#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 {} {0.363765995228 0.561075566711 0.412932092039} C1 1 1 14 {} {0.340521723319 0.534479507971 0.523422536534} Si1 2 1 14 {} {0.425279800247 0.5716983033 0.408657327815} Si2 3 1 8 {} {0.35367961568 0.591306763634 0.599491680117} O1 4 1 8 {} {0.285629878906 0.532722092994 0.516378424042} O2 5 1 6 {} {0.359454345222 0.449274895977 0.558216649963} C2 6 1 6 {} {0.456226325695 0.49107974387 0.393879682916} C3 7 1 8 {} {0.438341307847 0.606811784795 0.507326868496} O3 8 1 8 {} {0.438003634021 0.6235464374 0.32578494748} O4 9 1 14 {} {0.235209032217 0.537254827036 0.557707960549} Si3 10 1 7 {} {0.215497094482 0.459326932836 0.591928255763} N1 11 1 14 {} {0.193014982451 0.450955295954 0.699377814468} Si4 12 1 14 {} {0.216004330905 0.391571351011 0.516861329394} Si5 13 1 7 {} {0.209909017812 0.412634063918 0.406387238943} N2 14 1 7 {} {0.142582416431 0.489903699051 0.719706286632} N3 15 1 1 {} {0.353891084743 0.525387688791 0.36055811108} H1 16 1 1 {} {0.348324510499 0.609475209592 0.395862434658} H2 17 1 1 {} {0.383573091675 0.609626800437 0.589898581913} H3 18 1 1 {} {0.350746091782 0.410706453501 0.50888767152} H4 19 1 1 {} {0.343703650137 0.435488505799 0.621911285187} H5 20 1 1 {} {0.395768042476 0.448044103855 0.568213490071} H6 21 1 1 {} {0.492203003659 0.500768765853 0.390873026046} H7 22 1 1 {} {0.446754856018 0.466787607712 0.330819112599} H8 23 1 1 {} {0.450034445747 0.455600934662 0.448469173945} H9 24 1 1 {} {0.469215471222 0.620657917651 0.513561564482} H10 25 1 1 {} {0.469906003551 0.623843395282 0.313397997385} H11 26 1 1 {} {0.233485802017 0.581560899733 0.637967706956} H12 27 1 1 {} {0.206284766181 0.565473926461 0.48608030301} H13 28 1 1 {} {0.186375712382 0.377842624257 0.713684782306} H14 29 1 1 {} {0.224584149815 0.48013620924 0.765460472793} H15 30 1 1 {} {0.259291643783 0.354968301638 0.522692513929} H16 31 1 1 {} {0.178417979848 0.346955542911 0.543522335136} H17 32 1 1 {} {0.236953032277 0.42741719529 0.37048142978} H18 33 1 1 {} {0.18198024607 0.436176877909 0.38433245307} H19 34 1 1 {} {0.141833692908 0.539570856624 0.734546175207} H20 35 1 1 {} {0.114581709513 0.476201598722 0.686075527225} H21 36 1 6 {} {0.627245870707 0.631564141626 0.350068094205} C4 37 1 14 {} {0.584235032757 0.569233145801 0.387578605051} Si6 38 1 14 {} {0.621458534839 0.720043658838 0.386632824534} Si7 39 1 8 {} {0.53449487538 0.606553010778 0.382221967799} O5 40 1 8 {} {0.58456690256 0.504664540922 0.320250380952} O6 41 1 6 {} {0.594922242298 0.537095244741 0.502475745348} C5 42 1 6 {} {0.639506953413 0.737053426473 0.503817481452} C6 43 1 8 {} {0.566552818604 0.734850933903 0.375217943957} O7 44 1 8 {} {0.649061332259 0.769459312546 0.31672071251} O8 45 1 14 {} {0.578198252079 0.444185655975 0.247527519541} Si8 46 1 7 {} {0.590754001918 0.366070938598 0.290621081374} N4 47 1 14 {} {0.54713360628 0.309738722447 0.313970145922} Si9 48 1 14 {} {0.645317365758 0.340778112167 0.315821427965} Si10 49 1 7 {} {0.686344193905 0.386990734594 0.264615320652} N5 50 1 7 {} {0.523271925646 0.266660872324 0.226959558398} N6 51 1 1 {} {0.660617951319 0.613233555216 0.368773406937} H22 52 1 1 {} {0.626242488406 0.632292733722 0.276437308511} H23 53 1 1 {} {0.537595297704 0.655716410586 0.377810024735} H24 54 1 1 {} {0.627021016989 0.510470728989 0.505375071563} H25 55 1 1 {} {0.568736603809 0.501639210696 0.522690861241} H26 56 1 1 {} {0.595800743907 0.577661895179 0.552073440446} H27 57 1 1 {} {0.634231980589 0.789829940136 0.522012047621} H28 58 1 1 {} {0.675090923378 0.725635492231 0.513202600133} H29 59 1 1 {} {0.62050916989 0.706494242392 0.551565101601} H30 60 1 1 {} {0.555978678023 0.780628951673 0.372191842257} H31 61 1 1 {} {0.667000732637 0.805074097337 0.341759625765} H32 62 1 1 {} {0.530551561904 0.44217818155 0.218705257154} H33 63 1 1 {} {0.607450626645 0.460242221608 0.170050779313} H34 64 1 1 {} {0.567104055101 0.258999675817 0.375229801607} H35 65 1 1 {} {0.510327499121 0.347764054642 0.35730072196} H36 66 1 1 {} {0.654608717057 0.346853725661 0.413294171121} H37 67 1 1 {} {0.649191989548 0.269345179906 0.287638244333} H38 68 1 1 {} {0.699720299814 0.427723918045 0.294926250176} H39 69 1 1 {} {0.68935195144 0.389895653743 0.19721550116} H40 70 1 1 {} {0.501035968742 0.289790557411 0.186256617905} H41 71 1 1 {} {0.540661674095 0.231190677465 0.193188902472} 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