#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 {} {0.207696258473 0.528241913926 0.314020838817} C1 1 1 14 {} {0.261604787533 0.491241461949 0.272271217876} Si1 2 1 14 {} {0.16101127311 0.536698019678 0.233014301038} Si2 3 1 8 {} {0.274151505145 0.52418798764 0.174382057628} O1 4 1 8 {} {0.301664536984 0.511511771892 0.343088164487} O2 5 1 6 {} {0.259637557738 0.398076970534 0.265246307611} C2 6 1 6 {} {0.12944435733 0.457014727414 0.215290007282} C3 7 1 8 {} {0.185539319856 0.562546893685 0.138750698786} O3 8 1 8 {} {0.125700264856 0.597833206218 0.2600837056} O4 9 1 14 {} {0.353096532424 0.540461065069 0.348369196311} Si3 10 1 7 {} {0.387812424154 0.477553440817 0.389989976223} N1 11 1 14 {} {0.442157455981 0.475837913525 0.348846156758} Si4 12 1 14 {} {0.367453183675 0.4233282913 0.472718520139} Si5 13 1 7 {} {0.338303099414 0.461109531938 0.558138044819} N2 14 1 7 {} {0.463949687361 0.555652406427 0.354742414633} N3 15 1 1 {} {0.196085341463 0.499617923736 0.372492606334} H1 16 1 1 {} {0.215562508029 0.579080371054 0.338151679726} H2 17 1 1 {} {0.24869845732 0.544484017219 0.143608896083} H3 18 1 1 {} {0.254483391318 0.375031135943 0.331030303622} H4 19 1 1 {} {0.291347011557 0.379005537904 0.238503848656} H5 20 1 1 {} {0.232866792514 0.380978165374 0.220540259882} H6 21 1 1 {} {0.102934640853 0.463249185382 0.165228019055} H7 22 1 1 {} {0.11390003974 0.439298907082 0.277485517255} H8 23 1 1 {} {0.151847048135 0.41720023364 0.191692194202} H9 24 1 1 {} {0.16699488714 0.585652193935 0.0956224223319} H10 25 1 1 {} {0.0972930502451 0.58548333282 0.286058131043} H11 26 1 1 {} {0.369480926879 0.560459110666 0.258552887837} H12 27 1 1 {} {0.351950660693 0.599318088724 0.409396802396} H13 28 1 1 {} {0.466262732062 0.423641373458 0.401538490384} H14 29 1 1 {} {0.44434531345 0.458534200874 0.252132912823} H15 30 1 1 {} {0.335987192652 0.374192465037 0.432422947874} H16 31 1 1 {} {0.406920200009 0.389067015138 0.511961326581} H17 32 1 1 {} {0.306689796104 0.477622454709 0.547166555793} H18 33 1 1 {} {0.354277876137 0.491556880044 0.602082309583} H19 34 1 1 {} {0.487091576036 0.570575294187 0.309277882974} H20 35 1 1 {} {0.469761689423 0.57789144948 0.414629744552} H21 36 1 6 {} {0.652537668272 0.637639551366 0.498618957805} C4 37 1 14 {} {0.613103652256 0.573784859584 0.450769748489} Si6 38 1 14 {} {0.650159250328 0.72423504573 0.453745327146} Si7 39 1 8 {} {0.610580968085 0.582094291276 0.341092965202} O5 40 1 8 {} {0.632822547301 0.499089990933 0.475009906341} O6 41 1 6 {} {0.556118837024 0.579944457879 0.500231619316} C5 42 1 6 {} {0.602580016216 0.774708625734 0.498507912158} C6 43 1 8 {} {0.646009361862 0.713446255311 0.343258768187} O7 44 1 8 {} {0.697772010882 0.765636042556 0.469436173256} O8 45 1 14 {} {0.643355808351 0.421182054043 0.447230138547} Si8 46 1 7 {} {0.597995852903 0.368888094644 0.465085137069} N4 47 1 14 {} {0.578428425733 0.319806978355 0.376795475796} Si9 48 1 14 {} {0.573336425656 0.365628189742 0.571914136826} Si10 49 1 7 {} {0.608454923088 0.384370355058 0.658493951845} N5 50 1 7 {} {0.613425177334 0.256987155171 0.339323038209} N6 51 1 1 {} {0.648391653866 0.63912698151 0.571699466964} H22 52 1 1 {} {0.686604718928 0.618900721524 0.486159047859} H23 53 1 1 {} {0.62302442279 0.624370381653 0.319216819833} H24 54 1 1 {} {0.556129067902 0.570053475426 0.57238835252} H25 55 1 1 {} {0.534270085845 0.542788945556 0.468358195368} H26 56 1 1 {} {0.541554597488 0.62979227252 0.489063865537} H27 57 1 1 {} {0.601798026281 0.825123956202 0.469079718427} H28 58 1 1 {} {0.604608679306 0.780242748314 0.571459125203} H29 59 1 1 {} {0.5705067638 0.750574415636 0.483328296317} H30 60 1 1 {} {0.653884863542 0.75088753653 0.305273908553} H31 61 1 1 {} {0.698103664567 0.800687514784 0.514073840069} H32 62 1 1 {} {0.654846950026 0.41609801034 0.350384222045} H33 63 1 1 {} {0.682518017084 0.400791257473 0.501936994917} H34 64 1 1 {} {0.536648518105 0.287785199012 0.409578843825} H35 65 1 1 {} {0.570253038858 0.362585747417 0.29718997753} H36 66 1 1 {} {0.536074098024 0.414998611004 0.578052291747} H37 67 1 1 {} {0.556144873867 0.296118033316 0.583463771405} H38 68 1 1 {} {0.615094571828 0.432995413561 0.673582437636} H39 69 1 1 {} {0.635569774288 0.355330102639 0.67184243828} H40 70 1 1 {} {0.638023335148 0.268125824988 0.295087191917} H41 71 1 1 {} {0.622943841963 0.219248884814 0.380548703775} 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