#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 {} {0.207671831993 0.528221316694 0.314025584194} C1 1 1 14 {} {0.261612972476 0.491256209362 0.27217490336} Si1 2 1 14 {} {0.160965687272 0.536746505289 0.233055899633} Si2 3 1 8 {} {0.274236860835 0.52447019029 0.174435608526} O1 4 1 8 {} {0.301556773634 0.511523519437 0.343194338243} O2 5 1 6 {} {0.259637482064 0.398057992846 0.265165099838} C2 6 1 6 {} {0.129439105205 0.457018807713 0.215274658317} C3 7 1 8 {} {0.185469271747 0.562539304437 0.138751846385} O3 8 1 8 {} {0.125620445773 0.597914833671 0.259884307867} O4 9 1 14 {} {0.353056134639 0.540433588954 0.348241271035} Si3 10 1 7 {} {0.387802235693 0.477526623209 0.38987667824} N1 11 1 14 {} {0.442250787596 0.476002099664 0.349044284194} Si4 12 1 14 {} {0.367416481382 0.423340064658 0.472676005047} Si5 13 1 7 {} {0.3383033316 0.461173960475 0.558082398839} N2 14 1 7 {} {0.464222772948 0.555736429022 0.355230333473} N3 15 1 1 {} {0.196053113754 0.499628714644 0.372533144374} H1 16 1 1 {} {0.215485467511 0.579060171649 0.338228131513} H2 17 1 1 {} {0.248654108934 0.544456277538 0.143694454817} H3 18 1 1 {} {0.254481763453 0.37512456373 0.331053320971} H4 19 1 1 {} {0.291363330202 0.379086307388 0.238367258874} H5 20 1 1 {} {0.232861381787 0.380962068402 0.220452156547} H6 21 1 1 {} {0.10291677044 0.463179713777 0.165226257883} H7 22 1 1 {} {0.113906236429 0.439253646743 0.277445347271} H8 23 1 1 {} {0.151846755493 0.417220219225 0.191648382621} H9 24 1 1 {} {0.166991725302 0.585651212836 0.0955107612515} H10 25 1 1 {} {0.0972433905756 0.585537013893 0.285992668376} H11 26 1 1 {} {0.369454702752 0.560422238401 0.258306638251} H12 27 1 1 {} {0.351924865721 0.599319709815 0.409332402432} H13 28 1 1 {} {0.466260794626 0.423572718778 0.40166045056} H14 29 1 1 {} {0.44435076588 0.458676547264 0.252225432428} H15 30 1 1 {} {0.335931069417 0.374170495564 0.432417595121} H16 31 1 1 {} {0.406883727205 0.389105808663 0.511993523033} H17 32 1 1 {} {0.306680254016 0.477633653973 0.547148938391} H18 33 1 1 {} {0.354327461789 0.49153821028 0.602115234044} H19 34 1 1 {} {0.487081162639 0.570650272886 0.309168532561} H20 35 1 1 {} {0.470039326721 0.577859898041 0.415192735679} H21 36 1 6 {} {0.65252497872 0.637582951265 0.49868036516} C4 37 1 14 {} {0.613032606437 0.573741768847 0.45074513148} Si6 38 1 14 {} {0.650156956189 0.724218724274 0.45381174065} Si7 39 1 8 {} {0.61076678272 0.582020790758 0.341098697183} O5 40 1 8 {} {0.632717843519 0.498982651502 0.475015783854} O6 41 1 6 {} {0.555932460171 0.579886480031 0.499772746045} C5 42 1 6 {} {0.602582447482 0.77467001539 0.498527202094} C6 43 1 8 {} {0.645836681335 0.713486902926 0.343360920986} O7 44 1 8 {} {0.697803929531 0.765575862745 0.469488820516} O8 45 1 14 {} {0.643344961659 0.421125356439 0.44712501971} Si8 46 1 7 {} {0.59800863167 0.368928803348 0.465239752853} N4 47 1 14 {} {0.57845199915 0.319734104483 0.3767327296} Si9 48 1 14 {} {0.573355348439 0.365637713462 0.571766939837} Si10 49 1 7 {} {0.608548643718 0.384387410723 0.658695242895} N5 50 1 7 {} {0.613503273106 0.257037411816 0.339471930192} N6 51 1 1 {} {0.648385301704 0.639122880262 0.571755677099} H22 52 1 1 {} {0.686585708953 0.618757531638 0.486219884979} H23 53 1 1 {} {0.623066015908 0.624383120718 0.319296195181} H24 54 1 1 {} {0.55611320136 0.569911154433 0.571919716782} H25 55 1 1 {} {0.533851722282 0.54294072146 0.467996294066} H26 56 1 1 {} {0.541511674449 0.629860242473 0.488956164275} H27 57 1 1 {} {0.601836572759 0.825109072282 0.469155397185} H28 58 1 1 {} {0.604647239665 0.780194779981 0.571457800766} H29 59 1 1 {} {0.570520788362 0.750502488417 0.483326615656} H30 60 1 1 {} {0.653888584754 0.750861710559 0.305407793158} H31 61 1 1 {} {0.698132825844 0.800626127975 0.514105053739} H32 62 1 1 {} {0.654890970713 0.41605886425 0.350393903682} H33 63 1 1 {} {0.682521918882 0.400739219572 0.50190891732} H34 64 1 1 {} {0.536682612275 0.287697573917 0.409623678213} H35 65 1 1 {} {0.57029616545 0.362582860795 0.297155879522} H36 66 1 1 {} {0.536166326962 0.415027934909 0.577925467967} H37 67 1 1 {} {0.556132549348 0.296236140362 0.583452104888} H38 68 1 1 {} {0.615134761368 0.432978794106 0.673658659946} H39 69 1 1 {} {0.63556238829 0.355278540855 0.671785076673} H40 70 1 1 {} {0.638123060518 0.26808647208 0.295225034982} H41 71 1 1 {} {0.623059574458 0.219258863141 0.380723204491} 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