#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 {} {0.207672701527 0.528234334939 0.314024168086} C1 1 1 14 {} {0.261603838521 0.491256589035 0.272236503342} Si1 2 1 14 {} {0.160986182624 0.536725625233 0.23302100072} Si2 3 1 8 {} {0.274193977481 0.524351144383 0.174425771926} O1 4 1 8 {} {0.301605778597 0.51151601649 0.343141058397} O2 5 1 6 {} {0.259636370304 0.398078586982 0.265190155313} C2 6 1 6 {} {0.129439248602 0.457016678897 0.215281407336} C3 7 1 8 {} {0.185501481325 0.562542198532 0.138751044737} O3 8 1 8 {} {0.125653565492 0.59787772354 0.259969408603} O4 9 1 14 {} {0.353088259165 0.540462124223 0.348315601988} Si3 10 1 7 {} {0.387816660074 0.477544802499 0.389912663189} N1 11 1 14 {} {0.442195290104 0.475934439424 0.348935676806} Si4 12 1 14 {} {0.367433633853 0.423346752731 0.472682237914} Si5 13 1 7 {} {0.338302532478 0.46114029254 0.558102871042} N2 14 1 7 {} {0.464101521863 0.555669940466 0.355028646418} N3 15 1 1 {} {0.19606960481 0.499622794344 0.372506033568} H1 16 1 1 {} {0.215520312339 0.579065636583 0.338193747204} H2 17 1 1 {} {0.248674458866 0.544470503447 0.143653739888} H3 18 1 1 {} {0.254485442011 0.375089039168 0.331025130708} H4 19 1 1 {} {0.291354936164 0.379047765763 0.238428513983} H5 20 1 1 {} {0.232866768149 0.380966546804 0.220495048648} H6 21 1 1 {} {0.102923877919 0.4632104544 0.165226103488} H7 22 1 1 {} {0.113902724379 0.439269259533 0.27746753363} H8 23 1 1 {} {0.151849138957 0.417213619998 0.19166723082} H9 24 1 1 {} {0.166993421438 0.585647942526 0.0955644139141} H10 25 1 1 {} {0.0972622590139 0.58551714598 0.286020731776} H11 26 1 1 {} {0.369458003063 0.560429768442 0.25842940439} H12 27 1 1 {} {0.351935067292 0.599300129385 0.40933225306} H13 28 1 1 {} {0.466261122462 0.423606898864 0.401611389209} H14 29 1 1 {} {0.444353500229 0.458633909914 0.252230080356} H15 30 1 1 {} {0.335954385547 0.374180460771 0.432423210247} H16 31 1 1 {} {0.406899451123 0.389087097428 0.51198110119} H17 32 1 1 {} {0.306687762974 0.477633317701 0.547163379615} H18 33 1 1 {} {0.35430302667 0.491545953586 0.602097306366} H19 34 1 1 {} {0.487079353137 0.570630270297 0.309270028831} H20 35 1 1 {} {0.469939106465 0.577872472554 0.414912852572} H21 36 1 6 {} {0.652522555396 0.63758907108 0.498656051166} C4 37 1 14 {} {0.613057726808 0.57376515915 0.450749823104} Si6 38 1 14 {} {0.650169258469 0.724229786588 0.453797793409} Si7 39 1 8 {} {0.610690647431 0.582045927353 0.341069922888} O5 40 1 8 {} {0.632763853936 0.499025872443 0.4750298} O6 41 1 6 {} {0.556010948389 0.579908897584 0.499977308359} C5 42 1 6 {} {0.60258541908 0.77468677394 0.49852395438} C6 43 1 8 {} {0.645908571452 0.713466992254 0.343310397666} O7 44 1 8 {} {0.697779328996 0.765597583607 0.469470553911} O8 45 1 14 {} {0.643327914128 0.421140431568 0.447134664478} Si8 46 1 7 {} {0.5980133807 0.368950864728 0.465329852752} N4 47 1 14 {} {0.578453948579 0.319688845869 0.376725372192} Si9 48 1 14 {} {0.573297775836 0.365619526058 0.571615587455} Si10 49 1 7 {} {0.608539071879 0.384388839025 0.658671657982} N5 50 1 7 {} {0.613461487569 0.257036606565 0.339416439441} N6 51 1 1 {} {0.648388859257 0.639125460624 0.571734979101} H22 52 1 1 {} {0.686585983856 0.618819017498 0.486196773738} H23 53 1 1 {} {0.623051486814 0.624382904657 0.319261878267} H24 54 1 1 {} {0.556111631302 0.569967206497 0.572101739372} H25 55 1 1 {} {0.534034515112 0.542892178852 0.468145440843} H26 56 1 1 {} {0.541529172352 0.629830307046 0.488996588241} H27 57 1 1 {} {0.601818680876 0.825114855647 0.469120196942} H28 58 1 1 {} {0.604629201093 0.780213492605 0.571468213282} H29 59 1 1 {} {0.570513077972 0.750533586945 0.483326538578} H30 60 1 1 {} {0.653887318415 0.750876604409 0.305346350054} H31 61 1 1 {} {0.698120883244 0.800642941127 0.514081647427} H32 62 1 1 {} {0.654876664669 0.416076327045 0.350386294559} H33 63 1 1 {} {0.682526929386 0.400758428524 0.501935562627} H34 64 1 1 {} {0.536670419822 0.287738354904 0.409600300505} H35 65 1 1 {} {0.570276006557 0.362590561414 0.297154663598} H36 66 1 1 {} {0.536138443383 0.415012809002 0.577990244791} H37 67 1 1 {} {0.55614183564 0.296187037 0.583471922337} H38 68 1 1 {} {0.615121575154 0.433009890244 0.673640961777} H39 69 1 1 {} {0.635580094196 0.355284377784 0.671825605464} H40 70 1 1 {} {0.638078621563 0.268101176156 0.295178788254} H41 71 1 1 {} {0.623009805591 0.219266002569 0.380646802169} 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