#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 {} {0.210273432512 0.527773644992 0.318230050581} C1 1 1 14 {} {0.264185080094 0.490773388724 0.276457728941} Si1 2 1 14 {} {0.163595432681 0.536265595342 0.237219003804} Si2 3 1 8 {} {0.276772482836 0.523791133961 0.178610409909} O1 4 1 8 {} {0.304197810866 0.511061654383 0.347349420743} O2 5 1 6 {} {0.262246439461 0.397619782002 0.269401664789} C2 6 1 6 {} {0.132046855118 0.456550227136 0.219531284845} C3 7 1 8 {} {0.188096414989 0.562078068624 0.142958882647} O3 8 1 8 {} {0.128259707336 0.597322638812 0.264224922648} O4 9 1 14 {} {0.355665788778 0.540039536002 0.352526770016} Si3 10 1 7 {} {0.390390512015 0.477092872113 0.394153745287} N1 11 1 14 {} {0.444608246386 0.475344516956 0.352967685908} Si4 12 1 14 {} {0.370035141568 0.422862174591 0.47695650665} Si5 13 1 7 {} {0.340898146285 0.460659064866 0.562294528063} N2 14 1 7 {} {0.466329559255 0.555167525356 0.358679546489} N3 15 1 1 {} {0.198679698228 0.499143525361 0.376686576435} H1 16 1 1 {} {0.218137520643 0.578590933744 0.342396213252} H2 17 1 1 {} {0.251277934463 0.543994451331 0.14785031873} H3 18 1 1 {} {0.257092541422 0.374595795751 0.335203631537} H4 19 1 1 {} {0.293957723395 0.378538850438 0.242668505557} H5 20 1 1 {} {0.235479695396 0.380490926313 0.224732629149} H6 21 1 1 {} {0.105534242687 0.462741131983 0.169452527508} H7 22 1 1 {} {0.116505368112 0.438788659468 0.281716181547} H8 23 1 1 {} {0.154450725516 0.416735311455 0.19589728726} H9 24 1 1 {} {0.169586916361 0.585185029637 0.0997685716742} H10 25 1 1 {} {0.0998581896742 0.585011554176 0.290267726383} H11 26 1 1 {} {0.372055982633 0.559944695514 0.262697299407} H12 27 1 1 {} {0.354545865554 0.598790474752 0.413516381453} H13 28 1 1 {} {0.468877941681 0.423217240877 0.405794125055} H14 29 1 1 {} {0.446964217471 0.458113046001 0.256476670296} H15 30 1 1 {} {0.338565792071 0.373717635295 0.436633400019} H16 31 1 1 {} {0.409514928769 0.38860479864 0.516174223473} H17 32 1 1 {} {0.309294537437 0.477151475623 0.551385467683} H18 33 1 1 {} {0.356891510149 0.491057251006 0.6062996236} H19 34 1 1 {} {0.489630369044 0.570107872943 0.313620166015} H20 35 1 1 {} {0.472228324132 0.577395125162 0.418458316418} H21 36 1 6 {} {0.649939128179 0.638062667573 0.494410039734} C4 37 1 14 {} {0.610542873158 0.57426936066 0.446663003633} Si6 38 1 14 {} {0.647579360831 0.724716641237 0.449593385971} Si7 39 1 8 {} {0.608013063464 0.58253855216 0.336863982372} O5 40 1 8 {} {0.630177212591 0.499511181721 0.470830770362} O6 41 1 6 {} {0.553647280664 0.580482823804 0.49622143328} C5 42 1 6 {} {0.599977646875 0.775196649385 0.494283494845} C6 43 1 8 {} {0.64330998721 0.713937106033 0.339088347352} O7 44 1 8 {} {0.695129331626 0.766105068495 0.465244985053} O8 45 1 14 {} {0.640733713624 0.42160028244 0.442976259553} Si8 46 1 7 {} {0.595392319901 0.36945158756 0.461045972605} N4 47 1 14 {} {0.575834176042 0.320190995265 0.372512110671} Si9 48 1 14 {} {0.570722442649 0.366128722577 0.567547275388} Si10 49 1 7 {} {0.605939305902 0.384856436415 0.654506894993} N5 50 1 7 {} {0.610875660001 0.257515453276 0.335182620536} N6 51 1 1 {} {0.645795796052 0.639597857816 0.567488389089} H22 52 1 1 {} {0.683993077718 0.61932629829 0.481978647735} H23 53 1 1 {} {0.620443688943 0.624856451992 0.315044053954} H24 54 1 1 {} {0.553578363606 0.570507466095 0.568206341683} H25 55 1 1 {} {0.531933787621 0.543281954417 0.464349390838} H26 56 1 1 {} {0.539008965035 0.630275201495 0.48487027845} H27 57 1 1 {} {0.599215146859 0.825619279812 0.464877242384} H28 58 1 1 {} {0.602025300974 0.780694033217 0.567242243691} H29 59 1 1 {} {0.56790038843 0.751029442616 0.47910448149} H30 60 1 1 {} {0.65128584418 0.751350935021 0.301119430837} H31 61 1 1 {} {0.695524635457 0.801110166292 0.5098427147} H32 62 1 1 {} {0.652280545778 0.416574442503 0.34616700965} H33 63 1 1 {} {0.679945741713 0.401239188433 0.497742691596} H34 64 1 1 {} {0.534084059534 0.288218800998 0.405335167595} H35 65 1 1 {} {0.56766864373 0.363063742163 0.292896315316} H36 66 1 1 {} {0.533523574189 0.415486201152 0.573763558317} H37 67 1 1 {} {0.553540408405 0.296639862711 0.579203562342} H38 68 1 1 {} {0.612522853884 0.433473715325 0.66938681854} H39 69 1 1 {} {0.632973093897 0.355778422199 0.667600631444} H40 70 1 1 {} {0.635485670432 0.268579715498 0.290924280072} H41 71 1 1 {} {0.620403681676 0.219718622963 0.376436302838} 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