#MD System 2.0 @Title neb0_image06 @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 {} {0.367758362381 0.570783483496 0.41214342573} C1 1 1 14 {} {0.344412380714 0.544204941317 0.5226204702} Si1 2 1 14 {} {0.429428769752 0.581018960617 0.407574670348} Si2 3 1 8 {} {0.357474357489 0.600936702872 0.598732299416} O1 4 1 8 {} {0.289372510566 0.542316043345 0.515777006357} O2 5 1 6 {} {0.363248653996 0.458948814207 0.557472964288} C2 6 1 6 {} {0.459231234026 0.499674527418 0.393139443072} C3 7 1 8 {} {0.442024730013 0.616740371792 0.506456813715} O3 8 1 8 {} {0.441527726697 0.633767820275 0.324963495092} O4 9 1 14 {} {0.238987867141 0.547011182361 0.55695360298} Si3 10 1 7 {} {0.219266888608 0.468778410834 0.591223462582} N1 11 1 14 {} {0.196840528168 0.46050966205 0.698748362105} Si4 12 1 14 {} {0.219832339179 0.401096313714 0.516105705732} Si5 13 1 7 {} {0.213754442229 0.422347282677 0.405655833157} N2 14 1 7 {} {0.146379784919 0.499565518987 0.718835400859} N3 15 1 1 {} {0.357672288178 0.535072732796 0.35981423566} H1 16 1 1 {} {0.352057955817 0.619131028082 0.395064605679} H2 17 1 1 {} {0.387330768712 0.61925718335 0.58909556863} H3 18 1 1 {} {0.354582756372 0.420374144031 0.50814820907} H4 19 1 1 {} {0.347548206053 0.445122222996 0.621149814364} H5 20 1 1 {} {0.399581241376 0.457717508463 0.567373653053} H6 21 1 1 {} {0.49512635469 0.509550391234 0.390031354909} H7 22 1 1 {} {0.450308338951 0.476141384609 0.32943198536} H8 23 1 1 {} {0.453535232979 0.464556327699 0.448357161668} H9 24 1 1 {} {0.472910971871 0.630533016487 0.513000723194} H10 25 1 1 {} {0.473361310102 0.634139452703 0.31183815927} H11 26 1 1 {} {0.237232176499 0.591112083002 0.637232995823} H12 27 1 1 {} {0.210074165049 0.575057171534 0.485367704017} H13 28 1 1 {} {0.190129948951 0.387473535928 0.712916316715} H14 29 1 1 {} {0.228362946853 0.489729265349 0.764677309327} H15 30 1 1 {} {0.26309089975 0.364607715542 0.521936586439} H16 31 1 1 {} {0.182248717568 0.356500860489 0.542714175381} H17 32 1 1 {} {0.240759381802 0.436995789943 0.369657024866} H18 33 1 1 {} {0.185737453727 0.445752500111 0.383500852616} H19 34 1 1 {} {0.145620538868 0.54919568849 0.733800105149} H20 35 1 1 {} {0.118337671612 0.485803617157 0.685230113006} H21 36 1 6 {} {0.6235591671 0.622027467551 0.350815473883} C4 37 1 14 {} {0.581241046992 0.559497633189 0.388407896204} Si6 38 1 14 {} {0.617579145436 0.710328071541 0.387443533249} Si7 39 1 8 {} {0.532217753732 0.59789851449 0.383039964061} O5 40 1 8 {} {0.580829499384 0.495041074277 0.32103802293} O6 41 1 6 {} {0.591191541869 0.527378180964 0.503362282927} C5 42 1 6 {} {0.635677569202 0.727408760482 0.504635237503} C6 43 1 8 {} {0.562686127912 0.725267502272 0.375938989488} O7 44 1 8 {} {0.64533783924 0.759681409284 0.317594792551} O8 45 1 14 {} {0.574425991009 0.434484396749 0.248306806292} Si8 46 1 7 {} {0.587004174985 0.356494912181 0.291264844702} N4 47 1 14 {} {0.54326331801 0.300079155935 0.314707212863} Si9 48 1 14 {} {0.641477827627 0.331056055324 0.316596539986} Si10 49 1 7 {} {0.682558715007 0.377307707379 0.265377235374} N5 50 1 7 {} {0.519459044562 0.257062103519 0.227964261118} N6 51 1 1 {} {0.65676537424 0.603619718016 0.369593029854} H22 52 1 1 {} {0.622449068839 0.622648165341 0.277216190816} H23 53 1 1 {} {0.534110272975 0.647259925673 0.378528475094} H24 54 1 1 {} {0.623242100749 0.500850913299 0.506030771563} H25 55 1 1 {} {0.564973061625 0.491935500487 0.523469038311} H26 56 1 1 {} {0.592039629796 0.567955927525 0.552835380183} H27 57 1 1 {} {0.630424067134 0.780179504087 0.522795085493} H28 58 1 1 {} {0.671268504606 0.716002850107 0.513982803108} H29 59 1 1 {} {0.616714639272 0.69685761032 0.552401691793} H30 60 1 1 {} {0.552218557377 0.771078896711 0.372985264368} H31 61 1 1 {} {0.663215081528 0.795448575693 0.342639165226} H32 62 1 1 {} {0.526777991992 0.432584983086 0.219528903347} H33 63 1 1 {} {0.603683342934 0.450607303657 0.170855091269} H34 64 1 1 {} {0.563298185389 0.249369166634 0.376003198615} H35 65 1 1 {} {0.506479598095 0.338188347147 0.358141934019} H36 66 1 1 {} {0.650801331349 0.337166987237 0.41412478509} H37 67 1 1 {} {0.645324264351 0.259616563033 0.288448530172} H38 68 1 1 {} {0.695842452668 0.418071011008 0.295762980126} H39 69 1 1 {} {0.68554850842 0.380206989681 0.198077095302} H40 70 1 1 {} {0.497241824224 0.280216061048 0.186946729494} H41 71 1 1 {} {0.536845803158 0.221534649373 0.193950770659} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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