#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 {} {0.210272732422 0.52776669944 0.318224501836} C1 1 1 14 {} {0.264192995187 0.490773435791 0.276436507383} Si1 2 1 14 {} {0.163588824775 0.536258653245 0.237231094773} Si2 3 1 8 {} {0.276780829822 0.523827614448 0.178601089725} O1 4 1 8 {} {0.304181177239 0.51106077601 0.347353621824} O2 5 1 6 {} {0.262241278276 0.397605695923 0.269395734972} C2 6 1 6 {} {0.132042337999 0.456546816965 0.219517179922} C3 7 1 8 {} {0.188086166048 0.562079499322 0.142947732331} O3 8 1 8 {} {0.128245030887 0.597349799302 0.264201775033} O4 9 1 14 {} {0.35565836371 0.540011057063 0.352503242587} Si3 10 1 7 {} {0.390375696623 0.477077548409 0.394147713916} N1 11 1 14 {} {0.444664837043 0.47538548937 0.35302738755} Si4 12 1 14 {} {0.370027154397 0.42286400965 0.47693475856} Si5 13 1 7 {} {0.340898020167 0.460666450493 0.56229866706} N2 14 1 7 {} {0.466403427667 0.555197204733 0.358795018362} N3 15 1 1 {} {0.198670629964 0.499146070825 0.376695084212} H1 16 1 1 {} {0.218125298237 0.57859220009 0.342399457417} H2 17 1 1 {} {0.251271452973 0.543990150991 0.147857080822} H3 18 1 1 {} {0.257086245164 0.374602897133 0.335218466598} H4 19 1 1 {} {0.293956790837 0.378553471395 0.242646201155} H5 20 1 1 {} {0.235471838778 0.380491145823 0.224712126319} H6 21 1 1 {} {0.105528897311 0.462734832751 0.169447446651} H7 22 1 1 {} {0.116503336826 0.438789714739 0.281697646816} H8 23 1 1 {} {0.154445916604 0.416736526169 0.195886773184} H9 24 1 1 {} {0.169585699383 0.585183199087 0.0997570857084} H10 25 1 1 {} {0.0998547160114 0.585017824433 0.290251102221} H11 26 1 1 {} {0.372054753985 0.559949470077 0.262650598791} H12 27 1 1 {} {0.354538451016 0.598812849503 0.413531138354} H13 28 1 1 {} {0.468869616566 0.423197573023 0.405797313237} H14 29 1 1 {} {0.446953822078 0.458108122362 0.256423533578} H15 30 1 1 {} {0.33855681254 0.373711839005 0.436627653217} H16 31 1 1 {} {0.409507327358 0.388609485477 0.516174667355} H17 32 1 1 {} {0.309284068813 0.477152277097 0.551371110546} H18 33 1 1 {} {0.356895610107 0.491058862412 0.606301540304} H19 34 1 1 {} {0.489644264193 0.570109079419 0.313515479011} H20 35 1 1 {} {0.47227673848 0.577401479132 0.418657796788} H21 36 1 6 {} {0.649949780012 0.638073635452 0.494427249677} C4 37 1 14 {} {0.610531304806 0.574263019284 0.446632571547} Si6 38 1 14 {} {0.647569744037 0.72471333914 0.449586311895} Si7 39 1 8 {} {0.608040280956 0.58253361062 0.336903825895} O5 40 1 8 {} {0.630172944832 0.499503212819 0.470833453257} O6 41 1 6 {} {0.553599131148 0.580458936784 0.496113200418} C5 42 1 6 {} {0.599980475818 0.775185803244 0.494292132839} C6 43 1 8 {} {0.643302165445 0.71394056521 0.339107700675} O7 44 1 8 {} {0.695152912444 0.766092832588 0.4652454441} O8 45 1 14 {} {0.64074286228 0.421598093093 0.442956304087} Si8 46 1 7 {} {0.595397831415 0.369444700371 0.461061128382} N4 47 1 14 {} {0.575847451609 0.320195996103 0.37250723373} Si9 48 1 14 {} {0.570724236241 0.366115080601 0.567529520936} Si10 49 1 7 {} {0.605948318896 0.384864596173 0.654510269931} N5 50 1 7 {} {0.610880189012 0.257513237793 0.335207755089} N6 51 1 1 {} {0.645797090711 0.639597413899 0.567503470234} H22 52 1 1 {} {0.684003191187 0.619312113677 0.481987467305} H23 53 1 1 {} {0.620447490584 0.624851851105 0.315058532114} H24 54 1 1 {} {0.553580335591 0.570495561506 0.56815426852} H25 55 1 1 {} {0.531814905371 0.543286407598 0.464256718787} H26 56 1 1 {} {0.538996268441 0.630289862558 0.484861694276} H27 57 1 1 {} {0.599222521788 0.825611674427 0.464895631571} H28 58 1 1 {} {0.602032465535 0.780691499738 0.56724367355} H29 59 1 1 {} {0.567907622865 0.751021827687 0.479111467127} H30 60 1 1 {} {0.651289396246 0.751347567829 0.30113853892} H31 61 1 1 {} {0.695528777814 0.801119299458 0.509869606324} H32 62 1 1 {} {0.652284620076 0.416567802637 0.346184069192} H33 63 1 1 {} {0.679943058009 0.401235302503 0.497740560588} H34 64 1 1 {} {0.534083313122 0.288209343157 0.405358385052} H35 65 1 1 {} {0.567676598846 0.363062245127 0.292914765082} H36 66 1 1 {} {0.533534038812 0.415487945374 0.57376665554} H37 67 1 1 {} {0.55354410508 0.296657330225 0.579218252483} H38 68 1 1 {} {0.612527063695 0.433466810494 0.669403530169} H39 69 1 1 {} {0.6329743045 0.355773920298 0.667602385777} H40 70 1 1 {} {0.63549500987 0.268576360935 0.290943453417} H41 71 1 1 {} {0.62041488152 0.219724320266 0.37644556901} 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