iterations/neb0_image06_iter7.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
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@data
6 {} {0.358504354922 0.535743717612 0.423002600317} C1 1 1
14 {} {0.339447262013 0.502751632252 0.534025166692} Si1 2 1
14 {} {0.413578981032 0.578244836835 0.418680745924} Si2 3 1
8 {} {0.342721680456 0.562975998177 0.609274893955} O1 4 1
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8 {} {0.414001611641 0.628896733115 0.330867707268} O4 9 1
14 {} {0.234233140347 0.486337103396 0.556668371564} Si3 10 1
7 {} {0.214567931186 0.407639473264 0.588133563864} N1 11 1
14 {} {0.178537005927 0.403308007317 0.6799981612} Si4 12 1
14 {} {0.230161851583 0.337630331247 0.524178634576} Si5 13 1
7 {} {0.23138309436 0.349958784633 0.410547617516} N2 14 1
7 {} {0.131012674064 0.451617995365 0.672808842997} N3 15 1
1 {} {0.358049712305 0.495315207089 0.372939251261} H1 16 1
1 {} {0.333572041845 0.572886800147 0.400971261918} H2 17 1
1 {} {0.366495615018 0.595155273485 0.596221799994} H3 18 1
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1 {} {0.494517666829 0.547934481131 0.411823717201} H7 22 1
1 {} {0.461208646989 0.490039420249 0.351740563003} H8 23 1
1 {} {0.463371901655 0.487045874342 0.469699305735} H9 24 1
1 {} {0.440583966336 0.651596450925 0.524136529748} H10 25 1
1 {} {0.442399567435 0.637593817085 0.302275495335} H11 26 1
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1 {} {0.201572644371 0.427646441272 0.761874295935} H15 30 1
1 {} {0.276085172974 0.315950162364 0.549083700651} H16 31 1
1 {} {0.197034117911 0.284226174343 0.544471424381} H17 32 1
1 {} {0.257811634867 0.374000234921 0.382638535595} H18 33 1
1 {} {0.202911700486 0.3606724192 0.376578546532} H19 34 1
1 {} {0.130829514325 0.499212739649 0.696566118889} H20 35 1
1 {} {0.108351516287 0.445684629254 0.623032963164} H21 36 1
6 {} {0.583459938008 0.346927415766 0.308913241869} C4 37 1
14 {} {0.578749893486 0.380333824305 0.425997377206} Si6 38 1
14 {} {0.567514097255 0.257858008869 0.290953813555} Si7 39 1
8 {} {0.607413660008 0.331366738024 0.49393783277} O5 40 1
8 {} {0.601281611752 0.455476011557 0.430854257332} O6 41 1
6 {} {0.519839565346 0.388404741501 0.462788207151} C5 42 1
6 {} {0.506613878254 0.247222814834 0.267343281273} C6 43 1
8 {} {0.582747356271 0.219182280695 0.385243111871} O7 44 1
8 {} {0.597225294122 0.220877915079 0.21107004571} O8 45 1
14 {} {0.645080341546 0.500339184267 0.459574869421} Si8 46 1
7 {} {0.629524927018 0.581396701812 0.486600243442} N4 47 1
14 {} {0.635957347701 0.609058150504 0.596924074548} Si9 48 1
14 {} {0.605666536685 0.635105827931 0.407472520405} Si10 49 1
7 {} {0.616650573271 0.616014108712 0.297852706579} N5 50 1
7 {} {0.688937532036 0.628872438395 0.633199576694} N6 51 1
1 {} {0.564044363094 0.378691896791 0.262925642747} H22 52 1
1 {} {0.618793334087 0.352066520231 0.289307582195} H23 53 1
1 {} {0.605770734155 0.284276517098 0.476425242863} H24 54 1
1 {} {0.500937833189 0.420986208718 0.418031632426} H25 55 1
1 {} {0.518261023733 0.410527108203 0.529760979033} H26 56 1
1 {} {0.502701572864 0.339973932553 0.464977394022} H27 57 1
1 {} {0.497282854934 0.194121121312 0.262710446132} H28 58 1
1 {} {0.497366948105 0.271387961186 0.203976299335} H29 59 1
1 {} {0.486198919766 0.27012310991 0.320102676607} H30 60 1
1 {} {0.585473646289 0.170852629922 0.3830082658} H31 61 1
1 {} {0.584023581607 0.216824763909 0.152385742284} H32 62 1
1 {} {0.6670801331 0.471561978246 0.540240429393} H33 63 1
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1 {} {0.622611361352 0.703925921117 0.425737889795} H38 68 1
1 {} {0.600373897072 0.577241015756 0.267898076036} H39 69 1
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1 {} {0.710137366395 0.591747421573 0.651094943295} H41 71 1
1 {} {0.705727225374 0.667859602146 0.606123282717} H42 72 1
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