./iterations/neb0_image03_iter47.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
@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 {} {0.361894217112 0.556205461781 0.413206907613} C1 1 1
14 {} {0.338659014886 0.52980874803 0.52391154456} Si1 2 1
14 {} {0.423480827598 0.566760504613 0.409045691298} Si2 3 1
8 {} {0.3518093006 0.586455308289 0.599862829872} O1 4 1
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6 {} {0.454481244268 0.486276989767 0.394372767425} C3 7 1
8 {} {0.436526784758 0.60160559499 0.508025360004} O3 8 1
8 {} {0.436561169496 0.61822933675 0.326031604314} O4 9 1
14 {} {0.233309977121 0.532698213997 0.55809021993} Si3 10 1
7 {} {0.213710803773 0.4545548736 0.592259283824} N1 11 1
14 {} {0.191240655629 0.446222976907 0.699752315313} Si4 12 1
14 {} {0.214148248137 0.386819351068 0.517151209632} Si5 13 1
7 {} {0.208045842871 0.407895669636 0.406670502579} N2 14 1
7 {} {0.140788705494 0.485230164585 0.720001632853} N3 15 1
1 {} {0.35194767801 0.520445912154 0.360883962706} H1 16 1
1 {} {0.346397912604 0.604592452169 0.396092359004} H2 17 1
1 {} {0.381741627949 0.60473064832 0.590388018305} H3 18 1
1 {} {0.348780046213 0.405886370494 0.509259944279} H4 19 1
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1 {} {0.444934149538 0.461919185282 0.331380639135} H8 23 1
1 {} {0.448140253154 0.450906982437 0.449021636765} H9 24 1
1 {} {0.46742947132 0.615563169799 0.513902870145} H10 25 1
1 {} {0.468537937198 0.618969612672 0.314072500065} H11 26 1
1 {} {0.231554652698 0.576908908897 0.638486410386} H12 27 1
1 {} {0.204261068807 0.560765703613 0.48652794096} H13 28 1
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1 {} {0.257393552634 0.350132809291 0.52302394304} H16 31 1
1 {} {0.176492107628 0.342329963664 0.543883197659} H17 32 1
1 {} {0.235095235054 0.422675868363 0.370774301992} H18 33 1
1 {} {0.180111069615 0.431447863612 0.384677840842} H19 34 1
1 {} {0.140004167739 0.534866019616 0.734905724722} H20 35 1
1 {} {0.112760264538 0.471390655561 0.686609406922} H21 36 1
6 {} {0.629087558276 0.636361342405 0.349693110367} C4 37 1
14 {} {0.585943314927 0.574013090287 0.387115354177} Si6 38 1
14 {} {0.623342468191 0.724860562971 0.38622811668} Si7 39 1
8 {} {0.536105775176 0.611110508736 0.381694183168} O5 40 1
8 {} {0.586262045504 0.509628077388 0.320101479919} O6 41 1
6 {} {0.596657206149 0.542028973908 0.502087836829} C5 42 1
6 {} {0.641380159493 0.741811738836 0.503469840687} C6 43 1
8 {} {0.568462633476 0.739719218809 0.374877974248} O7 44 1
8 {} {0.651009299578 0.774254676206 0.316300093167} O8 45 1
14 {} {0.580094491669 0.448980200551 0.247186997728} Si8 46 1
7 {} {0.592658507465 0.370927308441 0.290271174772} N4 47 1
14 {} {0.549091036152 0.314539715214 0.313565396302} Si9 48 1
14 {} {0.647264138562 0.345613710228 0.315415669473} Si10 49 1
7 {} {0.688224415373 0.391879927717 0.264195161469} N5 50 1
7 {} {0.525222514681 0.271501179393 0.226500681252} N6 51 1
1 {} {0.662529109349 0.618086859177 0.368218022497} H22 52 1
1 {} {0.628130949383 0.637124989364 0.276049758526} H23 53 1
1 {} {0.539162287893 0.660172444648 0.377344883679} H24 54 1
1 {} {0.628727791774 0.515351201391 0.505178890927} H25 55 1
1 {} {0.570454098526 0.506602499977 0.522273842056} H26 56 1
1 {} {0.597508495263 0.582605662812 0.55161558774} H27 57 1
1 {} {0.6361180154 0.794577818819 0.521671231635} H28 58 1
1 {} {0.676958129583 0.730355511453 0.512902211894} H29 59 1
1 {} {0.622347678087 0.711244130381 0.551145346767} H30 60 1
1 {} {0.557791006513 0.785424020953 0.371849598896} H31 61 1
1 {} {0.668898288309 0.809934818683 0.341297400872} H32 62 1
1 {} {0.532497710952 0.446880640988 0.218330772138} H33 63 1
1 {} {0.609346008955 0.465064707066 0.169789294451} H34 64 1
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1 {} {0.656537625576 0.351721642599 0.412901982899} H37 67 1
1 {} {0.651119437677 0.274218079078 0.287272614668} H38 68 1
1 {} {0.701659530739 0.432521267437 0.294499897681} H39 69 1
1 {} {0.691205622529 0.39476523542 0.196778614653} H40 70 1
1 {} {0.50285293823 0.294554582646 0.185738376925} H41 71 1
1 {} {0.542601630016 0.235915191661 0.192593968248} H42 72 1
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