {0.223731893873 0.525301319659 0.340033930384} C1 1 1 14 {} {0.277695525985 0.488343554351 0.29827416593} Si1 2 1 14 {} {0.177050825932 0.533771996763 0.259041047243} Si2 3 1 8 {} {0.29026942902 0.521374934086 0.200425587695} O1 4 1 8 {} {0.317650081789 0.508732983686 0.369266325278} O2 5 1 6 {} {0.275723639346 0.395134287383 0.291214389606} C2 6 1 6 {} {0.145504780178 0.454054239763 0.241297956563} C3 7 1 8 {} {0.201560528726 0.559715492516 0.164839137282} O3 8 1 8 {} {0.141700799186 0.594850466508 0.285985664515} O4 9 1 14 {} {0.369137210539 0.537498244941 0.374112062845} Si3 10 1 7 {} {0.403229597219 0.474297965466 0.416696837804} N1 11 1 14 {} {0.455643931348 0.469666476658 0.371584116677} Si4 12 1 14 {} {0.383358522864 0.420315517873 0.499079507907} Si5 13 1 7 {} {0.354405566272 0.45820830664 0.584010276563} N2 14 1 7 {} {0.471646516398 0.556178427946 0.36795048096} N3 15 1 1 {} {0.212141209484 0.496669523815 0.398520689588} H1 16 1 1 {} {0.231594160488 0.57612067782 0.364225959503} H2 17 1 1 {} {0.264737516856 0.541507984551 0.169673889267} H3 18 1 1 {} {0.270565645401 0.372136046684 0.357042600778} H4 19 1 1 {} {0.307437262629 0.376078309032 0.264467096205} H5 20 1 1 {} {0.248941755364 0.378013820292 0.24653125285} H6 21 1 1 {} {0.118987478925 0.460255803595 0.191245707779} H7 22 1 1 {} {0.129978844399 0.436316355232 0.30350646743} H8 23 1 1 {} {0.167918931114 0.414255011842 0.217700668748} H9 24 1 1 {} {0.183042498426 0.582723311717 0.121554508116} H10 25 1 1 {} {0.113312446862 0.582523120466 0.312092892165} H11 26 1 1 {} {0.385404407052 0.557447881944 0.284425835394} H12 27 1 1 {} {0.368034522313 0.596257245549 0.435305861236} H13 28 1 1 {} {0.482139271692 0.421850411358 0.426736094567} H14 29 1 1 {} {0.460471640244 0.454472004075 0.276829287802} H15 30 1 1 {} {0.352015326205 0.371181728959 0.458582039733} H16 31 1 1 {} {0.422995792729 0.386118821324 0.53795363423} H17 32 1 1 {} {0.322761117879 0.474641205482 0.573210099032} H18 33 1 1 {} {0.370352845632 0.488569545317 0.628152880595} H19 34 1 1 {} {0.500114083387 0.566566277892 0.335863459464} H20 35 1 1 {} {0.476004503461 0.575680170918 0.428090756161} H21 36 1 6 {} {0.637255930446 0.640909470338 0.472459231698} C4 37 1 14 {} {0.599642728335 0.577532963916 0.425666208128} Si6 38 1 14 {} {0.634185115481 0.727134071834 0.42775756193} Si7 39 1 8 {} {0.594014163609 0.58506446169 0.316288353738} O5 40 1 8 {} {0.616639381145 0.501976072747 0.448729071278} O6 41 1 6 {} {0.545763644597 0.586481202056 0.481996959191} C5 42 1 6 {} {0.586518775656 0.777616356883 0.472478335233} C6 43 1 8 {} {0.629816317214 0.716322847961 0.317227838372} O7 44 1 8 {} {0.681665212612 0.768616287241 0.44340812026} O8 45 1 14 {} {0.627271060911 0.42394182682 0.421120851917} Si8 46 1 7 {} {0.581980879247 0.371893298713 0.439315289895} N4 47 1 14 {} {0.562484379137 0.322512392562 0.350780786784} Si9 48 1 14 {} {0.557315053916 0.36851051699 0.545788946927} Si10 49 1 7 {} {0.592554331451 0.387286212319 0.632383523535} N5 50 1 7 {} {0.597424915819 0.259940557589 0.313343509116} N6 51 1 1 {} {0.632269898714 0.641962626753 0.545277291806} H22 52 1 1 {} {0.670978762526 0.622013713751 0.460144042898} H23 53 1 1 {} {0.60679971897 0.627119379081 0.293499702119} H24 54 1 1 {} {0.541563869412 0.573531534153 0.553600702408} H25 55 1 1 {} {0.530266160272 0.543332624996 0.452361330315} H26 56 1 1 {} {0.52731922816 0.631206348541 0.464701432841} H27 57 1 1 {} {0.585751440003 0.828086030239 0.443061890895} H28 58 1 1 {} {0.588557580956 0.783153027086 0.545419161496} H29 59 1 1 {} {0.554433297529 0.753508563691 0.457313019883} H30 60 1 1 {} {0.637806276977 0.753808655433 0.279323711636} H31 61 1 1 {} {0.682047412318 0.803617092037 0.488048513905} H32 62 1 1 {} {0.638800971929 0.419030324534 0.324303344322} H33 63 1 1 {} {0.666456589927 0.40374783692 0.475912225443} H34 64 1 1 {} {0.520635289757 0.290654670873 0.383566391331} H35 65 1 1 {} {0.55421132098 0.365554258162 0.271232679854} H36 66 1 1 {} {0.520321088223 0.417943159486 0.552855821024} H37 67 1 1 {} {0.540040410478 0.299105710306 0.557503581646} H38 68 1 1 {} {0.59905321603 0.435951878579 0.647714687307} H39 69 1 1 {} {0.619641503612 0.35815671585 0.645975294411} H40 70 1 1 {} {0.622007841213 0.27105091159 0.26915112531} H41 71 1 1 {} {0.606923971888 0.222199895986 0.354574408035} 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