#MD System 2.0 @Title neb0_image01 @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 {} {0.358221965171 0.546533282829 0.414008008092} C1 1 1 14 {} {0.334847813846 0.520137105853 0.524699777257} Si1 2 1 14 {} {0.419915183976 0.557330274869 0.409772864373} Si2 3 1 8 {} {0.347939724186 0.576851465229 0.600552244463} O1 4 1 8 {} {0.279735339369 0.518738521817 0.51738483518} O2 5 1 6 {} {0.353543697235 0.434866268336 0.55941445309} C2 6 1 6 {} {0.451061757857 0.477054103017 0.395202072694} C3 7 1 8 {} {0.432827639023 0.591885986862 0.508890374953} O3 8 1 8 {} {0.433174202861 0.608934287452 0.327121351158} O4 9 1 14 {} {0.229460070136 0.52302714775 0.558713698098} Si3 10 1 7 {} {0.209804944442 0.444784644614 0.592963706581} N1 11 1 14 {} {0.187424124643 0.436482535857 0.700557602185} Si4 12 1 14 {} {0.210301173539 0.376995018601 0.517991653372} Si5 13 1 7 {} {0.204230206118 0.398115098912 0.407496375517} N2 14 1 7 {} {0.136974804509 0.475567447164 0.720697911334} N3 15 1 1 {} {0.348228129402 0.510763428567 0.36173786662} H1 16 1 1 {} {0.34262971694 0.594848167998 0.396850871279} H2 17 1 1 {} {0.377892401946 0.595029355732 0.591244020881} H3 18 1 1 {} {0.344915263387 0.396259728599 0.510078375479} H4 19 1 1 {} {0.337861057899 0.420897646625 0.623070864989} H5 20 1 1 {} {0.389879699489 0.433562687144 0.569473313174} H6 21 1 1 {} {0.487195322972 0.486391417084 0.392275429244} H7 22 1 1 {} {0.441542071957 0.452645615519 0.332240085541} H8 23 1 1 {} {0.444803947392 0.44156120679 0.449759035969} H9 24 1 1 {} {0.463468764495 0.607125636403 0.515128397641} H10 25 1 1 {} {0.465176355099 0.61219262889 0.315912856696} H11 26 1 1 {} {0.227689753568 0.567090341698 0.63911978392} H12 27 1 1 {} {0.200417659261 0.550962768977 0.487198581488} H13 28 1 1 {} {0.18068145257 0.363403360666 0.714793010326} H14 29 1 1 {} {0.218971323761 0.465636555017 0.766559509072} H15 30 1 1 {} {0.253561513231 0.340392450158 0.523868724877} H16 31 1 1 {} {0.172652098645 0.332490646879 0.544695248893} H17 32 1 1 {} {0.231260747445 0.412812253186 0.371547259701} H18 33 1 1 {} {0.176259315911 0.42164197086 0.385437825201} H19 34 1 1 {} {0.136161328443 0.525180344368 0.735743463854} H20 35 1 1 {} {0.108889589546 0.461678153145 0.687420736524} H21 36 1 6 {} {0.632587978163 0.646010938771 0.348983732066} C4 37 1 14 {} {0.589487746694 0.583454050938 0.386295797676} Si6 38 1 14 {} {0.626967095798 0.734465143857 0.385534292888} Si7 39 1 8 {} {0.539109761638 0.618757571196 0.380388875904} O5 40 1 8 {} {0.590411774467 0.51894643337 0.319344516097} O6 41 1 6 {} {0.600483396599 0.551722179112 0.501335905167} C5 42 1 6 {} {0.645209566652 0.751508568111 0.502661332114} C6 43 1 8 {} {0.572126978709 0.749307030033 0.374155520873} O7 44 1 8 {} {0.654667808727 0.783890891093 0.315596082717} O8 45 1 14 {} {0.58404301452 0.458598330244 0.246252090632} Si8 46 1 7 {} {0.596421175075 0.380528063355 0.289221972844} N4 47 1 14 {} {0.55305426543 0.324324651235 0.312846232883} Si9 48 1 14 {} {0.651233357002 0.355389688513 0.314476998568} Si10 49 1 7 {} {0.692158222139 0.401488747959 0.263475193571} N5 50 1 7 {} {0.528985729423 0.28106506248 0.225672732554} N6 51 1 1 {} {0.665981409268 0.627585052046 0.367682640293} H22 52 1 1 {} {0.63181410214 0.646834362979 0.275330522245} H23 53 1 1 {} {0.541147044433 0.667804359433 0.375812314542} H24 54 1 1 {} {0.632599536203 0.525158685376 0.504243632849} H25 55 1 1 {} {0.574376784152 0.516204995305 0.521713412118} H26 56 1 1 {} {0.601359935431 0.592319696699 0.550813520698} H27 57 1 1 {} {0.639969461797 0.804276526798 0.520868551048} H28 58 1 1 {} {0.680795052441 0.740076100078 0.512030895437} H29 59 1 1 {} {0.626221633571 0.720956748552 0.550397552336} H30 60 1 1 {} {0.561793376264 0.795195902577 0.371064560649} H31 61 1 1 {} {0.672710116663 0.819462998742 0.340576379903} H32 62 1 1 {} {0.536341673243 0.456629382024 0.217533064337} H33 63 1 1 {} {0.613159170487 0.474790267019 0.168653099265} H34 64 1 1 {} {0.572901124438 0.273435317129 0.373834449713} H35 65 1 1 {} {0.516158931833 0.361903646999 0.356065929316} H36 66 1 1 {} {0.660368384726 0.361439229823 0.412177633793} H37 67 1 1 {} {0.654975075465 0.283919886581 0.286504741669} H38 68 1 1 {} {0.705436016991 0.442282756179 0.293639888249} H39 69 1 1 {} {0.695090115627 0.404446143915 0.19612335801} H40 70 1 1 {} {0.506710044677 0.304309735508 0.184881660566} H41 71 1 1 {} {0.546465294762 0.245577536178 0.191740442765} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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