#MD System 2.0 @Title neb0_image05 @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 {} {0.213412327216 0.527101864761 0.323209499155} C1 1 1 14 {} {0.266869307925 0.489781717801 0.281150439724} Si1 2 1 14 {} {0.166632557785 0.535655193499 0.242245394118} Si2 3 1 8 {} {0.279883716262 0.522613665175 0.183363287012} O1 4 1 8 {} {0.306106373154 0.510832248035 0.352843839674} O2 5 1 6 {} {0.265305105328 0.396717824329 0.274632994269} C2 6 1 6 {} {0.135095639904 0.455896262521 0.224432511324} C3 7 1 8 {} {0.191014053472 0.561918520803 0.147812056908} O3 8 1 8 {} {0.131098838083 0.596406665486 0.269665701932} O4 9 1 14 {} {0.3579474847 0.539077564228 0.357352202585} Si3 10 1 7 {} {0.392306773488 0.475594375288 0.398080920938} N1 11 1 14 {} {0.446029068244 0.473080862893 0.354492677435} Si4 12 1 14 {} {0.372671446259 0.421922262087 0.482953125157} Si5 13 1 7 {} {0.344025034148 0.460423171528 0.566981071765} N2 14 1 7 {} {0.46653307424 0.554755786598 0.355988932732} N3 15 1 1 {} {0.201764837881 0.498584914523 0.38177245797} H1 16 1 1 {} {0.22135645589 0.578106131196 0.346908797494} H2 17 1 1 {} {0.254492672617 0.543193439532 0.152588662481} H3 18 1 1 {} {0.260145708026 0.373875376938 0.340427872254} H4 19 1 1 {} {0.2970231856 0.37775978727 0.248030018122} H5 20 1 1 {} {0.238589859165 0.379822591965 0.229917708436} H6 21 1 1 {} {0.108551089468 0.462123779656 0.174242485984} H7 22 1 1 {} {0.119552661172 0.438261959226 0.286853338288} H8 23 1 1 {} {0.15758914016 0.416006263574 0.200851943667} H9 24 1 1 {} {0.172557589459 0.584715193482 0.104973270478} H10 25 1 1 {} {0.102947729574 0.583866248849 0.295705830167} H11 26 1 1 {} {0.374106417012 0.559662655562 0.266602860876} H12 27 1 1 {} {0.357847204445 0.597783090005 0.4185615231} H13 28 1 1 {} {0.472901075849 0.424140511538 0.409738760012} H14 29 1 1 {} {0.448264286706 0.453905088321 0.259806562611} H15 30 1 1 {} {0.341451359818 0.372435233426 0.442380747739} H16 31 1 1 {} {0.412505157837 0.388393156291 0.520433641289} H17 32 1 1 {} {0.31216523849 0.476266841024 0.556087693457} H18 33 1 1 {} {0.360176194159 0.490199390844 0.610903589846} H19 34 1 1 {} {0.49194165567 0.570818985905 0.314158299588} H20 35 1 1 {} {0.468436473055 0.579378086145 0.414638148354} H21 36 1 6 {} {0.648497753679 0.640329821328 0.489632042649} C4 37 1 14 {} {0.609084213823 0.574951248253 0.44378785086} Si6 38 1 14 {} {0.644882115989 0.726276564513 0.443918697071} Si7 39 1 8 {} {0.603897856026 0.583373024737 0.333741773937} O5 40 1 8 {} {0.62875208919 0.499878963089 0.465973578446} O6 41 1 6 {} {0.552873945323 0.580955870117 0.49718230101} C5 42 1 6 {} {0.597215041437 0.775555853781 0.489206951727} C6 43 1 8 {} {0.640648616688 0.71444136015 0.334081079331} O7 44 1 8 {} {0.692021419489 0.767947798155 0.458927507036} O8 45 1 14 {} {0.638095896281 0.421863167749 0.438609281223} Si8 46 1 7 {} {0.592235577807 0.36992869437 0.454764422048} N4 47 1 14 {} {0.573471790311 0.320954674428 0.369181092015} Si9 48 1 14 {} {0.567024318396 0.367067993797 0.56162670364} Si10 49 1 7 {} {0.603953442783 0.386153131787 0.650609084521} N5 50 1 7 {} {0.607003061027 0.258570438883 0.330373794944} N6 51 1 1 {} {0.644735676742 0.641231823596 0.562777317746} H22 52 1 1 {} {0.682368411949 0.62149537065 0.477209468081} H23 53 1 1 {} {0.616609322259 0.625650762491 0.311009632315} H24 54 1 1 {} {0.554190069152 0.573384958827 0.569211141222} H25 55 1 1 {} {0.531792566487 0.541411297934 0.470282225343} H26 56 1 1 {} {0.536529437888 0.629311900846 0.483308968852} H27 57 1 1 {} {0.596391259291 0.825744880486 0.459600610512} H28 58 1 1 {} {0.599129330835 0.78124235293 0.562044377274} H29 59 1 1 {} {0.565311323707 0.751321614426 0.473889736561} H30 60 1 1 {} {0.648146879233 0.751974467991 0.295949883712} H31 61 1 1 {} {0.69268292328 0.8027329065 0.505046739226} H32 62 1 1 {} {0.649362259098 0.41695181195 0.340588734171} H33 63 1 1 {} {0.67703886232 0.400837049872 0.492498372843} H34 64 1 1 {} {0.531037789597 0.289245447602 0.400422795649} H35 65 1 1 {} {0.564428960028 0.363992047696 0.287761676604} H36 66 1 1 {} {0.530459051954 0.415668740984 0.569154009311} H37 67 1 1 {} {0.550699480406 0.296840832956 0.574155624473} H38 68 1 1 {} {0.609180261656 0.432403682717 0.664219780152} H39 69 1 1 {} {0.62940866769 0.357317682859 0.662475356168} H40 70 1 1 {} {0.632428936166 0.26936973132 0.284782067729} H41 71 1 1 {} {0.616792430813 0.219848260082 0.371014619017} 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