#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 {} {0.210753488095 0.527731525373 0.318454467467} C1 1 1 14 {} {0.264518976068 0.490343348829 0.276820613139} Si1 2 1 14 {} {0.164064220117 0.536097239012 0.237769212314} Si2 3 1 8 {} {0.276785010839 0.521920250005 0.177974542728} O1 4 1 8 {} {0.304324487918 0.511539549698 0.34759109421} O2 5 1 6 {} {0.262536713882 0.397170362571 0.270451306023} C2 6 1 6 {} {0.132439301241 0.456483750154 0.220230407232} C3 7 1 8 {} {0.188349656902 0.562259560793 0.143465926721} O3 8 1 8 {} {0.128706975996 0.59685232079 0.265860872174} O4 9 1 14 {} {0.355794625669 0.540194833068 0.353218313087} Si3 10 1 7 {} {0.39014246298 0.476771658652 0.394503850095} N1 11 1 14 {} {0.443809533312 0.474614549147 0.350530850327} Si4 12 1 14 {} {0.370288813257 0.422639501721 0.477589978632} Si5 13 1 7 {} {0.341036810106 0.460304498612 0.563160778536} N2 14 1 7 {} {0.462828328306 0.556246828448 0.351812839827} N3 15 1 1 {} {0.19913365649 0.499275186055 0.37698840039} H1 16 1 1 {} {0.21879117739 0.578542115457 0.342398125513} H2 17 1 1 {} {0.251639444539 0.543745760831 0.147981413752} H3 18 1 1 {} {0.257252378892 0.373911930899 0.336062435313} H4 19 1 1 {} {0.294227567805 0.377976631286 0.243686345477} H5 20 1 1 {} {0.235787817125 0.380403786664 0.225505598499} H6 21 1 1 {} {0.105961002474 0.462975003575 0.170157785218} H7 22 1 1 {} {0.116802971171 0.439064847278 0.282461134322} H8 23 1 1 {} {0.154629618632 0.416378746529 0.196700353871} H9 24 1 1 {} {0.169707566636 0.585417975885 0.100464638002} H10 25 1 1 {} {0.100255455216 0.584073669246 0.291418878908} H11 26 1 1 {} {0.372315859324 0.560204035229 0.263743402619} H12 27 1 1 {} {0.354832568017 0.598839429098 0.414637345308} H13 28 1 1 {} {0.469161356158 0.424692952443 0.40466378582} H14 29 1 1 {} {0.446299624628 0.454775364509 0.254741199037} H15 30 1 1 {} {0.338903089506 0.373285994612 0.437372113558} H16 31 1 1 {} {0.40996965368 0.388472706825 0.516518719854} H17 32 1 1 {} {0.309485996842 0.476816161818 0.551799659833} H18 33 1 1 {} {0.356898583118 0.491138849988 0.606899439317} H19 34 1 1 {} {0.489194865264 0.568133133795 0.312233593757} H20 35 1 1 {} {0.466761781659 0.578516644165 0.412296739308} H21 36 1 6 {} {0.651009165368 0.638894187486 0.493707874928} C4 37 1 14 {} {0.611550484069 0.574941802391 0.448077169411} Si6 38 1 14 {} {0.647495867895 0.72524332212 0.448527969817} Si7 39 1 8 {} {0.606156650156 0.583343549034 0.338732255972} O5 40 1 8 {} {0.631076883722 0.499994433866 0.470606966883} O6 41 1 6 {} {0.555776547253 0.580655221315 0.501395475002} C5 42 1 6 {} {0.599623170238 0.775461742557 0.493181653831} C6 43 1 8 {} {0.643735336457 0.713818611334 0.338072967999} O7 44 1 8 {} {0.694800651444 0.767385723578 0.464141890015} O8 45 1 14 {} {0.640668489435 0.421701203225 0.442807252621} Si8 46 1 7 {} {0.595002025963 0.369903156658 0.46049835041} N4 47 1 14 {} {0.575485532685 0.320643639131 0.371810861604} Si9 48 1 14 {} {0.570363056802 0.365959598424 0.567089606228} Si10 49 1 7 {} {0.605537747879 0.384901977755 0.653938956853} N5 50 1 7 {} {0.610302591779 0.257796945484 0.334122831565} N6 51 1 1 {} {0.646166656589 0.63998650119 0.566656127792} H22 52 1 1 {} {0.685243362098 0.620966726893 0.48154118976} H23 53 1 1 {} {0.619463241558 0.624284665355 0.314810532403} H24 54 1 1 {} {0.555657414948 0.572909187241 0.573731129761} H25 55 1 1 {} {0.536023889489 0.540781898963 0.470445258857} H26 56 1 1 {} {0.539695300218 0.62911443798 0.486749948637} H27 57 1 1 {} {0.598835882356 0.825917351436 0.463945601902} H28 58 1 1 {} {0.60174838819 0.781050912753 0.566170542886} H29 59 1 1 {} {0.567415294419 0.751509940809 0.478399838723} H30 60 1 1 {} {0.651026548906 0.751418049969 0.299917734832} H31 61 1 1 {} {0.695137037845 0.801760151749 0.509508407842} H32 62 1 1 {} {0.651986076644 0.416805215508 0.345912826985} H33 63 1 1 {} {0.67979116843 0.401150438054 0.497676488976} H34 64 1 1 {} {0.533678565449 0.288661271116 0.404574390019} H35 65 1 1 {} {0.567228381599 0.363408515258 0.292105075754} H36 66 1 1 {} {0.532960586682 0.414907922881 0.573995357977} H37 67 1 1 {} {0.55349538815 0.296308316036 0.578513511518} H38 68 1 1 {} {0.612070656278 0.433762572421 0.668502495829} H39 69 1 1 {} {0.632723837856 0.356008658809 0.667307603522} H40 70 1 1 {} {0.634788031782 0.268604018695 0.289671565941} H41 71 1 1 {} {0.61956644292 0.219530318533 0.374794280698} 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