#MD System 2.0 @Title neb0_image05 @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 {} {0.2131519257 0.527109441601 0.323122335462} C1 1 1 14 {} {0.266573628707 0.489865322626 0.280792843925} Si1 2 1 14 {} {0.166359875856 0.535778712069 0.241940561823} Si2 3 1 8 {} {0.279699817513 0.523322218709 0.183385007897} O1 4 1 8 {} {0.30579441885 0.510504778214 0.352359184707} O2 5 1 6 {} {0.265069843211 0.396830241672 0.274083721693} C2 6 1 6 {} {0.134792438875 0.45600248192 0.224087724518} C3 7 1 8 {} {0.190832552316 0.561861058647 0.147401420148} O3 8 1 8 {} {0.130809017993 0.596656407571 0.268837095459} O4 9 1 14 {} {0.357829206114 0.538979269276 0.357072117246} Si3 10 1 7 {} {0.392397812867 0.475897301109 0.398177886629} N1 11 1 14 {} {0.446550618072 0.473175605661 0.356395650222} Si4 12 1 14 {} {0.372458324826 0.422117911265 0.48303434391} Si5 13 1 7 {} {0.343870512096 0.460676364099 0.566457280027} N2 14 1 7 {} {0.469367124524 0.554228451487 0.36102626251} N3 15 1 1 {} {0.20145397706 0.498502462604 0.381584674992} H1 16 1 1 {} {0.221019905042 0.578186015108 0.346779427487} H2 17 1 1 {} {0.254129127699 0.543311704089 0.152345713425} H3 18 1 1 {} {0.260008590102 0.374173089076 0.339988469747} H4 19 1 1 {} {0.296832731392 0.378008823265 0.247586613567} H5 20 1 1 {} {0.238388000717 0.379834661561 0.229503267456} H6 21 1 1 {} {0.1082389433 0.462101779626 0.173814178728} H7 22 1 1 {} {0.119291602655 0.438212048852 0.286540549877} H8 23 1 1 {} {0.157467897554 0.416276562591 0.200444901694} H9 24 1 1 {} {0.172522895349 0.584619398489 0.104595595583} H10 25 1 1 {} {0.102725735289 0.584367336739 0.295020563415} H11 26 1 1 {} {0.373952602966 0.559774640705 0.265890462616} H12 27 1 1 {} {0.357639195225 0.597802061393 0.417875547309} H13 28 1 1 {} {0.472879075545 0.422332595168 0.411159956371} H14 29 1 1 {} {0.448645490275 0.456573373347 0.261201299952} H15 30 1 1 {} {0.341318272933 0.372748952598 0.441646286059} H16 31 1 1 {} {0.412281813853 0.388535892469 0.519911639544} H17 32 1 1 {} {0.311904865321 0.476273727923 0.555591716735} H18 33 1 1 {} {0.360169599961 0.490041035008 0.610429780932} H19 34 1 1 {} {0.493074956106 0.572475170334 0.3143702921} H20 35 1 1 {} {0.47269898051 0.578463521197 0.420024807173} H21 36 1 6 {} {0.64753603153 0.640265299089 0.490054419966} C4 37 1 14 {} {0.608378573842 0.574453601883 0.442829592777} Si6 38 1 14 {} {0.644795845521 0.726155076492 0.444333014632} Si7 39 1 8 {} {0.605020711673 0.582706092298 0.331973729418} O5 40 1 8 {} {0.628387157983 0.499556179751 0.466176754608} O6 41 1 6 {} {0.551316267096 0.580632892219 0.493732995601} C5 42 1 6 {} {0.597409522627 0.775432416118 0.489684699946} C6 43 1 8 {} {0.640897976229 0.714200946943 0.334597372742} O7 44 1 8 {} {0.692015175176 0.767165892703 0.459606547138} O8 45 1 14 {} {0.638181558915 0.421691247079 0.438985872469} Si8 46 1 7 {} {0.592417434366 0.369676838325 0.454920094567} N4 47 1 14 {} {0.574057553484 0.320747783966 0.370098944743} Si9 48 1 14 {} {0.56689020826 0.367193266388 0.561377924598} Si10 49 1 7 {} {0.604730970925 0.386486255719 0.651953619977} N5 50 1 7 {} {0.607130310833 0.258866006102 0.331299891386} N6 51 1 1 {} {0.644431969965 0.641030564424 0.56338966261} H22 52 1 1 {} {0.681047936972 0.620241428823 0.477087202151} H23 53 1 1 {} {0.617326271864 0.626121213838 0.310995040056} H24 54 1 1 {} {0.552405959441 0.571412817259 0.565435842483} H25 55 1 1 {} {0.528931424435 0.543025461803 0.465969341104} H26 56 1 1 {} {0.535937432611 0.630515552331 0.481690404223} H27 57 1 1 {} {0.596668790991 0.825510795632 0.459995747753} H28 58 1 1 {} {0.599328924451 0.781020661175 0.562505837629} H29 59 1 1 {} {0.565603425436 0.751099233322 0.474247133524} H30 60 1 1 {} {0.648355273594 0.751976258702 0.296842127681} H31 61 1 1 {} {0.692821073376 0.802487707697 0.505534211769} H32 62 1 1 {} {0.649648832274 0.41685261419 0.340672941928} H33 63 1 1 {} {0.677139021588 0.400690171902 0.492701981755} H34 64 1 1 {} {0.531313339522 0.289219984905 0.400615221618} H35 65 1 1 {} {0.564631949533 0.363903292317 0.288076423414} H36 66 1 1 {} {0.53080848287 0.415814374729 0.569130269952} H37 67 1 1 {} {0.550937127466 0.296857935996 0.574638360742} H38 68 1 1 {} {0.609452032989 0.43156257833 0.664349507369} H39 69 1 1 {} {0.629317985773 0.357665120882 0.662666918454} H40 70 1 1 {} {0.632984520576 0.269504794395 0.285050455931} H41 71 1 1 {} {0.617219395504 0.21994018199 0.372108874079} 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