#MD System 2.0 @Title neb0_image02 @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 {} {0.360020133663 0.551442260565 0.413694503142} C1 1 1 14 {} {0.336740390805 0.524831715124 0.524375059535} Si1 2 1 14 {} {0.421660040698 0.562276019298 0.409291371886} Si2 3 1 8 {} {0.349854753749 0.581570177948 0.600326781214} O1 4 1 8 {} {0.28165456015 0.522993019789 0.51734025756} O2 5 1 6 {} {0.355633533011 0.439608248553 0.559038632125} C2 6 1 6 {} {0.452875818848 0.482024652057 0.394644549916} C3 7 1 8 {} {0.434594316462 0.597259124714 0.508187259901} O3 8 1 8 {} {0.434675517899 0.613679190401 0.326182001841} O4 9 1 14 {} {0.23135313969 0.527558024368 0.558573835561} Si3 10 1 7 {} {0.21164722408 0.449469664882 0.5928185905} N1 11 1 14 {} {0.189190317896 0.441201449049 0.700256010334} Si4 12 1 14 {} {0.212170420197 0.381829821589 0.517739746787} Si5 13 1 7 {} {0.206111750742 0.403153291297 0.40734419864} N2 14 1 7 {} {0.138745749013 0.480216609194 0.72039622474} N3 15 1 1 {} {0.350003584077 0.515714382057 0.361352411795} H1 16 1 1 {} {0.344401089092 0.599790952105 0.396650383709} H2 17 1 1 {} {0.37974051056 0.599975466974 0.590752602842} H3 18 1 1 {} {0.346920839924 0.401037799969 0.50971600213} H4 19 1 1 {} {0.339916084536 0.425799313854 0.622737409102} H5 20 1 1 {} {0.391984630291 0.438384038271 0.569026874702} H6 21 1 1 {} {0.48896647198 0.491638108371 0.391507420486} H7 22 1 1 {} {0.443293619924 0.457732462227 0.331622194553} H8 23 1 1 {} {0.446723679561 0.446451215727 0.449153806851} H9 24 1 1 {} {0.465357445538 0.61182613237 0.514357948425} H10 25 1 1 {} {0.466679900115 0.616263517754 0.314957023935} H11 26 1 1 {} {0.229616785269 0.571794925252 0.638823984914} H12 27 1 1 {} {0.202462498312 0.55573760581 0.486953247003} H13 28 1 1 {} {0.182493298262 0.368123328801 0.714505462038} H14 29 1 1 {} {0.220718298729 0.47039374909 0.766279397021} H15 30 1 1 {} {0.255445539901 0.345285846316 0.523522695703} H16 31 1 1 {} {0.174597867244 0.337159070554 0.544320408025} H17 32 1 1 {} {0.233117299007 0.417672243169 0.371240784415} H18 33 1 1 {} {0.178101847677 0.426412198033 0.385097203567} H19 34 1 1 {} {0.137975399155 0.529824184426 0.735394575455} H20 35 1 1 {} {0.110718630193 0.466477252305 0.686855193793} H21 36 1 6 {} {0.630794708777 0.641191189959 0.349344069317} C4 37 1 14 {} {0.587715044701 0.578671699313 0.386709811792} Si6 38 1 14 {} {0.62515345493 0.729671111531 0.385815742322} Si7 39 1 8 {} {0.537460377034 0.614441089804 0.381239337302} O5 40 1 8 {} {0.588442058072 0.514233405097 0.31964634594} O6 41 1 6 {} {0.598748513137 0.546740446571 0.501632718813} C5 42 1 6 {} {0.643335395935 0.746731217933 0.503011109383} C6 43 1 8 {} {0.57030700592 0.744496237747 0.374293093133} O7 44 1 8 {} {0.652987118608 0.779008989984 0.316001944392} O8 45 1 14 {} {0.582094940527 0.453816846598 0.246611844925} Si8 46 1 7 {} {0.594590408263 0.375758672002 0.289626694816} N4 47 1 14 {} {0.55098730076 0.319461770115 0.313251563757} Si9 48 1 14 {} {0.649175329084 0.350409283405 0.314941979207} Si10 49 1 7 {} {0.690225819519 0.396589814218 0.263832531942} N5 50 1 7 {} {0.527029852345 0.276283876974 0.226311393828} N6 51 1 1 {} {0.664210912492 0.622851919089 0.368104268373} H22 52 1 1 {} {0.63006391526 0.641991022854 0.275671366076} H23 53 1 1 {} {0.539789556317 0.66349246713 0.376438890737} H24 54 1 1 {} {0.630873423101 0.52018340989 0.504367677649} H25 55 1 1 {} {0.572649954956 0.511212368163 0.521976061813} H26 56 1 1 {} {0.599670462087 0.587268850378 0.551200912352} H27 57 1 1 {} {0.638074189672 0.799496059605 0.521204617814} H28 58 1 1 {} {0.678930721557 0.735333087783 0.512395526022} H29 59 1 1 {} {0.624352085563 0.716192375578 0.550772892741} H30 60 1 1 {} {0.559888839474 0.79035795515 0.371435286442} H31 61 1 1 {} {0.670848567598 0.814743726222 0.341082240513} H32 62 1 1 {} {0.534436957807 0.451875375505 0.217954071289} H33 63 1 1 {} {0.61132961595 0.469899665292 0.169148733043} H34 64 1 1 {} {0.5709400644 0.268690461155 0.374385454892} H35 65 1 1 {} {0.514183997946 0.357395196437 0.356491495095} H36 66 1 1 {} {0.658445867552 0.356491506606 0.412509427642} H37 67 1 1 {} {0.652967571413 0.278972919627 0.286859808676} H38 68 1 1 {} {0.703474979101 0.437401810052 0.294156457954} H39 69 1 1 {} {0.693192082068 0.399547001673 0.196455904019} H40 70 1 1 {} {0.504886981815 0.299579463872 0.185307910682} H41 71 1 1 {} {0.54450126169 0.240846899406 0.192326392693} 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