#MD System 2.0 @Title neb0_image02 @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 {} {0.205079951936 0.528717437344 0.309848750078} C1 1 1 14 {} {0.25900185198 0.49174921238 0.268054671036} Si1 2 1 14 {} {0.158372846224 0.537219384528 0.228862206943} Si2 3 1 8 {} {0.271633572217 0.524890912781 0.170260748782} O1 4 1 8 {} {0.299014686712 0.511984974383 0.338998066226} O2 5 1 6 {} {0.257049073632 0.39857420494 0.260998997662} C2 6 1 6 {} {0.126850620251 0.457480206699 0.211094726564} C3 7 1 8 {} {0.182877593124 0.562993569971 0.134563968061} O3 8 1 8 {} {0.123043568396 0.598377553416 0.255754549284} O4 9 1 14 {} {0.350503807256 0.540967931591 0.344085086629} Si3 10 1 7 {} {0.385244066792 0.478023241125 0.385687899129} N1 11 1 14 {} {0.439653074079 0.476452101843 0.344813254557} Si4 12 1 14 {} {0.364873223138 0.423829058535 0.468530152508} Si5 13 1 7 {} {0.335722401388 0.461621922209 0.553919092102} N2 14 1 7 {} {0.461626136669 0.556130633321 0.350994002995} N3 15 1 1 {} {0.193483723485 0.500102743673 0.368312476104} H1 16 1 1 {} {0.21292781657 0.579537985542 0.334016861104} H2 17 1 1 {} {0.246093046806 0.5449371864 0.139490487272} H3 18 1 1 {} {0.251905286665 0.375575949742 0.32683706791} H4 19 1 1 {} {0.28878160935 0.379527467149 0.234225158376} H5 20 1 1 {} {0.230289474233 0.38144443742 0.216308522825} H6 21 1 1 {} {0.100338190898 0.4636749784 0.161041555472} H7 22 1 1 {} {0.111319694149 0.439734816729 0.273286376621} H8 23 1 1 {} {0.14927168471 0.41768555402 0.187474073813} H9 24 1 1 {} {0.164407005427 0.586121359368 0.0913626688681} H10 25 1 1 {} {0.0946733769634 0.585999705465 0.281831056285} H11 26 1 1 {} {0.366868117392 0.560893493687 0.254211680282} H12 27 1 1 {} {0.349350010946 0.599754740306 0.405115097062} H13 28 1 1 {} {0.463673015122 0.424056444174 0.397446414526} H14 29 1 1 {} {0.441773142109 0.459142207891 0.248089915344} H15 30 1 1 {} {0.333367237488 0.374658009755 0.428244160619} H16 31 1 1 {} {0.404311976437 0.389568333685 0.507805545229} H17 32 1 1 {} {0.304101355416 0.478108291559 0.542977076989} H18 33 1 1 {} {0.351719707746 0.49200936143 0.597903264343} H19 34 1 1 {} {0.484499635252 0.571123514274 0.305066577465} H20 35 1 1 {} {0.467462197414 0.578354672632 0.410931802717} H21 36 1 6 {} {0.655100102441 0.637070657874 0.502810959858} C4 37 1 14 {} {0.615612410618 0.573254818693 0.454943016053} Si6 38 1 14 {} {0.652763045025 0.723764984481 0.458047188865} Si7 39 1 8 {} {0.613314114761 0.581546034741 0.345296845645} O5 40 1 8 {} {0.635323051399 0.498522579874 0.47920254292} O6 41 1 6 {} {0.558517859057 0.579399160997 0.504059465147} C5 42 1 6 {} {0.605167132052 0.774229069273 0.50272053725} C6 43 1 8 {} {0.648413883892 0.712994316539 0.347494970192} O7 44 1 8 {} {0.700344428266 0.765118101142 0.473635777352} O8 45 1 14 {} {0.645900741714 0.420650271085 0.45129219002} Si8 46 1 7 {} {0.600603328723 0.3684912944 0.469554815383} N4 47 1 14 {} {0.581070699494 0.319205070169 0.380882449105} Si9 48 1 14 {} {0.575905060723 0.365127309529 0.575662588296} Si10 49 1 7 {} {0.611162229084 0.383935872492 0.662905590829} N5 50 1 7 {} {0.616052373152 0.25656038088 0.343635665093} N6 51 1 1 {} {0.650973242797 0.638651443238 0.575925151635} H22 52 1 1 {} {0.689163855538 0.618328740826 0.490391339538} H23 53 1 1 {} {0.6256448739 0.623922886685 0.323450046245} H24 54 1 1 {} {0.558673792291 0.569465156967 0.576132666478} H25 55 1 1 {} {0.536476487384 0.542464006803 0.47222133193} H26 56 1 1 {} {0.544085808992 0.629378541374 0.493145533465} H27 57 1 1 {} {0.604409046983 0.824635579421 0.473315118917} H28 58 1 1 {} {0.607218714869 0.779730690512 0.575659284441} H29 59 1 1 {} {0.573094298171 0.750044361756 0.487507443814} H30 60 1 1 {} {0.656473045683 0.750397444621 0.309556144841} H31 61 1 1 {} {0.700708436365 0.800153154423 0.518262271199} H32 62 1 1 {} {0.657468699044 0.415590720466 0.35456160834} H33 63 1 1 {} {0.685114638385 0.400268796648 0.506123442637} H34 64 1 1 {} {0.539270765398 0.287260456216 0.413782159358} H35 65 1 1 {} {0.572871039198 0.362118038443 0.301326585384} H36 66 1 1 {} {0.538733603143 0.414541545587 0.58215069715} H37 67 1 1 {} {0.55872469953 0.295722512782 0.587653877748} H38 68 1 1 {} {0.61770655611 0.432520629688 0.677830288348} H39 69 1 1 {} {0.638157632935 0.354799565515 0.675997523353} H40 70 1 1 {} {0.640682191183 0.267619811522 0.299376908169} H41 71 1 1 {} {0.625612189596 0.218795339642 0.3848500911} 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