#MD System 2.0 @Title neb0_image01 @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 {} {0.358088162787 0.54667520426 0.414053811492} C1 1 1 14 {} {0.334868772907 0.520088958256 0.524848419456} Si1 2 1 14 {} {0.419693153746 0.55755168209 0.409680538812} Si2 3 1 8 {} {0.347968316072 0.576786886888 0.600685369636} O1 4 1 8 {} {0.279740701088 0.518262048272 0.517794105688} O2 5 1 6 {} {0.353734372676 0.434876478927 0.55940967209} C2 6 1 6 {} {0.450998423263 0.4773374057 0.394985146298} C3 7 1 8 {} {0.432737907515 0.592429452854 0.508483921889} O3 8 1 8 {} {0.432853336621 0.608857447865 0.326580732553} O4 9 1 14 {} {0.229453130219 0.522812596564 0.55895576664} Si3 10 1 7 {} {0.209715824857 0.444681703441 0.59319364312} N1 11 1 14 {} {0.187283949737 0.436394805651 0.700652613213} Si4 12 1 14 {} {0.210306229716 0.37698678294 0.518139788838} Si5 13 1 7 {} {0.20421667458 0.398354854082 0.407768539731} N2 14 1 7 {} {0.136838050025 0.475472900489 0.720715456558} N3 15 1 1 {} {0.3480992196 0.510953393683 0.361746291951} H1 16 1 1 {} {0.342495829784 0.595014034766 0.397046600711} H2 17 1 1 {} {0.377803951066 0.59520282834 0.591154103179} H3 18 1 1 {} {0.345037468024 0.396248645299 0.510125407934} H4 19 1 1 {} {0.338040413903 0.421025698103 0.623132991077} H5 20 1 1 {} {0.39007898862 0.433610139804 0.569415764392} H6 21 1 1 {} {0.487105059745 0.486868620656 0.391851291588} H7 22 1 1 {} {0.44141657434 0.453013929257 0.33199441357} H8 23 1 1 {} {0.44487431083 0.441731437823 0.449488244514} H9 24 1 1 {} {0.463435358019 0.607145233511 0.514783215355} H10 25 1 1 {} {0.464800182267 0.611815101581 0.315189487154} H11 26 1 1 {} {0.227697680593 0.567000200015 0.639270161549} H12 27 1 1 {} {0.200553118019 0.550934760692 0.487369460944} H13 28 1 1 {} {0.180567269025 0.36333390355 0.714901115091} H14 29 1 1 {} {0.218814380715 0.465603828256 0.766648913696} H15 30 1 1 {} {0.253583241129 0.34049640712 0.523944480607} H16 31 1 1 {} {0.17271108324 0.332332751236 0.54470883628} H17 32 1 1 {} {0.23122702105 0.41285647567 0.371607684232} H18 33 1 1 {} {0.176196512379 0.421593664378 0.385485347292} H19 34 1 1 {} {0.136069601104 0.525078658721 0.735809890262} H20 35 1 1 {} {0.108798294792 0.461698309141 0.687224704265} H21 36 1 6 {} {0.632728911105 0.645984166453 0.348936285749} C4 37 1 14 {} {0.589582798408 0.583498192474 0.386375030724} Si6 38 1 14 {} {0.627056539273 0.734461139999 0.385480435222} Si7 39 1 8 {} {0.539345227525 0.619053560763 0.380866123029} O5 40 1 8 {} {0.59039296232 0.518971184327 0.319272884629} O6 41 1 6 {} {0.600678073659 0.551513319352 0.501240716285} C5 42 1 6 {} {0.645220834331 0.751510061625 0.502632014485} C6 43 1 8 {} {0.5722419072 0.74931261185 0.373887355783} O7 44 1 8 {} {0.654903686285 0.783771042465 0.315606558387} O8 45 1 14 {} {0.584014899255 0.458641112177 0.246293683853} Si8 46 1 7 {} {0.59642125605 0.380469174862 0.289249945624} N4 47 1 14 {} {0.552949145778 0.324325305854 0.312973356821} Si9 48 1 14 {} {0.651121678303 0.35516171773 0.31452292357} Si10 49 1 7 {} {0.692128563805 0.401286732953 0.263497065717} N5 50 1 7 {} {0.528873947816 0.281004137211 0.225853822314} N6 51 1 1 {} {0.66611693549 0.627635771661 0.367708743889} H22 52 1 1 {} {0.631969832722 0.646766566279 0.275292710097} H23 53 1 1 {} {0.541539397147 0.668082778717 0.37597311117} H24 54 1 1 {} {0.632787473208 0.5249393228 0.503947580052} H25 55 1 1 {} {0.574570678862 0.51597034744 0.521570303038} H26 56 1 1 {} {0.601580767635 0.592039592385 0.550832662277} H27 57 1 1 {} {0.639962459117 0.80428961928 0.520817481489} H28 58 1 1 {} {0.680815393862 0.740116458576 0.512014480006} H29 59 1 1 {} {0.626239364865 0.72095870235 0.550393072866} H30 60 1 1 {} {0.561794168129 0.79514391612 0.371035036639} H31 61 1 1 {} {0.672750761218 0.819520512476 0.340699744078} H32 62 1 1 {} {0.5363305376 0.456665924702 0.217590152354} H33 63 1 1 {} {0.613198610385 0.474653323478 0.168792631974} H34 64 1 1 {} {0.572829269064 0.273468116647 0.37399688602} H35 65 1 1 {} {0.516123031314 0.36212740156 0.356056242149} H36 66 1 1 {} {0.660332969119 0.361235455672 0.412099156448} H37 67 1 1 {} {0.654828686654 0.283725231966 0.286485431251} H38 68 1 1 {} {0.705329453874 0.442164401299 0.293756403617} H39 69 1 1 {} {0.695083403804 0.404318737519 0.196069300993} H40 70 1 1 {} {0.50678599587 0.304391446541 0.184911791873} H41 71 1 1 {} {0.546390134411 0.245631939421 0.191974582836} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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