#MD System 2.0 @Title neb0_image03 @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 {} {0.208006443731 0.528255587766 0.313985454727} C1 1 1 14 {} {0.261706060773 0.490835866986 0.272481585558} Si1 2 1 14 {} {0.161381321305 0.536517691641 0.233027927416} Si2 3 1 8 {} {0.273830353989 0.522172050233 0.173381529463} O1 4 1 8 {} {0.302049691162 0.511493426178 0.342475098407} O2 5 1 6 {} {0.259604561537 0.397762307123 0.26601722623} C2 6 1 6 {} {0.129540097682 0.457084230257 0.215367592592} C3 7 1 8 {} {0.185814925899 0.562636184896 0.138849124498} O3 8 1 8 {} {0.126242181104 0.59745862503 0.261411225347} O4 9 1 14 {} {0.353363317979 0.540808733503 0.349158017651} Si3 10 1 7 {} {0.387921329438 0.477664579114 0.390526262474} N1 11 1 14 {} {0.44169815468 0.475141820487 0.347190434997} Si4 12 1 14 {} {0.367642298002 0.423148043649 0.473118167024} Si5 13 1 7 {} {0.33819098622 0.460611933197 0.558526993944} N2 14 1 7 {} {0.46225612187 0.555721069348 0.351247951204} N3 15 1 1 {} {0.196327189987 0.499727636842 0.372425421335} H1 16 1 1 {} {0.21601602135 0.579155911133 0.337650725259} H2 17 1 1 {} {0.248942042848 0.544442444265 0.143246477783} H3 18 1 1 {} {0.254364457659 0.374308316182 0.331407252489} H4 19 1 1 {} {0.291251157943 0.378479212976 0.239323624246} H5 20 1 1 {} {0.23284384987 0.38108337426 0.221072020697} H6 21 1 1 {} {0.103086512534 0.463702126559 0.165234205316} H7 22 1 1 {} {0.113845222904 0.439696704926 0.277619662357} H8 23 1 1 {} {0.151750416424 0.416963021306 0.191932628763} H9 24 1 1 {} {0.167018774153 0.585768023308 0.0962240502149} H10 25 1 1 {} {0.0976634651145 0.584969144515 0.286522491841} H11 26 1 1 {} {0.369818481714 0.560915573166 0.259837563202} H12 27 1 1 {} {0.352062910207 0.599267844126 0.410122524334} H13 28 1 1 {} {0.466334554028 0.423883606056 0.400566531301} H14 29 1 1 {} {0.444046620552 0.457006269136 0.251219633068} H15 30 1 1 {} {0.336286180874 0.374141214925 0.432440554521} H16 31 1 1 {} {0.407168472699 0.388812259 0.511835971919} H17 32 1 1 {} {0.306689154966 0.477348906078 0.547025248424} H18 33 1 1 {} {0.354061419002 0.491815700793 0.602083438583} H19 34 1 1 {} {0.487166783138 0.569560657224 0.308889716305} H20 35 1 1 {} {0.467271834929 0.578154974244 0.411138376504} H21 36 1 6 {} {0.652964740432 0.638192547975 0.498231940144} C4 37 1 14 {} {0.61361588228 0.574333356672 0.451464016969} Si6 38 1 14 {} {0.650316978124 0.724605463844 0.453248278195} Si7 39 1 8 {} {0.609249100746 0.582724134551 0.341817496491} O5 40 1 8 {} {0.633652196224 0.499685917055 0.474973681141} O6 41 1 6 {} {0.557290359084 0.580146984084 0.503308382185} C5 42 1 6 {} {0.602521887187 0.774961836963 0.498095446776} C6 43 1 8 {} {0.64708860219 0.713142859021 0.342718452366} O7 44 1 8 {} {0.697686557486 0.766409279816 0.469293762245} O8 45 1 14 {} {0.643290259879 0.421471589796 0.447650044674} Si8 46 1 7 {} {0.597915531141 0.369094002213 0.465225845157} N4 47 1 14 {} {0.578362741437 0.319819407574 0.376877411942} Si9 48 1 14 {} {0.572698169161 0.365306048551 0.570823291225} Si10 49 1 7 {} {0.608853447109 0.384635749318 0.658218275797} N5 50 1 7 {} {0.612575357013 0.257169435763 0.338122791339} N6 51 1 1 {} {0.64854808536 0.639295296428 0.571239887634} H22 52 1 1 {} {0.687101290661 0.620014286892 0.485743325078} H23 53 1 1 {} {0.622619556328 0.624141805815 0.318810709193} H24 54 1 1 {} {0.556736959319 0.571295750515 0.575703350946} H25 55 1 1 {} {0.536788883742 0.541388550721 0.471426056247} H26 56 1 1 {} {0.541876718122 0.629099869546 0.490016606763} H27 57 1 1 {} {0.601585810465 0.82538903427 0.468593107519} H28 58 1 1 {} {0.604496219023 0.780603326275 0.571130354651} H29 59 1 1 {} {0.570352887234 0.750933449251 0.483255297112} H30 60 1 1 {} {0.653909342527 0.751048903413 0.30442268242} H31 61 1 1 {} {0.697903689041 0.801210365606 0.5139231819} H32 62 1 1 {} {0.654583510211 0.416351440741 0.350459525367} H33 63 1 1 {} {0.682561032591 0.401091479365 0.502294748088} H34 64 1 1 {} {0.536372928637 0.288504314299 0.409633643831} H35 65 1 1 {} {0.56995014003 0.362951077377 0.297312065319} H36 66 1 1 {} {0.535482284952 0.414443494018 0.579079511348} H37 67 1 1 {} {0.556262100762 0.295423596456 0.583706679461} H38 68 1 1 {} {0.61455296648 0.432945034045 0.673123991789} H39 69 1 1 {} {0.635200512739 0.355833704177 0.671973875216} H40 70 1 1 {} {0.637279129506 0.2682983079 0.2940972942} H41 71 1 1 {} {0.622168716513 0.218825957166 0.37921031357} 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