#MD System 2.0 @Title neb0_image06 @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 {} {0.215899524881 0.52659240521 0.327632585914} C1 1 1 14 {} {0.268755730305 0.488912962873 0.285117451014} Si1 2 1 14 {} {0.16925567841 0.53538647962 0.246750422751} Si2 3 1 8 {} {0.282524955301 0.522776745228 0.18850971542} O1 4 1 8 {} {0.307192581044 0.509806431499 0.357691234754} O2 5 1 6 {} {0.267956081996 0.396317069589 0.27882734518} C2 6 1 6 {} {0.137591365252 0.455495712842 0.228704868042} C3 7 1 8 {} {0.193581998105 0.561304691001 0.152090439934} O3 8 1 8 {} {0.133454025115 0.596104489098 0.273571517863} O4 9 1 14 {} {0.359935511518 0.538058451838 0.362112032677} Si3 10 1 7 {} {0.394136662453 0.474142371559 0.40311508136} N1 11 1 14 {} {0.448517141629 0.470811907197 0.360233289808} Si4 12 1 14 {} {0.374985466695 0.421391979124 0.488148397723} Si5 13 1 7 {} {0.346483563814 0.460845341708 0.571003345253} N2 14 1 7 {} {0.473336739364 0.553031259134 0.358275437119} N3 15 1 1 {} {0.204214514787 0.498065132225 0.38609963125} H1 16 1 1 {} {0.223812425785 0.57759875968 0.351545129065} H2 17 1 1 {} {0.257037676858 0.542766346451 0.157122786171} H3 18 1 1 {} {0.262877729071 0.373747091114 0.344651378302} H4 19 1 1 {} {0.299718578011 0.377694553825 0.252278896706} H5 20 1 1 {} {0.24143628296 0.379277712451 0.234454543729} H6 21 1 1 {} {0.111052589712 0.461507657585 0.178356057984} H7 22 1 1 {} {0.122174363564 0.437657599004 0.291217210984} H8 23 1 1 {} {0.160404039639 0.415878560063 0.205185228096} H9 24 1 1 {} {0.175335821627 0.584232191385 0.10910832329} H10 25 1 1 {} {0.105629215622 0.583986258903 0.299698450327} H11 26 1 1 {} {0.375411189369 0.559093682932 0.270311212004} H12 27 1 1 {} {0.360690561255 0.596978824444 0.422403049885} H13 28 1 1 {} {0.476606043949 0.422715153491 0.415612113271} H14 29 1 1 {} {0.45067222854 0.456419224583 0.266809029056} H15 30 1 1 {} {0.343985866122 0.371730740762 0.446504731522} H16 31 1 1 {} {0.415449685212 0.388221055835 0.523786513619} H17 32 1 1 {} {0.314514133617 0.475460237752 0.559921962336} H18 33 1 1 {} {0.363556978514 0.48921729875 0.6149216016} H19 34 1 1 {} {0.495731205955 0.573938591473 0.317774976351} H20 35 1 1 {} {0.472641694395 0.579437822968 0.421035948619} H21 36 1 6 {} {0.644844896404 0.64265364391 0.485462467055} C4 37 1 14 {} {0.606571115056 0.574996318553 0.438865112104} Si6 38 1 14 {} {0.641770362155 0.727658936886 0.439180489861} Si7 39 1 8 {} {0.601888395295 0.583214331258 0.328409170765} O5 40 1 8 {} {0.626350086074 0.499352566712 0.460621209593} O6 41 1 6 {} {0.549647019424 0.581283336522 0.490889419586} C5 42 1 6 {} {0.594856702058 0.77560569933 0.484976100281} C6 43 1 8 {} {0.638187724387 0.714636603598 0.330301544479} O7 44 1 8 {} {0.688789822083 0.767791181727 0.454751669291} O8 45 1 14 {} {0.635528145547 0.420790175137 0.434686109822} Si8 46 1 7 {} {0.589233161276 0.370366359812 0.449543765621} N4 47 1 14 {} {0.571630651773 0.321855462756 0.365605607346} Si9 48 1 14 {} {0.565013412737 0.36847180366 0.558984016339} Si10 49 1 7 {} {0.600487408004 0.386060744627 0.645184796454} N5 50 1 7 {} {0.604659276089 0.258986425596 0.326041811834} N6 51 1 1 {} {0.642309677921 0.642067482245 0.559141994604} H22 52 1 1 {} {0.677945194768 0.620521567077 0.471560360177} H23 53 1 1 {} {0.614477494751 0.626885495553 0.306855281554} H24 54 1 1 {} {0.550695157766 0.572532198812 0.562837779431} H25 55 1 1 {} {0.528607864526 0.542720206695 0.466456985939} H26 56 1 1 {} {0.533133175943 0.630952670805 0.479195596921} H27 57 1 1 {} {0.594093016704 0.825561874278 0.455147098093} H28 58 1 1 {} {0.596467073325 0.781394221886 0.557849868865} H29 59 1 1 {} {0.563250664307 0.750934972189 0.469281494922} H30 60 1 1 {} {0.645403317274 0.752502408799 0.292440768157} H31 61 1 1 {} {0.689944369852 0.803237358752 0.500793389849} H32 62 1 1 {} {0.64678626882 0.417376584509 0.336285009448} H33 63 1 1 {} {0.674449944996 0.400641417014 0.487739805349} H34 64 1 1 {} {0.528475066548 0.289904738843 0.396396593654} H35 65 1 1 {} {0.561659678494 0.364697803937 0.283142308417} H36 66 1 1 {} {0.528077094568 0.416048406055 0.564432850125} H37 67 1 1 {} {0.548112995537 0.297574685526 0.569592126435} H38 68 1 1 {} {0.606555348278 0.433899519094 0.660180770342} H39 69 1 1 {} {0.627285863098 0.356795634905 0.658051725012} H40 70 1 1 {} {0.629641490904 0.269896244309 0.281313368279} H41 71 1 1 {} {0.614289062056 0.22083106938 0.367027698612} 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