#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 {} {0.202892118963 0.530559714235 0.302894018775} C1 1 1 14 {} {0.255706230982 0.490179812556 0.262517644931} Si1 2 1 14 {} {0.156349741008 0.536510996816 0.222878822507} Si2 3 1 8 {} {0.26669414513 0.517377169198 0.160803114037} O1 4 1 8 {} {0.299054542152 0.507671011768 0.327824466431} O2 5 1 6 {} {0.253788910502 0.397292099577 0.258281096233} C2 6 1 6 {} {0.12345033337 0.458385786989 0.207121756426} C3 7 1 8 {} {0.179870948916 0.56035416681 0.127214879158} O3 8 1 8 {} {0.122811472429 0.595932656463 0.259627002106} O4 9 1 14 {} {0.348872175682 0.541884467076 0.339144725005} Si3 10 1 7 {} {0.384422793994 0.481008213309 0.384050404482} N1 11 1 14 {} {0.438331086465 0.475581974531 0.342436305526} Si4 12 1 14 {} {0.363459417265 0.424102249544 0.463758529489} Si5 13 1 7 {} {0.331564201139 0.45885461263 0.548667287461} N2 14 1 7 {} {0.461139791485 0.553980676159 0.351578818595} N3 15 1 1 {} {0.190783164382 0.501835021589 0.360623338321} H1 16 1 1 {} {0.212165396644 0.581613691061 0.324484071702} H2 17 1 1 {} {0.24387638766 0.546432355551 0.130622551874} H3 18 1 1 {} {0.248367989013 0.371923013117 0.321869363275} H4 19 1 1 {} {0.285102542911 0.37606469203 0.233016400421} H5 20 1 1 {} {0.226799586122 0.381848344675 0.213884221625} H6 21 1 1 {} {0.0972954572369 0.467170844439 0.156677305927} H7 22 1 1 {} {0.107287534757 0.442915924769 0.269905015003} H8 23 1 1 {} {0.144742334529 0.417043236837 0.18409292075} H9 24 1 1 {} {0.160616984458 0.587740407159 0.088588677902} H10 25 1 1 {} {0.0923909294753 0.582459847433 0.280500014748} H11 26 1 1 {} {0.36538044988 0.563297402922 0.253462908345} H12 27 1 1 {} {0.346165179343 0.598367523921 0.399233012046} H13 28 1 1 {} {0.460109806903 0.421038391028 0.390297355895} H14 29 1 1 {} {0.438894592787 0.458791674126 0.246795933339} H15 30 1 1 {} {0.332420238539 0.375917183254 0.421409711808} H16 31 1 1 {} {0.402904714739 0.388613102657 0.50135974386} H17 32 1 1 {} {0.300555816296 0.475565296023 0.535865499169} H18 33 1 1 {} {0.346121984559 0.493462680199 0.591156432526} H19 34 1 1 {} {0.48353695149 0.570933642736 0.302867352016} H20 35 1 1 {} {0.468404593028 0.579131784633 0.405622001248} H21 36 1 6 {} {0.657675838493 0.639938023776 0.506743685995} C4 37 1 14 {} {0.618467102092 0.574008690575 0.462742727089} Si6 38 1 14 {} {0.655450513726 0.725287636281 0.459562231359} Si7 39 1 8 {} {0.617462627504 0.5805783618 0.351857502836} O5 40 1 8 {} {0.642218607553 0.501157294555 0.489118999943} O6 41 1 6 {} {0.560310878077 0.578028188796 0.51266634024} C5 42 1 6 {} {0.607436494089 0.775904702971 0.505439919028} C6 43 1 8 {} {0.660177069941 0.710298160035 0.348373348081} O7 44 1 8 {} {0.700327279495 0.772625836078 0.474931081797} O8 45 1 14 {} {0.649805029779 0.421825900686 0.459797062077} Si8 46 1 7 {} {0.60335087464 0.370406826706 0.474878578528} N4 47 1 14 {} {0.583052839015 0.321317491575 0.386387702812} Si9 48 1 14 {} {0.578191921792 0.362183956679 0.579271776598} Si10 49 1 7 {} {0.612258064827 0.382242881011 0.669472647669} N5 50 1 7 {} {0.616684645283 0.25846639232 0.345677347257} N6 51 1 1 {} {0.655381174594 0.640491279214 0.580006917088} H22 52 1 1 {} {0.692325956758 0.624508607783 0.49219891723} H23 53 1 1 {} {0.628227172069 0.622522624136 0.32691251622} H24 54 1 1 {} {0.557284363164 0.571211195465 0.585669454205} H25 55 1 1 {} {0.538389172912 0.540668585809 0.48171100037} H26 56 1 1 {} {0.544421760587 0.626479111929 0.498547967874} H27 57 1 1 {} {0.606124813165 0.826729881385 0.476445495194} H28 58 1 1 {} {0.61020295884 0.7811536627 0.579190404039} H29 59 1 1 {} {0.57463155789 0.752562977435 0.493636453516} H30 60 1 1 {} {0.661882917051 0.75088101482 0.310896764602} H31 61 1 1 {} {0.702381618129 0.802843296905 0.524782220708} H32 62 1 1 {} {0.660312552254 0.416301502279 0.361753587524} H33 63 1 1 {} {0.689120566857 0.399014187374 0.515138891791} H34 64 1 1 {} {0.540915693559 0.291327831924 0.417633129884} H35 65 1 1 {} {0.57499862112 0.363012791862 0.30543877982} H36 66 1 1 {} {0.538504670905 0.408209071677 0.588524375427} H37 67 1 1 {} {0.563713335289 0.290009947968 0.590113527028} H38 68 1 1 {} {0.618777315232 0.433013434001 0.678181565169} H39 69 1 1 {} {0.640519345857 0.356171295646 0.682615226108} H40 70 1 1 {} {0.639606501926 0.26783092006 0.29906015766} H41 71 1 1 {} {0.62475548375 0.216248654209 0.383297321707} 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