#MD System 2.0 @Title neb1_max2_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 7 {} {-0.922493094922 0.9809642308 0.641576248619} N1 1 1 14 {} {-3.91285908415 3.31346903577 3.77063843212} Si1 2 1 14 {} {-0.747232235253 1.06084163555 0.491480284851} Si2 3 1 14 {} {-0.565339157288 1.12017250654 0.836398442568} Si3 4 1 8 {} {-8.85315107319 13.4400797507 -0.610051975175} O 5 1 1 {} {-2.90797721313 1.62499776556 3.30482601297} H1 6 1 1 {} {-1.49196139306 1.65545724108 -0.823625360564} H2 7 1 1 {} {-0.657546873878 1.13472927796 0.398468604531} H3 8 1 1 {} {-1.15697051812 0.895919023178 0.812745076179} H4 9 1 1 {} {-0.885732080145 0.805333780266 0.0588432973537} H5 10 1 1 {} {-0.725169694586 0.744123474892 0.33872042492} H6 11 1 1 {} {-0.701131737997 0.551169830201 0.737257530924} H7 12 1 1 {} {-0.326854600189 0.757823501327 0.833168689404} H8 13 1 1 {} {-4.0022259475 3.31660057543 -0.463739985361} H10 14 1 7 {} {1.96036642434 -0.343968225419 -0.218477080749} N3 15 1 14 {} {4.18984553513 -1.9884169549 -0.183069524791} Si4 16 1 14 {} {1.79615519423 0.116856326842 0.585342415948} Si5 17 1 14 {} {2.0274020084 -0.239491737603 0.330841760044} Si6 18 1 7 {} {5.47444555482 -5.58416859535 0.435126000949} N4 19 1 1 {} {1.82947889315 -0.801504392832 0.634901172402} H11 20 1 1 {} {4.66719693529 -0.684564968973 -0.535127540153} H12 21 1 1 {} {1.78262083628 0.18350612884 0.369787594541} H13 22 1 1 {} {2.02999530303 -0.0932616042201 0.751896237256} H14 23 1 1 {} {1.81886911611 0.35195168281 0.778844388463} H15 24 1 1 {} {1.88605280724 -0.219258810631 0.688618346564} H16 25 1 1 {} {1.49615078454 -0.18589826531 0.739558351617} H17 26 1 1 {} {1.4572985844 -0.340093174625 0.73657471564} H18 27 1 1 {} {3.85152585427 -2.98928172695 -0.649603183578} H19 28 1 1 {} {6.55452594671 -4.79332314625 0.314492672282} H20 29 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} {15 12 12 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{15 0 0} {0 12 0} {0 0 12}} {{0.0666666666667 0 0} {0 0.0833333333333 0} {0 0 0.0833333333333}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 27 18 0 0 2 0 0 0 15 14 0 0 10 3 0 0 6 1 0 0 26 17 0 0 7 2 0 0 8 2 0 0 21 16 0 0 28 18 0 0 9 2 0 0 20 15 0 0 19 15 0 0 1 0 0 0 4 1 0 0 5 1 0 0 25 17 0 0 18 15 0 0 13 4 0 0 3 0 0 0 16 14 0 0 17 14 0 0 12 3 0 0 24 17 0 0 23 16 0 0 11 3 0 0 22 16 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 27 18 {0 0 0} 0 1 0 2 {0 0 0} 0 2 14 15 {0 0 0} 0 3 3 10 {0 0 0} 0 4 1 6 {0 0 0} 0 5 26 17 {0 0 0} 0 6 7 2 {0 0 0} 0 7 8 2 {0 0 0} 0 8 16 21 {0 0 0} 0 9 28 18 {0 0 0} 0 10 9 2 {0 0 0} 0 11 15 20 {0 0 0} 0 12 15 19 {0 0 0} 0 13 0 1 {0 0 0} 0 14 4 1 {0 0 0} 0 15 1 5 {0 0 0} 0 16 17 25 {0 0 0} 0 17 15 18 {0 0 0} 0 18 4 13 {0 0 0} 0 19 3 0 {0 0 0} 0 20 16 14 {0 0 0} 0 21 14 17 {0 0 0} 0 22 3 12 {0 0 0} 0 23 17 24 {0 0 0} 0 24 16 23 {0 0 0} 0 25 11 3 {0 0 0} 0 26 22 16 {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