iterations/neb0_image02_iter23.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_image02
@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 {} {0.351088991213 0.555073493197 0.421949568095} C1 1 1
14 {} {0.331990847992 0.521998976944 0.532982866231} Si1 2 1
14 {} {0.406305140368 0.597219746914 0.417733705364} Si2 3 1
8 {} {0.33536048901 0.582279462754 0.608259125862} O1 4 1
8 {} {0.279137002857 0.499998609671 0.524960348377} O2 5 1
6 {} {0.363686623796 0.446065815784 0.568373721411} C2 6 1
6 {} {0.455414439159 0.539634626573 0.411447663602} C3 7 1
8 {} {0.407937220522 0.641658924475 0.512805861962} O3 8 1
8 {} {0.406662719337 0.648182616699 0.329959905756} O4 9 1
14 {} {0.22675275202 0.505631390638 0.55559244842} Si3 10 1
7 {} {0.207155428691 0.426939238357 0.58701825387} N1 11 1
14 {} {0.171144800879 0.422697520526 0.678920157125} Si4 12 1
14 {} {0.222764480706 0.356958663306 0.522966421959} Si5 13 1
7 {} {0.223990399301 0.369215221056 0.409330331963} N2 14 1
7 {} {0.123600774749 0.470972651916 0.671850690936} N3 15 1
1 {} {0.350659786706 0.514648911225 0.371903963029} H1 16 1
1 {} {0.326143304543 0.592203913232 0.399886467524} H2 17 1
1 {} {0.359089773942 0.614442348355 0.595113089737} H3 18 1
1 {} {0.360367771321 0.405068211158 0.519886460993} H4 19 1
1 {} {0.351037665009 0.427999591769 0.632891801095} H5 20 1
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1 {} {0.487190390683 0.567277278864 0.410688388508} H7 22 1
1 {} {0.453996144634 0.509040382176 0.350485214488} H8 23 1
1 {} {0.456383266358 0.50546170543 0.468871943625} H9 24 1
1 {} {0.433158337351 0.67100040767 0.523062071103} H10 25 1
1 {} {0.434980992029 0.656857469425 0.301127158894} H11 26 1
1 {} {0.221044601598 0.551348507951 0.633557165182} H12 27 1
1 {} {0.201307771515 0.532284627895 0.477844614531} H13 28 1
1 {} {0.158290236477 0.350996193047 0.687120361726} H14 29 1
1 {} {0.194212963078 0.447084209127 0.76079132922} H15 30 1
1 {} {0.268696870174 0.33528848255 0.547924259324} H16 31 1
1 {} {0.189637982702 0.303566177532 0.543377024492} H17 32 1
1 {} {0.250402831117 0.393332121143 0.381492963411} H18 33 1
1 {} {0.195486158829 0.380055938908 0.375457809591} H19 34 1
1 {} {0.123453206081 0.518605366285 0.695454406051} H20 35 1
1 {} {0.100959356208 0.465031527547 0.621988768421} H21 36 1
6 {} {0.590861963121 0.327632514351 0.309985082629} C4 37 1
14 {} {0.586071545478 0.361044538965 0.427010486532} Si6 38 1
14 {} {0.574919183093 0.23854776113 0.292006816455} Si7 39 1
8 {} {0.614693747287 0.312019215 0.495040987501} O5 40 1
8 {} {0.608761710554 0.436112863312 0.432007079811} O6 41 1
6 {} {0.526829053365 0.369884869255 0.463581160292} C5 42 1
6 {} {0.51403383747 0.227842640263 0.268433048575} C6 43 1
8 {} {0.590142138003 0.199875188807 0.386285394439} O7 44 1
8 {} {0.604698554796 0.201731575389 0.212116203725} O8 45 1
14 {} {0.652457018981 0.480949970335 0.460709068405} Si8 46 1
7 {} {0.636950224464 0.56207010294 0.487605309376} N4 47 1
14 {} {0.643436096488 0.589781379346 0.59814395105} Si9 48 1
14 {} {0.61299513518 0.615730877612 0.408754256622} Si10 49 1
7 {} {0.624242387392 0.596236477047 0.299014266684} N5 50 1
7 {} {0.696145567902 0.609629991804 0.634618995033} N6 51 1
1 {} {0.571446679139 0.359400314017 0.264026845225} H22 52 1
1 {} {0.62619499793 0.332744247684 0.290407370392} H23 53 1
1 {} {0.613179978911 0.264872570789 0.477454197663} H24 54 1
1 {} {0.507722509762 0.402867059009 0.419004047438} H25 55 1
1 {} {0.525592326804 0.391331179445 0.531109129404} H26 56 1
1 {} {0.510024478086 0.320987263194 0.465892062501} H27 57 1
1 {} {0.504746096068 0.174715761941 0.263833635953} H28 58 1
1 {} {0.504717002195 0.252002802088 0.20510492775} H29 59 1
1 {} {0.493621301722 0.250691148855 0.321233362389} H30 60 1
1 {} {0.592971014313 0.151549541085 0.383988481785} H31 61 1
1 {} {0.591428870156 0.197531971278 0.153427619472} H32 62 1
1 {} {0.674487612687 0.452253019231 0.541300108375} H33 63 1
1 {} {0.684128504916 0.480619506804 0.383955581015} H34 64 1
1 {} {0.615915160046 0.651804001498 0.604587549489} H35 65 1
1 {} {0.627065912176 0.536729554124 0.659634636061} H36 66 1
1 {} {0.563237388594 0.615037907297 0.41630205822} H37 67 1
1 {} {0.630035796124 0.684554962586 0.426572281755} H38 68 1
1 {} {0.60767979365 0.558105703655 0.268966843928} H39 69 1
1 {} {0.65567632582 0.599988142787 0.274833271151} H40 70 1
1 {} {0.717607814025 0.572333429394 0.652238415218} H41 71 1
1 {} {0.713229859547 0.648706261427 0.607198834963} H42 72 1
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