iterations/neb0_image04_iter25.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_image04
@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 {} {0.354795577559 0.545416480584 0.422446730714} C1 1 1
14 {} {0.335744992567 0.512312454876 0.533497644397} Si1 2 1
14 {} {0.409902465774 0.587852535043 0.418180321177} Si2 3 1
8 {} {0.339063821323 0.572575975694 0.608754303072} O1 4 1
8 {} {0.282838759228 0.490247787794 0.525507741017} O2 5 1
6 {} {0.367414828717 0.436387522192 0.568902988068} C2 6 1
6 {} {0.458927234847 0.530395256092 0.411830528896} C3 7 1
8 {} {0.411624721777 0.632004965838 0.513463179218} O3 8 1
8 {} {0.410277149912 0.638840458981 0.330418269707} O4 9 1
14 {} {0.230524616792 0.495901615828 0.556097034028} Si3 10 1
7 {} {0.210856905526 0.417243754404 0.587562022819} N1 11 1
14 {} {0.174857202366 0.412969986582 0.679474889171} Si4 12 1
14 {} {0.226438584294 0.347211178718 0.523586198528} Si5 13 1
7 {} {0.227689873861 0.359482578211 0.409942387549} N2 14 1
7 {} {0.127319137801 0.461253081744 0.672373708759} N3 15 1
1 {} {0.35439788263 0.504976611195 0.37240893497} H1 16 1
1 {} {0.329816999683 0.582495260379 0.400427442782} H2 17 1
1 {} {0.362790610268 0.604752960855 0.595657692804} H3 18 1
1 {} {0.364078498713 0.395385794971 0.520428521942} H4 19 1
1 {} {0.354748980909 0.418345837379 0.633411147341} H5 20 1
1 {} {0.403125945452 0.447395888076 0.577158606989} H6 21 1
1 {} {0.490800413862 0.557820781659 0.41124556475} H7 22 1
1 {} {0.457479961791 0.499623379179 0.351002515039} H8 23 1
1 {} {0.459718243174 0.496384687481 0.469415660827} H9 24 1
1 {} {0.436872985387 0.661337562641 0.523590136924} H10 25 1
1 {} {0.438678031479 0.647279107473 0.301767999004} H11 26 1
1 {} {0.224766408785 0.541637374713 0.634069002786} H12 27 1
1 {} {0.205031237843 0.522571043586 0.478386025608} H13 28 1
1 {} {0.162004932992 0.341256253287 0.687672856356} H14 29 1
1 {} {0.197915963555 0.437374360324 0.761327956787} H15 30 1
1 {} {0.272387002947 0.325572784207 0.548488268495} H16 31 1
1 {} {0.1933069412 0.293824886424 0.543961260155} H17 32 1
1 {} {0.254095532363 0.383616997979 0.382134710832} H18 33 1
1 {} {0.199203166304 0.370344820943 0.376042770046} H19 34 1
1 {} {0.127166942089 0.508876493551 0.695984139117} H20 35 1
1 {} {0.104676551771 0.455322833278 0.622527685552} H21 36 1
6 {} {0.587202874754 0.337308278818 0.309412430727} C4 37 1
14 {} {0.582520323555 0.370634095839 0.426497425071} Si6 38 1
14 {} {0.571212017196 0.24824997475 0.291534645902} Si7 39 1
8 {} {0.61126337714 0.321684043564 0.494455853847} O5 40 1
8 {} {0.604991919364 0.445818413067 0.431401907488} O6 41 1
6 {} {0.523321734498 0.378979720707 0.463199059976} C5 42 1
6 {} {0.510315375181 0.237598994429 0.267975292495} C6 43 1
8 {} {0.586486075739 0.209567868085 0.38577182766} O7 44 1
8 {} {0.600905215888 0.211375753137 0.211582973035} O8 45 1
14 {} {0.648741162968 0.490678195868 0.46010525039} Si8 46 1
7 {} {0.633180201032 0.571743421275 0.487068362532} N4 47 1
14 {} {0.6397523299 0.599524554487 0.597581919472} Si9 48 1
14 {} {0.609266794865 0.625414610817 0.408266909483} Si10 49 1
7 {} {0.620500830202 0.605920489317 0.298608991636} N5 50 1
7 {} {0.692489159734 0.61938035415 0.634163403228} N6 51 1
1 {} {0.56775550613 0.369085608116 0.263504248219} H22 52 1
1 {} {0.622523502684 0.342444800958 0.28978590593} H23 53 1
1 {} {0.609522438941 0.274529213585 0.476963365383} H24 54 1
1 {} {0.504389116424 0.411803689085 0.418225040325} H25 55 1
1 {} {0.521968287432 0.400811258215 0.530490134496} H26 56 1
1 {} {0.506458715386 0.330150742842 0.465585171935} H27 57 1
1 {} {0.501045329606 0.184468773598 0.263336731145} H28 58 1
1 {} {0.501025391555 0.261724189675 0.204600832736} H29 59 1
1 {} {0.489888608169 0.260432440317 0.320761805687} H30 60 1
1 {} {0.58925954717 0.161221162353 0.38346779263} H31 61 1
1 {} {0.587689713145 0.207239865473 0.152851716787} H32 62 1
1 {} {0.670767526654 0.461945708368 0.540736687294} H33 63 1
1 {} {0.680421746191 0.490317091719 0.38340284512} H34 64 1
1 {} {0.612172553396 0.661524059048 0.603969810354} H35 65 1
1 {} {0.623335230282 0.546394085324 0.659045861576} H36 66 1
1 {} {0.559534962995 0.624744856584 0.415702490036} H37 67 1
1 {} {0.626298966366 0.694247484138 0.425990220944} H38 68 1
1 {} {0.603932322833 0.567715860879 0.268295894109} H39 69 1
1 {} {0.652017420997 0.609707526281 0.274237086544} H40 70 1
1 {} {0.713848359792 0.582100524962 0.651642447437} H41 71 1
1 {} {0.709488236821 0.658347294661 0.606717114742} H42 72 1
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