#MD System 2.0 @Title neb0_image06 @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 {} {0.215497082911 0.526800926605 0.326678288928} C1 1 1 14 {} {0.269439716277 0.489827941506 0.284903804463} Si1 2 1 14 {} {0.168802417783 0.535265169081 0.245688621399} Si2 3 1 8 {} {0.282028185265 0.522911435504 0.187080441478} O1 4 1 8 {} {0.30942335508 0.510147910736 0.355810356791} O2 5 1 6 {} {0.267477877268 0.396639495342 0.277868020078} C2 6 1 6 {} {0.137256516394 0.455564652125 0.227947275882} C3 7 1 8 {} {0.193316896912 0.561169290288 0.15146194176} O3 8 1 8 {} {0.133457351342 0.596364984292 0.272638314292} O4 9 1 14 {} {0.360912812802 0.539027691004 0.36094241577} Si3 10 1 7 {} {0.395522013946 0.476057672768 0.402678691177} N1 11 1 14 {} {0.449573341807 0.474158964161 0.361007303669} Si4 12 1 14 {} {0.375214892458 0.421940448574 0.485525211045} Si5 13 1 7 {} {0.346110817888 0.459707339176 0.570814255381} N2 14 1 7 {} {0.470569052058 0.554498387974 0.365665005815} N3 15 1 1 {} {0.20389224832 0.498191430282 0.385165792575} H1 16 1 1 {} {0.22334291444 0.577629104916 0.350866546616} H2 17 1 1 {} {0.256499757181 0.543025233434 0.156332938376} H3 18 1 1 {} {0.262316768317 0.373654300354 0.343704363212} H4 19 1 1 {} {0.299192648729 0.377604640373 0.251102326053} H5 20 1 1 {} {0.240697660256 0.379534872459 0.233180176568} H6 21 1 1 {} {0.110740660365 0.461768783703 0.177896216124} H7 22 1 1 {} {0.121728670276 0.43782981967 0.290146675906} H8 23 1 1 {} {0.159672491907 0.415772474279 0.204338756522} H9 24 1 1 {} {0.174811539546 0.584217414321 0.108222617825} H10 25 1 1 {} {0.105070067412 0.584059510045 0.29871614744} H11 26 1 1 {} {0.377269940169 0.558995481733 0.271095381015} H12 27 1 1 {} {0.35976763906 0.597846896574 0.421992157893} H13 28 1 1 {} {0.474091904286 0.422429589213 0.41416534864} H14 29 1 1 {} {0.452196923907 0.457009130022 0.264667600685} H15 30 1 1 {} {0.343789579011 0.372763990684 0.445107399635} H16 31 1 1 {} {0.414724577247 0.387668232705 0.524615698789} H17 32 1 1 {} {0.314513346375 0.476197266204 0.559820931946} H18 33 1 1 {} {0.362125040537 0.490101236911 0.6147595295} H19 34 1 1 {} {0.494657726754 0.569057912304 0.321993044626} H20 35 1 1 {} {0.476379146974 0.576545926249 0.425621860411} H21 36 1 6 {} {0.644800283369 0.639068972944 0.485943604132} C4 37 1 14 {} {0.605553465054 0.57530449677 0.438353361017} Si6 38 1 14 {} {0.642342732077 0.725647940023 0.441102415399} Si7 39 1 8 {} {0.602754369098 0.583508390317 0.328575484595} O5 40 1 8 {} {0.624945495405 0.500427867124 0.462323359716} O6 41 1 6 {} {0.549090263603 0.581774830201 0.48867463665} C5 42 1 6 {} {0.594756705684 0.776125133714 0.485834822743} C6 43 1 8 {} {0.638079879708 0.714870288103 0.33061597443} O7 44 1 8 {} {0.68992005247 0.767037736287 0.456812521277} O8 45 1 14 {} {0.635504886737 0.422537592234 0.43446113791} Si8 46 1 7 {} {0.590203485918 0.370370480816 0.452621327007} N4 47 1 14 {} {0.570694936143 0.321059716291 0.364076809328} Si9 48 1 14 {} {0.565410376518 0.367078677765 0.558873942619} Si10 49 1 7 {} {0.600747681598 0.385817492639 0.645824767951} N5 50 1 7 {} {0.605643954923 0.25842470067 0.326690366567} N6 51 1 1 {} {0.640557660216 0.640548896691 0.558996099836} H22 52 1 1 {} {0.678821193437 0.620288786016 0.473529303055} H23 53 1 1 {} {0.615212016735 0.625786551564 0.306636041859} H24 54 1 1 {} {0.548596917536 0.571568360183 0.560530603616} H25 55 1 1 {} {0.52793642532 0.543945968546 0.456990139237} H26 56 1 1 {} {0.533966720003 0.631080788935 0.476603282565} H27 57 1 1 {} {0.593992058887 0.82656023444 0.456445400407} H28 58 1 1 {} {0.596808093533 0.781645295174 0.558784558519} H29 59 1 1 {} {0.562681799963 0.751980721209 0.470658406138} H30 60 1 1 {} {0.646063175794 0.752302855936 0.292685929135} H31 61 1 1 {} {0.69029790168 0.802082879767 0.501416145031} H32 62 1 1 {} {0.647052887998 0.417529014584 0.337690075728} H33 63 1 1 {} {0.674699853921 0.402236860445 0.489258027261} H34 64 1 1 {} {0.528879586172 0.289196913793 0.396956186602} H35 65 1 1 {} {0.562466186302 0.364029262339 0.284557309098} H36 66 1 1 {} {0.528310618703 0.416500401731 0.565499749059} H37 67 1 1 {} {0.548305490336 0.297610541353 0.57086380887} H38 68 1 1 {} {0.607288875984 0.434412110566 0.661032859775} H39 69 1 1 {} {0.627763081617 0.356713040031 0.659191746624} H40 70 1 1 {} {0.630261085789 0.269548269036 0.282509856213} H41 71 1 1 {} {0.615184085453 0.220695334546 0.367966596005} 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