iterations/neb0_image01_iter22.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_image01
@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 {} {0.349254966801 0.559834304092 0.421626908476} C1 1 1
14 {} {0.33015781124 0.526790588871 0.532672000624} Si1 2 1
14 {} {0.404469347096 0.602020608124 0.417358517251} Si2 3 1
8 {} {0.333491512564 0.587084512179 0.607915175198} O1 4 1
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6 {} {0.453587361607 0.544429348508 0.411154785072} C3 7 1
8 {} {0.406155507983 0.646254888902 0.512566210637} O3 8 1
8 {} {0.404810649568 0.653213105502 0.329816059566} O4 9 1
14 {} {0.224880501347 0.510454360688 0.555317597515} Si3 10 1
7 {} {0.205322220254 0.431721118553 0.586792833374} N1 11 1
14 {} {0.169305913281 0.427493303776 0.678679970353} Si4 12 1
14 {} {0.220925891779 0.361755417077 0.522747566817} Si5 13 1
7 {} {0.222129854361 0.374370982384 0.409216125942} N2 14 1
7 {} {0.12180200737 0.475851705184 0.671562457032} N3 15 1
1 {} {0.348829072765 0.519407288181 0.371571052832} H1 16 1
1 {} {0.324280306702 0.596956924082 0.39963351321} H2 17 1
1 {} {0.357242885067 0.619253240263 0.594846619095} H3 18 1
1 {} {0.358543426531 0.409864307413 0.519623829641} H4 19 1
1 {} {0.349216505202 0.432816096782 0.632628568222} H5 20 1
1 {} {0.397570011912 0.461897638299 0.576358534533} H6 21 1
1 {} {0.485368051746 0.572045523932 0.410418299675} H7 22 1
1 {} {0.452218827004 0.513803598725 0.350235739478} H8 23 1
1 {} {0.454543036432 0.510247543667 0.468588127079} H9 24 1
1 {} {0.431291979885 0.675782895275 0.522782018579} H10 25 1
1 {} {0.433137257807 0.661665285957 0.300802379928} H11 26 1
1 {} {0.219202754973 0.556150734501 0.633316098609} H12 27 1
1 {} {0.199449626364 0.537088380746 0.477560670021} H13 28 1
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1 {} {0.192376745888 0.451854996873 0.76054837192} H15 30 1
1 {} {0.266862013744 0.340065362864 0.547649756562} H16 31 1
1 {} {0.187796047505 0.308344170207 0.543109324728} H17 32 1
1 {} {0.248609370417 0.398193263647 0.381200295974} H18 33 1
1 {} {0.193643639307 0.384887674614 0.375169208639} H19 34 1
1 {} {0.121623554845 0.523475026969 0.69520728533} H20 35 1
1 {} {0.0991481243786 0.469845226962 0.621761228686} H21 36 1
6 {} {0.592707070788 0.322796865545 0.310231612626} C4 37 1
14 {} {0.587906742266 0.356333891666 0.427216583345} Si6 38 1
14 {} {0.576743776483 0.233704616038 0.292342796013} Si7 39 1
8 {} {0.616520609394 0.307273169011 0.495265939835} O5 40 1
8 {} {0.610573593666 0.43140843042 0.432218206779} O6 41 1
6 {} {0.528651294029 0.365111551972 0.463797103637} C5 42 1
6 {} {0.515845747242 0.223053476408 0.268768550529} C6 43 1
8 {} {0.592091627297 0.195083983857 0.386573502366} O7 44 1
8 {} {0.606447235786 0.196668420168 0.212492332384} O8 45 1
14 {} {0.654316034419 0.476188681325 0.460900305876} Si8 46 1
7 {} {0.638801917217 0.557268402859 0.487943609929} N4 47 1
14 {} {0.645242322939 0.584901835426 0.598378004402} Si9 48 1
14 {} {0.614828542678 0.610899001423 0.408954947729} Si10 49 1
7 {} {0.626047456125 0.591423411933 0.299455188123} N5 50 1
7 {} {0.698069548227 0.604741683894 0.634905483102} N6 51 1
1 {} {0.573283433592 0.354553891468 0.264279358462} H22 52 1
1 {} {0.62803431605 0.327901593938 0.290639981075} H23 53 1
1 {} {0.615008904478 0.260142478072 0.477716713559} H24 54 1
1 {} {0.509507598986 0.398111707304 0.41927734789} H25 55 1
1 {} {0.52741598449 0.386509383437 0.531344774489} H26 56 1
1 {} {0.511860254424 0.316201995277 0.466109814932} H27 57 1
1 {} {0.506563617666 0.169918892635 0.264126770108} H28 58 1
1 {} {0.506560444679 0.24719263548 0.205395695588} H29 59 1
1 {} {0.495424403629 0.245916802749 0.321543897733} H30 60 1
1 {} {0.594805842517 0.146745501775 0.384289775975} H31 61 1
1 {} {0.593281384153 0.192719849491 0.153718080094} H32 62 1
1 {} {0.67632319834 0.447452017814 0.541496010649} H33 63 1
1 {} {0.685996684073 0.475805123582 0.384164617389} H34 64 1
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1 {} {0.565022534235 0.610193396996 0.416593279975} H37 67 1
1 {} {0.631885586695 0.679721630128 0.42682586444} H38 68 1
1 {} {0.60951749079 0.553345860034 0.269241351568} H39 69 1
1 {} {0.657525059896 0.595160082364 0.275108840935} H40 70 1
1 {} {0.719475522947 0.567450633569 0.652520977769} H41 71 1
1 {} {0.715046844084 0.643832139407 0.607525627833} H42 72 1
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