#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 {} {0.202494501254 0.529195475868 0.305677545539} C1 1 1 14 {} {0.256418832325 0.492195344903 0.263838511148} Si1 2 1 14 {} {0.155810918623 0.537675169428 0.224648761435} Si2 3 1 8 {} {0.269052984329 0.525380780204 0.166062338387} O1 4 1 8 {} {0.296435712352 0.512437359 0.334805232767} O2 5 1 6 {} {0.254476583524 0.399033267429 0.256813039813} C2 6 1 6 {} {0.124274363957 0.457979416809 0.206923372235} C3 7 1 8 {} {0.180316655213 0.563467430778 0.130376347644} O3 8 1 8 {} {0.120470091398 0.598831038907 0.251590877077} O4 9 1 14 {} {0.347906517221 0.54143300894 0.33985983051} Si3 10 1 7 {} {0.382665788481 0.478499535387 0.38152010284} N1 11 1 14 {} {0.437101194917 0.476924766847 0.340700358175} Si4 12 1 14 {} {0.362277022951 0.424272117925 0.464307312864} Si5 13 1 7 {} {0.333143343612 0.462102422679 0.549728906716} N2 14 1 7 {} {0.459071848638 0.55664695403 0.346860745362} N3 15 1 1 {} {0.190899965181 0.500575146594 0.364133968068} H1 16 1 1 {} {0.210345089218 0.580012943973 0.32984017962} H2 17 1 1 {} {0.24350663366 0.545414502521 0.135311250159} H3 18 1 1 {} {0.24932559552 0.376048356809 0.322659844593} H4 19 1 1 {} {0.286201624907 0.37999750375 0.23004301111} H5 20 1 1 {} {0.227708416725 0.381917158655 0.212134106764} H6 21 1 1 {} {0.0977558922167 0.464148255083 0.156868313802} H7 22 1 1 {} {0.108741241331 0.440211437766 0.269108255675} H8 23 1 1 {} {0.146686940185 0.418162466368 0.183300271138} H9 24 1 1 {} {0.161832437248 0.586594518067 0.0871899655335} H10 25 1 1 {} {0.092092013154 0.58647281071 0.277651970318} H11 26 1 1 {} {0.364287571633 0.561364184651 0.250033858831} H12 27 1 1 {} {0.346769444277 0.600225044811 0.400935424195} H13 28 1 1 {} {0.461086777573 0.424528458604 0.393265560828} H14 29 1 1 {} {0.439190864788 0.459622375472 0.243916334865} H15 30 1 1 {} {0.330783273994 0.375131330659 0.424065434683} H16 31 1 1 {} {0.40172963439 0.390044880272 0.503625835936} H17 32 1 1 {} {0.301519348899 0.478583089059 0.53880367162} H18 33 1 1 {} {0.349140197213 0.492484065952 0.593730873188} H19 34 1 1 {} {0.48191269977 0.571595214799 0.30089374444} H20 35 1 1 {} {0.464910368478 0.578825786558 0.406812607418} H21 36 1 6 {} {0.657681087593 0.636627272065 0.507007012294} C4 37 1 14 {} {0.61818318123 0.57282939997 0.459105522076} Si6 38 1 14 {} {0.655341782915 0.723286086084 0.46215339731} Si7 39 1 8 {} {0.615938766121 0.581058009381 0.349454938165} O5 40 1 8 {} {0.637910199144 0.498035194245 0.483408917462} O6 41 1 6 {} {0.561079364691 0.578929837305 0.5081822218} C5 42 1 6 {} {0.60774640568 0.773755256959 0.50688918607} C6 43 1 8 {} {0.651053799585 0.7125190802 0.351684790096} O7 44 1 8 {} {0.702905942957 0.764655234078 0.477830662401} O8 45 1 14 {} {0.648511384282 0.420195820903 0.455502465888} Si8 46 1 7 {} {0.603158533479 0.36798998104 0.473634333479} N4 47 1 14 {} {0.583591401997 0.318778917562 0.385118266717} Si9 48 1 14 {} {0.578513902687 0.36468070707 0.580044766283} Si10 49 1 7 {} {0.613697875602 0.383441514994 0.667075228391} N5 50 1 7 {} {0.618653323131 0.25608457219 0.347830720156} N6 51 1 1 {} {0.653555382118 0.638178820268 0.580111523347} H22 52 1 1 {} {0.691741929301 0.617856701255 0.494575700492} H23 53 1 1 {} {0.62822471022 0.623449303647 0.327625841436} H24 54 1 1 {} {0.561243497647 0.568979871457 0.580290687227} H25 55 1 1 {} {0.539005736641 0.541997930758 0.476376010426} H26 56 1 1 {} {0.546656667343 0.628890465931 0.497319040163} H27 57 1 1 {} {0.606989352804 0.824163629411 0.477498968775} H28 58 1 1 {} {0.609800829293 0.779255062803 0.579836110998} H29 59 1 1 {} {0.575674156939 0.749567664323 0.491688765666} H30 60 1 1 {} {0.659059454858 0.749927558925 0.313735811592} H31 61 1 1 {} {0.703290463883 0.799681880656 0.522447470343} H32 62 1 1 {} {0.660048556445 0.415112813943 0.358743299489} H33 63 1 1 {} {0.687695449425 0.39978407524 0.510298502354} H34 64 1 1 {} {0.541846779152 0.28677847349 0.417958294063} H35 65 1 1 {} {0.575451160242 0.361637345468 0.305502635957} H36 66 1 1 {} {0.541302561912 0.414068612403 0.58629364803} H37 67 1 1 {} {0.561296767857 0.295244412756 0.59180382672} H38 68 1 1 {} {0.620288210606 0.432034570643 0.681993911206} H39 69 1 1 {} {0.640731093259 0.354333811048 0.68016066771} H40 70 1 1 {} {0.643269484811 0.267148388116 0.303542484749} H41 71 1 1 {} {0.628196271729 0.218311059294 0.389044729778} 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