#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 {} {0.21027013766 0.52776499215 0.318221967077} C1 1 1 14 {} {0.264192554412 0.490774731237 0.27642889463} Si1 2 1 14 {} {0.163584375199 0.536260149031 0.23723066336} Si2 3 1 8 {} {0.276784011232 0.523844624267 0.178602786951} O1 4 1 8 {} {0.304177017779 0.51105944784 0.3473550151} O2 5 1 6 {} {0.262238838814 0.397604140604 0.26938990721} C2 6 1 6 {} {0.132039854131 0.456546788362 0.21951055276} C3 7 1 8 {} {0.188082382741 0.562078180083 0.142945374539} O3 8 1 8 {} {0.12824027482 0.597358539753 0.26418759375} O4 9 1 14 {} {0.35565633612 0.540006331249 0.352494839232} Si3 10 1 7 {} {0.390376574419 0.477075894433 0.394137991905} N1 11 1 14 {} {0.444680184619 0.475398487577 0.35304643448} Si4 12 1 14 {} {0.37002412339 0.42286457335 0.476926270362} Si5 13 1 7 {} {0.340896676029 0.46066973869 0.562294040382} N2 14 1 7 {} {0.466443639317 0.555201709453 0.358857088302} N3 15 1 1 {} {0.198666790237 0.499146796548 0.376696269774} H1 16 1 1 {} {0.218119177223 0.578591539855 0.342399905912} H2 17 1 1 {} {0.251267692533 0.543989441104 0.147858411758} H3 18 1 1 {} {0.257083765575 0.374607962852 0.335218557972} H4 19 1 1 {} {0.293955122005 0.378559270054 0.242636031631} H5 20 1 1 {} {0.23546872642 0.380490757099 0.224703919866} H6 21 1 1 {} {0.1055254639 0.462731921001 0.169442685427} H7 22 1 1 {} {0.116501398691 0.438788498447 0.281690159816} H8 23 1 1 {} {0.154443883479 0.416737725661 0.19588043809} H9 24 1 1 {} {0.169584291512 0.585182346026 0.0997503662681} H10 25 1 1 {} {0.099851571468 0.585022821766 0.290242487898} H11 26 1 1 {} {0.37205240262 0.559949053684 0.262634616486} H12 27 1 1 {} {0.354534990037 0.598815338344 0.413527768201} H13 28 1 1 {} {0.468866646552 0.423187835872 0.405801376009} H14 29 1 1 {} {0.44695192652 0.458119635947 0.256424453827} H15 30 1 1 {} {0.338552073995 0.373710561575 0.436624148439} H16 31 1 1 {} {0.40950275659 0.388611667073 0.516174165634} H17 32 1 1 {} {0.309281617285 0.477153296506 0.551366751906} H18 33 1 1 {} {0.35689646888 0.491059201892 0.606299996633} H19 34 1 1 {} {0.489645479816 0.570117239028 0.313503089473} H20 35 1 1 {} {0.472313057598 0.577399455465 0.418726371045} H21 36 1 6 {} {0.649948534429 0.638071203911 0.494435137379} C4 37 1 14 {} {0.610522900704 0.574258232523 0.446625240422} Si6 38 1 14 {} {0.647570847971 0.724710732924 0.449592155701} Si7 39 1 8 {} {0.608055477249 0.582529328739 0.336904204623} O5 40 1 8 {} {0.630169352186 0.499498042483 0.470834280942} O6 41 1 6 {} {0.553574479285 0.580450626548 0.496059902073} C5 42 1 6 {} {0.599982931809 0.775181473195 0.494298412469} C6 43 1 8 {} {0.643297672212 0.71394273808 0.339115827856} O7 44 1 8 {} {0.695159795803 0.766087873716 0.465252033514} O8 45 1 14 {} {0.640744840361 0.421598451213 0.442955607099} Si8 46 1 7 {} {0.595400991661 0.369440564455 0.461062026588} N4 47 1 14 {} {0.575849893837 0.320196708377 0.372512321639} Si9 48 1 14 {} {0.570729443979 0.366114928161 0.5675354063} Si10 49 1 7 {} {0.605950942017 0.384864592058 0.65451240126} N5 50 1 7 {} {0.610884581579 0.257512993775 0.335217071136} N6 51 1 1 {} {0.64579805538 0.639597348235 0.567511062583} H22 52 1 1 {} {0.684002741286 0.619303642806 0.481993258329} H23 53 1 1 {} {0.620451843636 0.624852816039 0.315064568033} H24 54 1 1 {} {0.553574602958 0.570483235241 0.568111832185} H25 55 1 1 {} {0.531760740863 0.543300612808 0.464212411702} H26 56 1 1 {} {0.538989956982 0.630293569957 0.484852805874} H27 57 1 1 {} {0.599226048489 0.825609041528 0.464903849309} H28 58 1 1 {} {0.602036069908 0.780689059088 0.567247920046} H29 59 1 1 {} {0.567911224337 0.751017201519 0.479115470092} H30 60 1 1 {} {0.651291493584 0.751346479349 0.30114782717} H31 61 1 1 {} {0.695531436831 0.801117393865 0.509875703148} H32 62 1 1 {} {0.652287483488 0.416564290315 0.346187099288} H33 63 1 1 {} {0.679943277603 0.401233060271 0.497739927681} H34 64 1 1 {} {0.534085552897 0.288205514397 0.405367147584} H35 65 1 1 {} {0.567680707354 0.36306161395 0.292921097559} H36 66 1 1 {} {0.533539522831 0.415489505856 0.573764480117} H37 67 1 1 {} {0.553545035829 0.296662438362 0.579223886853} H38 68 1 1 {} {0.612529984952 0.433465039326 0.669411259141} H39 69 1 1 {} {0.632975209193 0.355771772653 0.667602972703} H40 70 1 1 {} {0.635500253626 0.268574905126 0.290953858925} H41 71 1 1 {} {0.62042163819 0.219725217175 0.376456265984} 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