#MD System 2.0 @Title neb0_image07 @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 {} {0.218508816464 0.526280261503 0.33150779162} C1 1 1 14 {} {0.272371653591 0.489222324541 0.289607401995} Si1 2 1 14 {} {0.171833434271 0.534781495647 0.250626816789} Si2 3 1 8 {} {0.284988176754 0.522062759738 0.191652088228} O1 4 1 8 {} {0.312070828142 0.50993457039 0.360744353702} O2 5 1 6 {} {0.270488483774 0.396026763537 0.282851178098} C2 6 1 6 {} {0.140297095507 0.455046779271 0.232817992457} C3 7 1 8 {} {0.196278193724 0.560844654668 0.156371362194} O3 8 1 8 {} {0.136421937172 0.595789211824 0.277768119434} O4 9 1 14 {} {0.363596784453 0.538607155556 0.365503919244} Si3 10 1 7 {} {0.397728695793 0.474706677449 0.406931886626} N1 11 1 14 {} {0.451364978081 0.473490299813 0.362344420553} Si4 12 1 14 {} {0.377931201128 0.420784531323 0.490772201802} Si5 13 1 7 {} {0.348960416564 0.459060240478 0.576220301152} N2 14 1 7 {} {0.468499956415 0.556062572151 0.361907856306} N3 15 1 1 {} {0.206904036233 0.497675783674 0.389998109708} H1 16 1 1 {} {0.226403303345 0.577100435683 0.355668075966} H2 17 1 1 {} {0.259521928135 0.542473733166 0.161073894002} H3 18 1 1 {} {0.265310506657 0.372998309055 0.348662805071} H4 19 1 1 {} {0.302207819594 0.377020410754 0.256053995285} H5 20 1 1 {} {0.243716691679 0.379031986016 0.238084450968} H6 21 1 1 {} {0.113773415228 0.461254303722 0.182782192826} H7 22 1 1 {} {0.124751005943 0.437366629712 0.295031033358} H8 23 1 1 {} {0.162673887253 0.415179238101 0.20926254978} H9 24 1 1 {} {0.177746877472 0.583748390251 0.11306919119} H10 25 1 1 {} {0.108052090622 0.583303090205 0.303750823196} H11 26 1 1 {} {0.380087127893 0.558347498156 0.275662993572} H12 27 1 1 {} {0.362880499874 0.597374251738 0.427050516898} H13 28 1 1 {} {0.477045786707 0.423714369367 0.41754710738} H14 29 1 1 {} {0.454465729334 0.452922175674 0.266061509838} H15 30 1 1 {} {0.346579012943 0.371695106581 0.450224213101} H16 31 1 1 {} {0.417793254322 0.387078532901 0.529479016772} H17 32 1 1 {} {0.317397221748 0.475708428491 0.56473486662} H18 33 1 1 {} {0.365068267603 0.489691218362 0.619862369298} H19 34 1 1 {} {0.495664634735 0.566788338191 0.323428664775} H20 35 1 1 {} {0.471223001425 0.577444218668 0.423464798589} H21 36 1 6 {} {0.643759052592 0.64057818142 0.481133967376} C4 37 1 14 {} {0.604440876669 0.576751570792 0.435746404249} Si6 38 1 14 {} {0.63958923092 0.726737682881 0.435963346292} Si7 39 1 8 {} {0.598959975814 0.584561023431 0.326092556005} O5 40 1 8 {} {0.622733298602 0.500862740144 0.457346918343} O6 41 1 6 {} {0.548867067813 0.582658660027 0.490043267372} C5 42 1 6 {} {0.591763222709 0.776608272781 0.480982452047} C6 43 1 8 {} {0.635013201498 0.715399675649 0.325671706216} O7 44 1 8 {} {0.687066922698 0.7681131945 0.451616488444} O8 45 1 14 {} {0.632653982074 0.4227440089 0.429576183128} Si8 46 1 7 {} {0.587177588821 0.370954247275 0.447942564025} N4 47 1 14 {} {0.567610609713 0.32159210929 0.359089561503} Si9 48 1 14 {} {0.562502287899 0.367505110265 0.554260625614} Si10 49 1 7 {} {0.597967609735 0.386331320159 0.640823243939} N5 50 1 7 {} {0.602526722259 0.25879778596 0.321529880609} N6 51 1 1 {} {0.637894737468 0.641040044949 0.553746870955} H22 52 1 1 {} {0.677796472978 0.621866410804 0.469024802572} H23 53 1 1 {} {0.611702871079 0.625966259276 0.301996281428} H24 54 1 1 {} {0.548777014835 0.574896646058 0.562886924505} H25 55 1 1 {} {0.530620166578 0.541237293369 0.45832069297} H26 56 1 1 {} {0.532296736263 0.630607364874 0.474290198828} H27 57 1 1 {} {0.591032961744 0.827027651955 0.451548865074} H28 58 1 1 {} {0.593809605643 0.782235486971 0.553901884566} H29 59 1 1 {} {0.559651119368 0.752581653436 0.46580918957} H30 60 1 1 {} {0.643005381995 0.752764619523 0.287652514991} H31 61 1 1 {} {0.68730040402 0.802875405955 0.496563427611} H32 62 1 1 {} {0.644033927001 0.418079462881 0.33282678103} H33 63 1 1 {} {0.671834431657 0.402718474427 0.48455333789} H34 64 1 1 {} {0.525906008592 0.28968858792 0.392165755064} H35 65 1 1 {} {0.559477786156 0.364622825247 0.279682924776} H36 66 1 1 {} {0.525473458047 0.416956882597 0.561417782348} H37 67 1 1 {} {0.545320878089 0.298109528418 0.565990410357} H38 68 1 1 {} {0.604213241719 0.435008628947 0.656266343235} H39 69 1 1 {} {0.62491107141 0.357134642895 0.654461130703} H40 70 1 1 {} {0.627228037033 0.270006962353 0.277530737534} H41 71 1 1 {} {0.612153138156 0.221065787542 0.362771219799} 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