#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 {} {0.210250681968 0.527747401599 0.318202101253} C1 1 1 14 {} {0.264191822451 0.490782294267 0.276351420419} Si1 2 1 14 {} {0.163544537247 0.536272590194 0.237232416692} Si2 3 1 8 {} {0.27681571081 0.523996275195 0.178612125585} O1 4 1 8 {} {0.304135623609 0.511049604342 0.347370855302} O2 5 1 6 {} {0.262216332039 0.397584077751 0.269341616897} C2 6 1 6 {} {0.13201795518 0.456544892618 0.219451175376} C3 7 1 8 {} {0.188048121722 0.562065389342 0.142928363444} O3 8 1 8 {} {0.128199295748 0.597440918576 0.264060824926} O4 9 1 14 {} {0.355634984614 0.539959673859 0.352417788094} Si3 10 1 7 {} {0.390381085668 0.477052708114 0.394053195299} N1 11 1 14 {} {0.444829637571 0.475528184569 0.353220801253} Si4 12 1 14 {} {0.369995331357 0.422866149563 0.476852522106} Si5 13 1 7 {} {0.340882181575 0.46070004538 0.562258915898} N2 14 1 7 {} {0.466801622923 0.555262513927 0.359406850532} N3 15 1 1 {} {0.198631963729 0.499154799549 0.376709661433} H1 16 1 1 {} {0.218064317486 0.578586256554 0.342404648572} H2 17 1 1 {} {0.251232958909 0.543982362443 0.147870971876} H3 18 1 1 {} {0.257060613428 0.374650648635 0.33522983803} H4 19 1 1 {} {0.293942180177 0.378612392293 0.242543775933} H5 20 1 1 {} {0.235440231762 0.380488153307 0.224628673606} H6 21 1 1 {} {0.105495620415 0.462705798682 0.169402774942} H7 22 1 1 {} {0.116485086404 0.438779731648 0.28162186433} H8 23 1 1 {} {0.154425605468 0.41674630413 0.19582489968} H9 24 1 1 {} {0.169570575277 0.585177297741 0.0996872783105} H10 25 1 1 {} {0.099822240551 0.585063098798 0.290169185435} H11 26 1 1 {} {0.372033552727 0.559948323306 0.26248315531} H12 27 1 1 {} {0.354503715696 0.59884579472 0.413508919491} H13 28 1 1 {} {0.468839644601 0.423098803683 0.405836967619} H14 29 1 1 {} {0.446929615855 0.458202632169 0.256401949487} H15 30 1 1 {} {0.338509919392 0.373696580469 0.43659411218} H16 31 1 1 {} {0.40946257718 0.388631893568 0.516170040092} H17 32 1 1 {} {0.309259103991 0.477159738878 0.55132545545} H18 33 1 1 {} {0.356906311764 0.491064295185 0.606291751103} H19 34 1 1 {} {0.489660012614 0.570176357791 0.31334504962} H20 35 1 1 {} {0.472618176696 0.577385982946 0.419369252738} H21 36 1 6 {} {0.649946128745 0.63805686636 0.494503848101} C4 37 1 14 {} {0.610453756462 0.574215683942 0.446568614421} Si6 38 1 14 {} {0.647578106214 0.724692639369 0.449635223591} Si7 39 1 8 {} {0.608187932745 0.582494705853 0.336922180124} O5 40 1 8 {} {0.630138993544 0.499456566597 0.470839266795} O6 41 1 6 {} {0.553353610196 0.580360395126 0.495596228986} C5 42 1 6 {} {0.600003597507 0.775143930485 0.494350685035} C6 43 1 8 {} {0.64325783136 0.713960818021 0.339184403927} O7 44 1 8 {} {0.695225079556 0.76604977784 0.465312303457} O8 45 1 14 {} {0.640766111684 0.421599271534 0.442948502651} Si8 46 1 7 {} {0.595429781695 0.369402718443 0.461063235794} N4 47 1 14 {} {0.575873149175 0.320208019578 0.372556212541} Si9 48 1 14 {} {0.570776498464 0.366111628557 0.567590422778} Si10 49 1 7 {} {0.605969793743 0.384861325818 0.654518725836} N5 50 1 7 {} {0.610924423131 0.257511326911 0.335295413133} N6 51 1 1 {} {0.645806451729 0.639596795357 0.56757916004} H22 52 1 1 {} {0.684006858978 0.619231446733 0.48204336792} H23 53 1 1 {} {0.620487165933 0.624857035813 0.315119678122} H24 54 1 1 {} {0.553534351385 0.570385069528 0.567743199723} H25 55 1 1 {} {0.531272872307 0.543414636555 0.463819777007} H26 56 1 1 {} {0.538932824474 0.630334157568 0.484779647216} H27 57 1 1 {} {0.599257722784 0.825582987377 0.464978880126} H28 58 1 1 {} {0.60206838969 0.780668695076 0.567281283707} H29 59 1 1 {} {0.567941938387 0.750976403512 0.479150098597} H30 60 1 1 {} {0.651309734779 0.751335625654 0.301231276099} H31 61 1 1 {} {0.695553975869 0.80110004307 0.50992853668} H32 62 1 1 {} {0.652312120738 0.416532779345 0.346217386623} H33 63 1 1 {} {0.679943068907 0.401213134667 0.497732400261} H34 64 1 1 {} {0.5341037623 0.288171489012 0.405447161154} H35 65 1 1 {} {0.567717315475 0.36305677589 0.292979362463} H36 66 1 1 {} {0.533587476987 0.415501850004 0.573748950908} H37 67 1 1 {} {0.553553699373 0.296710055457 0.579275587829} H38 68 1 1 {} {0.612555911393 0.433452709201 0.669482142887} H39 69 1 1 {} {0.632983538315 0.35575245595 0.667608559614} H40 70 1 1 {} {0.635544210543 0.268560387175 0.291048517923} H41 71 1 1 {} {0.620480724483 0.219732778236 0.376546687432} 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