#MD System 2.0 @Title neb0_image04 @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 {} {0.217120502842 0.528559373401 0.321614446972} C1 1 1 14 {} {0.267873193297 0.485232137392 0.284222767286} Si1 2 1 14 {} {0.171690988686 0.533758569714 0.243584304817} Si2 3 1 8 {} {0.275109719738 0.493057387872 0.170052089996} O1 4 1 8 {} {0.307719032991 0.516591178559 0.349009580667} O2 5 1 6 {} {0.267110322796 0.392988465389 0.284485069001} C2 6 1 6 {} {0.137970671487 0.455735587358 0.230812922465} C3 7 1 8 {} {0.193310805186 0.564144538351 0.150763747333} O3 8 1 8 {} {0.136748611212 0.586637609225 0.290071577654} O4 9 1 14 {} {0.358687814886 0.544750397611 0.365976386636} Si3 10 1 7 {} {0.386787911709 0.475116387502 0.404708004692} N1 11 1 14 {} {0.426857272247 0.458610799746 0.312865406801} Si4 12 1 14 {} {0.374756687453 0.419752504518 0.490819178376} Si5 13 1 7 {} {0.342375875662 0.454719683464 0.575070782392} N2 14 1 7 {} {0.403232633517 0.569557555028 0.246338756826} N3 15 1 1 {} {0.205603206423 0.499834234982 0.379306630219} H1 16 1 1 {} {0.228839469094 0.578889885092 0.342252983341} H2 17 1 1 {} {0.257113720031 0.542618499853 0.147738126316} H3 18 1 1 {} {0.260290575662 0.363960112373 0.344439665188} H4 19 1 1 {} {0.297723187835 0.369403890254 0.259817652917} H5 20 1 1 {} {0.240453916981 0.38034665948 0.237574825733} H6 21 1 1 {} {0.112176004013 0.467284499158 0.179950630038} H7 22 1 1 {} {0.120734701382 0.442532901599 0.294584861289} H8 23 1 1 {} {0.157594626305 0.412135131813 0.208332411271} H9 24 1 1 {} {0.171443313375 0.588595923732 0.110467521956} H10 25 1 1 {} {0.105564412511 0.57171659886 0.308221650801} H11 26 1 1 {} {0.376814810252 0.562969977255 0.283838528531} H12 27 1 1 {} {0.359792887948 0.598603991044 0.427935527257} H13 28 1 1 {} {0.473544284809 0.443693843183 0.392744998534} H14 29 1 1 {} {0.441743140592 0.415811228531 0.236202511702} H15 30 1 1 {} {0.345061376109 0.369979872574 0.445501722888} H16 31 1 1 {} {0.417424255615 0.385615198399 0.519644167695} H17 32 1 1 {} {0.312730844439 0.472995415625 0.558134461781} H18 33 1 1 {} {0.356742633924 0.49231286549 0.614398678508} H19 34 1 1 {} {0.484358639375 0.541373149654 0.30404121937} H20 35 1 1 {} {0.389898561067 0.588516936982 0.312352198272} H21 36 1 6 {} {0.662020603571 0.649586167531 0.482635915576} C4 37 1 14 {} {0.626324911369 0.586213446148 0.465536439281} Si6 38 1 14 {} {0.644881321456 0.730946374302 0.43328769038} Si7 39 1 8 {} {0.578719629401 0.594822466023 0.356956118065} O5 40 1 8 {} {0.642130634273 0.505802857599 0.467735688082} O6 41 1 6 {} {0.592552105364 0.592477413468 0.582507071881} C5 42 1 6 {} {0.594452536658 0.780022400091 0.479429407339} C6 43 1 8 {} {0.65104174781 0.711207113274 0.322797098414} O7 44 1 8 {} {0.68784567946 0.782857029118 0.450870926271} O8 45 1 14 {} {0.638628495452 0.423028740617 0.44142435978} Si8 46 1 7 {} {0.588938825927 0.37653089915 0.456142272365} N4 47 1 14 {} {0.570438445371 0.324486736516 0.361228160275} Si9 48 1 14 {} {0.564019533055 0.36460642191 0.558906053961} Si10 49 1 7 {} {0.59993828264 0.384543257726 0.646730668932} N5 50 1 7 {} {0.602049063643 0.261100676105 0.316867337748} N6 51 1 1 {} {0.647741954043 0.642571862751 0.552856668003} H22 52 1 1 {} {0.697221064133 0.6411846007 0.472754111417} H23 53 1 1 {} {0.607381395463 0.617138090125 0.30862824714} H24 54 1 1 {} {0.57842976644 0.603589815852 0.659203008781} H25 55 1 1 {} {0.612403730784 0.505671977474 0.553363925321} H26 56 1 1 {} {0.551764983207 0.614470056325 0.51122370831} H27 57 1 1 {} {0.592973398943 0.831356162877 0.449805333173} H28 58 1 1 {} {0.596645579469 0.786317646807 0.553725761553} H29 59 1 1 {} {0.560403369445 0.759376573445 0.46963010328} H30 60 1 1 {} {0.647195518625 0.752363595933 0.283255482852} H31 61 1 1 {} {0.689765930067 0.808241720834 0.501549818173} H32 62 1 1 {} {0.647196361625 0.421697288803 0.342293448184} H33 63 1 1 {} {0.67831053658 0.402566788132 0.497880939607} H34 64 1 1 {} {0.528559076805 0.295258552234 0.391516011916} H35 65 1 1 {} {0.560398492421 0.366643933356 0.280617663734} H36 66 1 1 {} {0.52398347919 0.408613799733 0.578136784506} H37 67 1 1 {} {0.552389301515 0.289823903221 0.568447848713} H38 68 1 1 {} {0.606000644582 0.438007169106 0.655098350063} H39 69 1 1 {} {0.62961483071 0.359805685646 0.664251748412} H40 70 1 1 {} {0.624696239293 0.269544865419 0.271622877212} H41 71 1 1 {} {0.607618360037 0.216422795555 0.353015513576} 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