#MD System 2.0 @Title neb0_image07 @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 {} {0.36922380322 0.576168767921 0.411893203706} C1 1 1 14 {} {0.346321258777 0.549439950023 0.522322062523} Si1 2 1 14 {} {0.430624003877 0.585506753289 0.407634334384} Si2 3 1 8 {} {0.359585594115 0.606106235238 0.59848357758} O1 4 1 8 {} {0.29152027256 0.547874223275 0.515279012809} O2 5 1 6 {} {0.365310835836 0.464205161623 0.557047438063} C2 6 1 6 {} {0.459117255971 0.502076156099 0.392935066443} C3 7 1 8 {} {0.443999654035 0.621488499469 0.505597899633} O3 8 1 8 {} {0.442975918154 0.638380261264 0.325521632078} O4 9 1 14 {} {0.241078238957 0.552165591845 0.556595649333} Si3 10 1 7 {} {0.221439727297 0.474275517784 0.590715888182} N1 11 1 14 {} {0.198931606636 0.465917691952 0.698048697616} Si4 12 1 14 {} {0.221900495977 0.406590120834 0.515610628294} Si5 13 1 7 {} {0.215826588313 0.427732066699 0.405214295053} N2 14 1 7 {} {0.148480456146 0.504789042781 0.718438519445} N3 15 1 1 {} {0.359778663711 0.54035098085 0.359496475134} H1 16 1 1 {} {0.354108594034 0.624588714568 0.39470192831} H2 17 1 1 {} {0.389470736418 0.62456036948 0.588571091516} H3 18 1 1 {} {0.356671955216 0.42561613345 0.507707426564} H4 19 1 1 {} {0.349585059574 0.450389071304 0.620753059216} H5 20 1 1 {} {0.401611289717 0.462976467397 0.56700044221} H6 21 1 1 {} {0.494836799626 0.510952795042 0.390265487927} H7 22 1 1 {} {0.449906917578 0.478596992487 0.329177897104} H8 23 1 1 {} {0.452704205367 0.467108462694 0.447911298953} H9 24 1 1 {} {0.474919152688 0.634896604143 0.513030545081} H10 25 1 1 {} {0.47431256997 0.63806359305 0.308290265607} H11 26 1 1 {} {0.239337182504 0.596505164787 0.636900812644} H12 27 1 1 {} {0.212120138453 0.580402197076 0.484946682567} H13 28 1 1 {} {0.192258879614 0.392742484873 0.712524350101} H14 29 1 1 {} {0.230494691437 0.495078003557 0.764270525815} H15 30 1 1 {} {0.265209757572 0.369870596013 0.521478167351} H16 31 1 1 {} {0.18431017294 0.361877936545 0.542241969477} H17 32 1 1 {} {0.24284832101 0.442343964115 0.369194068835} H18 33 1 1 {} {0.187865226845 0.451125696505 0.383079803861} H19 34 1 1 {} {0.14771594192 0.554429246887 0.733330904624} H20 35 1 1 {} {0.120474113903 0.491087308148 0.684821780856} H21 36 1 6 {} {0.623126606109 0.616973983413 0.350948961904} C4 37 1 14 {} {0.579846589358 0.555422104523 0.38877100003} Si6 38 1 14 {} {0.616032168078 0.705277367364 0.387970553021} Si7 39 1 8 {} {0.532317250861 0.597655615181 0.383694295024} O5 40 1 8 {} {0.57895844729 0.490435833495 0.321571886617} O6 41 1 6 {} {0.58949344787 0.522039263798 0.503777855496} C5 42 1 6 {} {0.633589200035 0.722132054658 0.50518864764} C6 43 1 8 {} {0.561088344255 0.721034453905 0.376445907289} O7 44 1 8 {} {0.643227642465 0.754659049876 0.317950858706} O8 45 1 14 {} {0.572337685505 0.429512562312 0.248936800789} Si8 46 1 7 {} {0.584879933309 0.351211088008 0.291836371609} N4 47 1 14 {} {0.541168362919 0.294886396643 0.315361085579} Si9 48 1 14 {} {0.639399024541 0.325794424616 0.317017689674} Si10 49 1 7 {} {0.680419216574 0.371976531748 0.265900531471} N5 50 1 7 {} {0.517372580061 0.251770940922 0.227990106393} N6 51 1 1 {} {0.656705182285 0.599032116758 0.369252716392} H22 52 1 1 {} {0.620756496358 0.61733620422 0.277304650197} H23 53 1 1 {} {0.536732058052 0.647008261169 0.379428573325} H24 54 1 1 {} {0.62148054403 0.494982135443 0.507719630296} H25 55 1 1 {} {0.562896404878 0.486936584734 0.523170875842} H26 56 1 1 {} {0.590016255331 0.562708528312 0.553287151503} H27 57 1 1 {} {0.628317241693 0.774907714579 0.523280682223} H28 58 1 1 {} {0.669161888855 0.710688210681 0.514440314382} H29 59 1 1 {} {0.614599141745 0.691538266129 0.552895496436} H30 60 1 1 {} {0.550082419575 0.766516480843 0.37327672791} H31 61 1 1 {} {0.661103814535 0.790264661302 0.342953376636} H32 62 1 1 {} {0.524725191275 0.427348073502 0.220119885566} H33 63 1 1 {} {0.601564297343 0.445318202672 0.171350007644} H34 64 1 1 {} {0.561167936054 0.244132904545 0.376427311037} H35 65 1 1 {} {0.504385547416 0.332920695952 0.358511531865} H36 66 1 1 {} {0.648708826077 0.331918743042 0.414406446151} H37 67 1 1 {} {0.643256682066 0.254377786433 0.288834060422} H38 68 1 1 {} {0.693800977537 0.412819626603 0.296192464866} H39 69 1 1 {} {0.683455740235 0.374981015758 0.198318157901} H40 70 1 1 {} {0.495136751612 0.274841420243 0.187501332257} H41 71 1 1 {} {0.534736355669 0.216298138642 0.194484796637} 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