./iterations/neb0_image07_iter8.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_image07
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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@data
6 {} {0.360421067452 0.530796474312 0.4232687521} C1 1 1
14 {} {0.341325429738 0.497803092953 0.53434173105} Si1 2 1
14 {} {0.415170817019 0.573902597789 0.418811884757} Si2 3 1
8 {} {0.344606602905 0.558064657839 0.609550402468} O1 4 1
8 {} {0.288392968209 0.475825803435 0.52637600142} O2 5 1
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8 {} {0.417231025152 0.617333624861 0.514286798637} O3 8 1
8 {} {0.415812082798 0.624063383044 0.330897805335} O4 9 1
14 {} {0.236093860529 0.481351376329 0.556980251812} Si3 10 1
7 {} {0.21646183389 0.402668666885 0.588397915973} N1 11 1
14 {} {0.18042980421 0.398390950151 0.680220073218} Si4 12 1
14 {} {0.232053259166 0.332680819053 0.524384455466} Si5 13 1
7 {} {0.23327172496 0.345079273304 0.410828186407} N2 14 1
7 {} {0.132903815142 0.446696607887 0.673087751479} N3 15 1
1 {} {0.359942353209 0.490357293982 0.373203175091} H1 16 1
1 {} {0.335466836538 0.567916732226 0.401254437577} H2 17 1
1 {} {0.368392599425 0.590217205017 0.596494100261} H3 18 1
1 {} {0.369661387757 0.380812608744 0.52120888007} H4 19 1
1 {} {0.360320479752 0.403746048936 0.634207858017} H5 20 1
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1 {} {0.496262162337 0.542994563823 0.412208211662} H7 22 1
1 {} {0.462811091539 0.485718212226 0.352310109878} H8 23 1
1 {} {0.464490007606 0.4837760543 0.469701926092} H9 24 1
1 {} {0.44246826011 0.646656422295 0.524390057148} H10 25 1
1 {} {0.44427434442 0.632673167818 0.302605021499} H11 26 1
1 {} {0.230326967371 0.527062376733 0.634957702708} H12 27 1
1 {} {0.210593293306 0.507971053662 0.479253060135} H13 28 1
1 {} {0.167541288457 0.32665511923 0.688399534848} H14 29 1
1 {} {0.203463341982 0.422700728792 0.762149563534} H15 30 1
1 {} {0.277974767988 0.310992911563 0.549348589173} H16 31 1
1 {} {0.198929425072 0.279274972966 0.544751323005} H17 32 1
1 {} {0.25971384098 0.369059579446 0.38290543988} H18 33 1
1 {} {0.204799444579 0.355728860434 0.376855825674} H19 34 1
1 {} {0.132728377196 0.494299456036 0.696850885548} H20 35 1
1 {} {0.110244710939 0.440733952662 0.623313475877} H21 36 1
6 {} {0.581579936899 0.351897451057 0.308659516257} C4 37 1
14 {} {0.576997529432 0.384996458105 0.425873230309} Si6 38 1
14 {} {0.565623659095 0.2628100476 0.290679409856} Si7 39 1
8 {} {0.605717366371 0.336281690495 0.493684363651} O5 40 1
8 {} {0.599327848823 0.460411356266 0.430515452489} O6 41 1
6 {} {0.5186832275 0.391985823218 0.463066979537} C5 42 1
6 {} {0.504727214605 0.252183532973 0.267080529797} C6 43 1
8 {} {0.58083761463 0.224141074735 0.384965639907} O7 44 1
8 {} {0.595304844496 0.225781847333 0.210817203375} O8 45 1
14 {} {0.643206739226 0.505231908392 0.459272228183} Si8 46 1
7 {} {0.627556891078 0.586301042042 0.486118990279} N4 47 1
14 {} {0.634269914871 0.614137123607 0.596851401883} Si9 48 1
14 {} {0.603750069683 0.640035057293 0.40764091392} Si10 49 1
7 {} {0.614802770733 0.620903664568 0.297558892252} N5 50 1
7 {} {0.687007013618 0.633810902501 0.632973652752} N6 51 1
1 {} {0.562160544575 0.383634293554 0.262627098068} H22 52 1
1 {} {0.616905044406 0.35701697004 0.289023843991} H23 53 1
1 {} {0.603886543831 0.289218817583 0.476172631981} H24 54 1
1 {} {0.500133721971 0.42386885103 0.417733528054} H25 55 1
1 {} {0.516468965513 0.415236683015 0.529118749147} H26 56 1
1 {} {0.500862784506 0.344378883781 0.464856230401} H27 57 1
1 {} {0.495400834272 0.199075125914 0.262446257474} H28 58 1
1 {} {0.495475500383 0.276326710534 0.20370336181} H29 59 1
1 {} {0.484306599519 0.27505538875 0.319848886215} H30 60 1
1 {} {0.583587627899 0.175818721017 0.382733639757} H31 61 1
1 {} {0.582130027271 0.221768283497 0.152082546594} H32 62 1
1 {} {0.665187170486 0.47652616894 0.539943008274} H33 63 1
1 {} {0.674889062565 0.504913640621 0.382615106435} H34 64 1
1 {} {0.606603240327 0.676134588063 0.603342149229} H35 65 1
1 {} {0.617756723237 0.561020518057 0.658443194566} H36 66 1
1 {} {0.553984869447 0.639160501365 0.414919221473} H37 67 1
1 {} {0.62070935244 0.708875942792 0.425382111322} H38 68 1
1 {} {0.598475999087 0.582189794476 0.267546959298} H39 69 1
1 {} {0.646542988635 0.624308136182 0.273327102979} H40 70 1
1 {} {0.708227923036 0.596712397138 0.650797893595} H41 71 1
1 {} {0.703808249886 0.672765375973 0.605880874568} H42 72 1
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