#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 {} {0.217351151354 0.526388692272 0.329231638533} C1 1 1 14 {} {0.271166921544 0.489196108956 0.28794957754} Si1 2 1 14 {} {0.170867553018 0.534797677012 0.249031845585} Si2 3 1 8 {} {0.283632436237 0.519349472094 0.188285034276} O1 4 1 8 {} {0.309337116079 0.512683330816 0.36025229183} O2 5 1 6 {} {0.269793268031 0.395766185007 0.282413464829} C2 6 1 6 {} {0.13951039855 0.455097960504 0.230954700202} C3 7 1 8 {} {0.195351042622 0.562294628032 0.15551327588} O3 8 1 8 {} {0.135123232612 0.595061614291 0.277995035253} O4 9 1 14 {} {0.361002288717 0.538656318845 0.362892308829} Si3 10 1 7 {} {0.393705228035 0.472418080404 0.401218434281} N1 11 1 14 {} {0.445157796216 0.471660306595 0.347617025507} Si4 12 1 14 {} {0.376470007342 0.420376656615 0.487922237317} Si5 13 1 7 {} {0.34804198438 0.458834896676 0.574762592966} N2 14 1 7 {} {0.453669486952 0.556110856709 0.331381489209} N3 15 1 1 {} {0.206266814618 0.498053226537 0.388324093841} H1 16 1 1 {} {0.22595181588 0.577061652396 0.353028050507} H2 17 1 1 {} {0.258843929278 0.542419965862 0.158793116132} H3 18 1 1 {} {0.264466841526 0.372524578478 0.348088568261} H4 19 1 1 {} {0.30147958419 0.376526281669 0.255588700825} H5 20 1 1 {} {0.243027029864 0.378941752192 0.237367374614} H6 21 1 1 {} {0.112973910937 0.461641407383 0.1811953828} H7 22 1 1 {} {0.123893517327 0.438068750411 0.293353612462} H8 23 1 1 {} {0.16143521371 0.414644465814 0.20768240667} H9 24 1 1 {} {0.176616301814 0.584346092984 0.111995822973} H10 25 1 1 {} {0.107043422107 0.58151501969 0.303739711303} H11 26 1 1 {} {0.377028255814 0.558535004483 0.273807361212} H12 27 1 1 {} {0.362507754184 0.59680938184 0.425955285638} H13 28 1 1 {} {0.476183054633 0.435271108167 0.405739787454} H14 29 1 1 {} {0.4483189349 0.43778893079 0.256670055168} H15 30 1 1 {} {0.344940709376 0.369652281156 0.452382003312} H16 31 1 1 {} {0.416525896867 0.387721241669 0.527967114971} H17 32 1 1 {} {0.316410387954 0.475865708906 0.564012687988} H18 33 1 1 {} {0.363521832576 0.490098735614 0.618555444844} H19 34 1 1 {} {0.485617125695 0.565414329139 0.31578770918} H20 35 1 1 {} {0.444204755602 0.584996815459 0.384276362022} H21 36 1 6 {} {0.65127306156 0.641372390564 0.482911171939} C4 37 1 14 {} {0.610660678888 0.577824830378 0.443220495478} Si6 38 1 14 {} {0.642499925918 0.727299139687 0.436663293118} Si7 39 1 8 {} {0.596194284333 0.586812539473 0.338377985519} O5 40 1 8 {} {0.62901693311 0.501331884183 0.459458320568} O6 41 1 6 {} {0.559557163511 0.581299438583 0.511717807688} C5 42 1 6 {} {0.593012759217 0.775813812405 0.481135012101} C6 43 1 8 {} {0.637833492924 0.715313494283 0.326402497026} O7 44 1 8 {} {0.688528395459 0.773299796197 0.450611742294} O8 45 1 14 {} {0.634742751157 0.422335833828 0.430893358086} Si8 46 1 7 {} {0.588226611905 0.371995732718 0.450082703147} N4 47 1 14 {} {0.567973226397 0.322044351006 0.359942738354} Si9 48 1 14 {} {0.563904169463 0.366677551513 0.556549154355} Si10 49 1 7 {} {0.598710757276 0.385794311954 0.642087262115} N5 50 1 7 {} {0.603051467268 0.258807922887 0.322428898908} N6 51 1 1 {} {0.643971636602 0.642984145065 0.554921707324} H22 52 1 1 {} {0.687069521064 0.629256139925 0.474521074513} H23 53 1 1 {} {0.609843597313 0.623804347646 0.306532314779} H24 54 1 1 {} {0.563489632584 0.585595287171 0.584786504789} H25 55 1 1 {} {0.545162561031 0.533010412305 0.494288034268} H26 56 1 1 {} {0.537399515495 0.621517995336 0.488118731659} H27 57 1 1 {} {0.591901887924 0.826546241655 0.452075069931} H28 58 1 1 {} {0.594997355471 0.782042372525 0.554111989125} H29 59 1 1 {} {0.560526437992 0.75245740486 0.46667166005} H30 60 1 1 {} {0.643921069098 0.75273339456 0.286867287712} H31 61 1 1 {} {0.688246725141 0.805571820725 0.499378431716} H32 62 1 1 {} {0.644779122451 0.416896016634 0.334273236923} H33 63 1 1 {} {0.673521685575 0.400356742631 0.485945831258} H34 64 1 1 {} {0.526694005771 0.289522508311 0.393790943129} H35 65 1 1 {} {0.56030761569 0.364571428934 0.281609963041} H36 66 1 1 {} {0.52613586948 0.41636242291 0.565269903724} H37 67 1 1 {} {0.546262382206 0.297589933963 0.567423936417} H38 68 1 1 {} {0.604861513269 0.434848663571 0.658648721402} H39 69 1 1 {} {0.626341778296 0.357292473858 0.656677298547} H40 70 1 1 {} {0.627421989928 0.269753409175 0.277647159991} H41 71 1 1 {} {0.612199356197 0.219977340795 0.362033897308} 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