./iterations/neb0_image03_iter17.sci output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
#MD System 2.0
@Title neb0_image03
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6 {} {0.361945817643 0.556244400569 0.413247336239} C1 1 1
14 {} {0.338629543597 0.529659779157 0.523900499574} Si1 2 1
14 {} {0.423591758644 0.56704924372 0.408807704417} Si2 3 1
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8 {} {0.436427641388 0.6186783716 0.32576737339} O4 9 1
14 {} {0.233217034536 0.532417887443 0.558223409622} Si3 10 1
7 {} {0.213534565711 0.454274667306 0.592401895719} N1 11 1
14 {} {0.191071513776 0.44599652742 0.69986897986} Si4 12 1
14 {} {0.214089153685 0.386601722494 0.517297934444} Si5 13 1
7 {} {0.208013324102 0.407898696402 0.406916379284} N2 14 1
7 {} {0.140638801887 0.485063469564 0.719966593759} N3 15 1
1 {} {0.351903214454 0.520506937444 0.36094541026} H1 16 1
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1 {} {0.17650159625 0.341958995722 0.543908243792} H17 32 1
1 {} {0.235006074404 0.422450132312 0.370834165619} H18 33 1
1 {} {0.179993449979 0.431198555376 0.38470520817} H19 34 1
1 {} {0.139862594335 0.534658543917 0.735004626425} H20 35 1
1 {} {0.112602074845 0.471278359356 0.686453603858} H21 36 1
6 {} {0.628938815088 0.636432771 0.349717638264} C4 37 1
14 {} {0.585927646341 0.573898450645 0.387129325881} Si6 38 1
14 {} {0.623283119632 0.724896793025 0.386223627133} Si7 39 1
8 {} {0.53576424603 0.609979514228 0.381691080958} O5 40 1
8 {} {0.586576756132 0.50943087635 0.320008664639} O6 41 1
6 {} {0.596846319328 0.541962374932 0.502049285234} C5 42 1
6 {} {0.641424477011 0.741932873575 0.503431138356} C6 43 1
8 {} {0.568418647686 0.739711177303 0.374705141105} O7 44 1
8 {} {0.651111590428 0.774195840342 0.316383742579} O8 45 1
14 {} {0.580196305256 0.448975462873 0.24710785803} Si8 46 1
7 {} {0.592716127524 0.370931994146 0.290067937142} N4 47 1
14 {} {0.549096950492 0.31463189626 0.313606022434} Si9 48 1
14 {} {0.647279857712 0.345589291871 0.315338456294} Si10 49 1
7 {} {0.688338348863 0.391765793056 0.264219856056} N5 50 1
7 {} {0.52514826647 0.271503534266 0.226701550339} N6 51 1
1 {} {0.662328440494 0.618062671733 0.368482621951} H22 52 1
1 {} {0.628165530519 0.637192181062 0.276057899844} H23 53 1
1 {} {0.538186650499 0.659036513628 0.376954542162} H24 54 1
1 {} {0.628962804703 0.51540274806 0.504764118717} H25 55 1
1 {} {0.570735885081 0.506433882419 0.522354004521} H26 56 1
1 {} {0.597765924346 0.58249386027 0.551626208648} H27 57 1
1 {} {0.636172757643 0.794707586223 0.521608466804} H28 58 1
1 {} {0.677016481172 0.730529534469 0.512800017841} H29 59 1
1 {} {0.622445409954 0.711380889085 0.551187404772} H30 60 1
1 {} {0.557970110455 0.785562199868 0.371823371084} H31 61 1
1 {} {0.668959210634 0.809953787316 0.341460546378} H32 62 1
1 {} {0.532549720274 0.447091012688 0.218366286892} H33 63 1
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1 {} {0.542598514431 0.236062982368 0.192738272673} H42 72 1
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