./iterations/neb0_image04_iter11.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_image04
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
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@data
6 {} {0.363838263296 0.56106664052 0.412874787434} C1 1 1
14 {} {0.340537343987 0.534428839928 0.523535619081} Si1 2 1
14 {} {0.425624069751 0.571697058597 0.40846034712} Si2 3 1
8 {} {0.353651069766 0.591192000713 0.599522797042} O1 4 1
8 {} {0.285541473268 0.532610691359 0.516533021508} O2 5 1
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8 {} {0.438290367915 0.606965299048 0.507509279881} O3 8 1
8 {} {0.438131419237 0.623730803954 0.325253640694} O4 9 1
14 {} {0.235109090669 0.537053561607 0.5577824335} Si3 10 1
7 {} {0.215435166288 0.459111205005 0.592023745104} N1 11 1
14 {} {0.192949256542 0.450851362152 0.699325551256} Si4 12 1
14 {} {0.215969284267 0.391532714638 0.516947223902} Si5 13 1
7 {} {0.209899662849 0.412647767225 0.406522063722} N2 14 1
7 {} {0.142520676084 0.489824279692 0.719646920357} N3 15 1
1 {} {0.353801248827 0.525337317346 0.360568958107} H1 16 1
1 {} {0.348193627621 0.609402292836 0.395859486989} H2 17 1
1 {} {0.383508843522 0.609558925381 0.589929100246} H3 18 1
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1 {} {0.44697817982 0.467192731629 0.3307594141} H8 23 1
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1 {} {0.4691287805 0.621127577157 0.513497617897} H10 25 1
1 {} {0.470151311879 0.625028415731 0.313961788309} H11 26 1
1 {} {0.233403583331 0.581413224432 0.63805347421} H12 27 1
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1 {} {0.259260751015 0.35486586591 0.522730478909} H16 31 1
1 {} {0.178399944394 0.346742270207 0.543526583326} H17 32 1
1 {} {0.236900351383 0.427266630345 0.370462742613} H18 33 1
1 {} {0.181907314155 0.436004393616 0.38432247934} H19 34 1
1 {} {0.141770941582 0.539438201515 0.734596219148} H20 35 1
1 {} {0.114510477935 0.4760866274 0.686046493923} H21 36 1
6 {} {0.627053825386 0.631583838472 0.350084011094} C4 37 1
14 {} {0.584261131882 0.569080264743 0.387630873034} Si6 38 1
14 {} {0.621416146468 0.720144593259 0.386629458309} Si7 39 1
8 {} {0.534146172328 0.605621134897 0.382111970731} O5 40 1
8 {} {0.584701534412 0.504653760233 0.320371379037} O6 41 1
6 {} {0.594957099376 0.537142945978 0.502441522553} C5 42 1
6 {} {0.63953775999 0.737136458977 0.503796754595} C6 43 1
8 {} {0.566509542709 0.734860776652 0.375107002447} O7 44 1
8 {} {0.649184860927 0.769420049908 0.316776976757} O8 45 1
14 {} {0.578196318033 0.444289756837 0.247374668969} Si8 46 1
7 {} {0.590793774407 0.366107626592 0.290448323881} N4 47 1
14 {} {0.54718218259 0.309867154452 0.314264603427} Si9 48 1
14 {} {0.645419393555 0.340740643356 0.315814157478} Si10 49 1
7 {} {0.686427831797 0.386996033232 0.264604593897} N5 50 1
7 {} {0.523259999885 0.266699588234 0.227042132524} N6 51 1
1 {} {0.66040759169 0.613264439374 0.368874136257} H22 52 1
1 {} {0.626277047383 0.632390570487 0.276466583652} H23 53 1
1 {} {0.536556665676 0.65459813424 0.377449689402} H24 54 1
1 {} {0.627070815568 0.510611948224 0.505126655191} H25 55 1
1 {} {0.568848328348 0.50162916459 0.522750766198} H26 56 1
1 {} {0.595887459371 0.577673154808 0.552028310863} H27 57 1
1 {} {0.634272329632 0.789910363555 0.521998911484} H28 58 1
1 {} {0.675127162233 0.725736003129 0.513194004062} H29 59 1
1 {} {0.620556032013 0.7065907309 0.551580201308} H30 60 1
1 {} {0.556087730211 0.780737375972 0.37220918625} H31 61 1
1 {} {0.667057596257 0.805148886024 0.341848222626} H32 62 1
1 {} {0.530644886641 0.442278099695 0.218751290723} H33 63 1
1 {} {0.607518510033 0.460287145328 0.170044727014} H34 64 1
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1 {} {0.654641437835 0.346888691453 0.413294083497} H37 67 1
1 {} {0.649167738558 0.26936478842 0.287640102572} H38 68 1
1 {} {0.699680549076 0.427793280015 0.294954454006} H39 69 1
1 {} {0.689395315821 0.389944403956 0.197231200562} H40 70 1
1 {} {0.501082513187 0.289972116919 0.186111971879} H41 71 1
1 {} {0.540699097056 0.23123329505 0.193115739988} H42 72 1
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