./neb0_image06.sci output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
#MD System 2.0
@Title neb0_image06
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
WyckoffPosition int -1
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@data
6 {} {0.358441254373 0.535733986001 0.422981120433} C1 1 1
14 {} {0.339532441751 0.502461423985 0.534095449981} Si1 2 1
14 {} {0.413196227056 0.579267172269 0.418216406168} Si2 3 1
8 {} {0.342849245365 0.562669270196 0.60935711345} O1 4 1
8 {} {0.286635150697 0.480307207924 0.526101171839} O2 5 1
6 {} {0.371196922362 0.426484127505 0.569425656878} C2 6 1
6 {} {0.462126226747 0.522383872455 0.411918216721} C3 7 1
8 {} {0.415150534925 0.622606789922 0.514171575495} O3 8 1
8 {} {0.41354524296 0.630028657251 0.330233361816} O4 9 1
14 {} {0.234334953286 0.486032183673 0.5566485324} Si3 10 1
7 {} {0.214656394788 0.407362217042 0.588132438045} N1 11 1
14 {} {0.178658843404 0.403062884579 0.680059621229} Si4 12 1
14 {} {0.230241932017 0.337345183093 0.524151798988} Si5 13 1
7 {} {0.231471355484 0.349588698941 0.410499583223} N2 14 1
7 {} {0.131117525458 0.451328491053 0.672908755309} N3 15 1
1 {} {0.35823181835 0.49522312308 0.372985355403} H1 16 1
1 {} {0.333297491258 0.572544699892 0.400910964778} H2 17 1
1 {} {0.366594610689 0.594874820772 0.59622457911} H3 18 1
1 {} {0.367860293702 0.385470603277 0.52095929541} H4 19 1
1 {} {0.358534279531 0.408427741742 0.633940750894} H5 20 1
1 {} {0.406909418887 0.437468959154 0.577699310871} H6 21 1
1 {} {0.494406131231 0.548796649795 0.411802374002} H7 22 1
1 {} {0.460534381254 0.490966797019 0.351579591471} H8 23 1
1 {} {0.462061463906 0.489030623821 0.470160374642} H9 24 1
1 {} {0.440658508465 0.651495450729 0.524189662961} H10 25 1
1 {} {0.442340127199 0.637549700248 0.30247269284} H11 26 1
1 {} {0.228567059344 0.531748560578 0.634625531627} H12 27 1
1 {} {0.20883412248 0.512660532577 0.478928131683} H13 28 1
1 {} {0.165801254358 0.331345315804 0.6882244249} H14 29 1
1 {} {0.201718851563 0.427463333147 0.761898290357} H15 30 1
1 {} {0.276179337426 0.31568908034 0.549045313767} H16 31 1
1 {} {0.197111218974 0.283957975257 0.544512561923} H17 32 1
1 {} {0.25788571091 0.373720631982 0.382663837371} H18 33 1
1 {} {0.202993067267 0.36043187464 0.376603132596} H19 34 1
1 {} {0.130953242875 0.498957118827 0.696548189067} H20 35 1
1 {} {0.108477919784 0.44539536584 0.623082933001} H21 36 1
6 {} {0.58350613879 0.347102200885 0.308838520267} C4 37 1
14 {} {0.579284044874 0.379815217987 0.426411923062} Si6 38 1
14 {} {0.567418171724 0.258112847665 0.29084888268} Si7 39 1
8 {} {0.608422689916 0.331140923876 0.494013653049} O5 40 1
8 {} {0.601161710398 0.455528329197 0.430917325583} O6 41 1
6 {} {0.520277507876 0.38672425971 0.463394514585} C5 42 1
6 {} {0.506517236929 0.247490106 0.267291464173} C6 43 1
8 {} {0.582521036725 0.219436401821 0.38522969831} O7 44 1
8 {} {0.597160770901 0.221276504114 0.210937686515} O8 45 1
14 {} {0.644929609308 0.50053324366 0.459598381187} Si8 46 1
7 {} {0.629353609355 0.581605046098 0.486561183102} N4 47 1
14 {} {0.635980601009 0.609391371971 0.596970965805} Si9 48 1
14 {} {0.605487716479 0.635325364751 0.407667073149} Si10 49 1
7 {} {0.616653077712 0.615816127279 0.298128911788} N5 50 1
7 {} {0.688781484477 0.629305743456 0.633607026882} N6 51 1
1 {} {0.563984487077 0.379007065789 0.263152189941} H22 52 1
1 {} {0.618787144785 0.352301603945 0.288997375986} H23 53 1
1 {} {0.605894332049 0.2840725433 0.476612395917} H24 54 1
1 {} {0.502046133883 0.418738511195 0.416683997422} H25 55 1
1 {} {0.518448576484 0.40994962955 0.529841814082} H26 56 1
1 {} {0.503213100103 0.338098254764 0.466083935227} H27 57 1
1 {} {0.49724786237 0.194355626386 0.262733525847} H28 58 1
1 {} {0.497195301595 0.271613379931 0.203946881833} H29 59 1
1 {} {0.48613549262 0.270312265317 0.320159096972} H30 60 1
1 {} {0.585456506474 0.171133071149 0.38290938463} H31 61 1
1 {} {0.583915510922 0.21709189963 0.152290132162} H32 62 1
1 {} {0.666969237107 0.471824139079 0.540231821015} H33 63 1
1 {} {0.676614120231 0.500194094103 0.38292759812} H34 64 1
1 {} {0.608405374039 0.671399072072 0.603374844031} H35 65 1
1 {} {0.619565632348 0.556293214266 0.65845664608} H36 66 1
1 {} {0.555713151121 0.634606672381 0.415134825997} H37 67 1
1 {} {0.622476995977 0.704168544248 0.425454580488} H38 68 1
1 {} {0.600164902726 0.577598092685 0.267744077644} H39 69 1
1 {} {0.648243412222 0.619639589676 0.273687677126} H40 70 1
1 {} {0.710082355466 0.592015755113 0.651080536655} H41 71 1
1 {} {0.705712382719 0.668228458041 0.606207657423} H42 72 1
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