./iterations/neb0_image02_iter15.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_image02
@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 {} {0.351095007379 0.555072286875 0.421932814629} C1 1 1
14 {} {0.332000817654 0.52203260567 0.532964097642} Si1 2 1
14 {} {0.406321228868 0.597211769546 0.417711425586} Si2 3 1
8 {} {0.335342386224 0.582324878094 0.608230562346} O1 4 1
8 {} {0.279151408342 0.500046307799 0.524978819803} O2 5 1
6 {} {0.363699769259 0.446096689801 0.56835525529} C2 6 1
6 {} {0.455419199662 0.539616843299 0.411438645966} C3 7 1
8 {} {0.407947068382 0.641637255275 0.512795411728} O3 8 1
8 {} {0.406667578209 0.648137290426 0.329927020176} O4 9 1
14 {} {0.226761725299 0.505663013164 0.555623351284} Si3 10 1
7 {} {0.207171723213 0.426951096635 0.587046442261} N1 11 1
14 {} {0.171135857194 0.422672925802 0.678905466606} Si4 12 1
14 {} {0.222772162839 0.356961859078 0.523017997579} Si5 13 1
7 {} {0.223993593091 0.369276748206 0.409418657255} N2 14 1
7 {} {0.123607411558 0.470969188558 0.671784731914} N3 15 1
1 {} {0.350659148402 0.514657745912 0.371880932674} H1 16 1
1 {} {0.326163677559 0.592229353317 0.39988592125} H2 17 1
1 {} {0.359095874974 0.614476220981 0.595143105002} H3 18 1
1 {} {0.360375531162 0.40509736077 0.519859981074} H4 19 1
1 {} {0.35103189084 0.428032903928 0.632865825686} H5 20 1
1 {} {0.399412796235 0.457090436576 0.576632786299} H6 21 1
1 {} {0.487198241988 0.567260461643 0.41066907349} H7 22 1
1 {} {0.45399428557 0.509023152402 0.35046997574} H8 23 1
1 {} {0.456385455586 0.505443818629 0.468868634784} H9 24 1
1 {} {0.433182660512 0.670958624916 0.52307891374} H10 25 1
1 {} {0.434999745619 0.6568821166 0.301136398342} H11 26 1
1 {} {0.221042210902 0.551349865651 0.633589963532} H12 27 1
1 {} {0.201308743727 0.53226812419 0.477891646203} H13 28 1
1 {} {0.158267133988 0.350970738009 0.687061979526} H14 29 1
1 {} {0.194188494163 0.447018098348 0.7608033448} H15 30 1
1 {} {0.268694661275 0.335287940838 0.54798318534} H16 31 1
1 {} {0.189644756026 0.303572809203 0.543388837521} H17 32 1
1 {} {0.250418636216 0.393338911343 0.381536267672} H18 33 1
1 {} {0.195501796937 0.380027282091 0.375485055172} H19 34 1
1 {} {0.123442701451 0.51858016848 0.695485445955} H20 35 1
1 {} {0.100953111939 0.465025649868 0.621956226488} H21 36 1
6 {} {0.590861317115 0.327612706312 0.30997478108} C4 37 1
14 {} {0.586073629616 0.361070114153 0.426980229878} Si6 38 1
14 {} {0.5749140464 0.238528967903 0.292036641803} Si7 39 1
8 {} {0.614703654986 0.312054359284 0.495019246876} O5 40 1
8 {} {0.608748431863 0.436148712999 0.43198136101} O6 41 1
6 {} {0.526830257826 0.36986975375 0.463584621734} C5 42 1
6 {} {0.514022068817 0.227867693263 0.268431001781} C6 43 1
8 {} {0.590160983723 0.199860031726 0.386302072788} O7 44 1
8 {} {0.604652095701 0.201601751782 0.212163004037} O8 45 1
14 {} {0.652446603564 0.480968340867 0.460661572991} Si8 46 1
7 {} {0.636955741108 0.562071678747 0.487665078408} N4 47 1
14 {} {0.643388348275 0.589733876897 0.598087216921} Si9 48 1
14 {} {0.613013427182 0.615754142875 0.408639902386} Si10 49 1
7 {} {0.624182493195 0.596458396092 0.29876534103} N5 50 1
7 {} {0.696130233852 0.609535222164 0.634387088657} N6 51 1
1 {} {0.571440377542 0.359364291465 0.264023471671} H22 52 1
1 {} {0.626187312679 0.332726259936 0.290396641228} H23 53 1
1 {} {0.613164785027 0.264910440646 0.477475072679} H24 54 1
1 {} {0.50770887352 0.402838766217 0.419018670178} H25 55 1
1 {} {0.525600227069 0.391326934062 0.531113881183} H26 56 1
1 {} {0.510034217999 0.32096257645 0.465933183555} H27 57 1
1 {} {0.50469740565 0.174754297024 0.263800830063} H28 58 1
1 {} {0.504747764578 0.252037726995 0.205078975717} H29 59 1
1 {} {0.493598448706 0.250755350366 0.321182632461} H30 60 1
1 {} {0.592899938936 0.151526490194 0.384053976428} H31 61 1
1 {} {0.591419130338 0.197503297078 0.153444400617} H32 62 1
1 {} {0.674474175583 0.452236001322 0.541292245821} H33 63 1
1 {} {0.684155569271 0.480613456307 0.383978485606} H34 64 1
1 {} {0.615924325313 0.651841408721 0.604706055538} H35 65 1
1 {} {0.627074014704 0.536765064434 0.659792699394} H36 66 1
1 {} {0.563265141971 0.614940995693 0.41633387302} H37 67 1
1 {} {0.630026858597 0.684573123005 0.426736969549} H38 68 1
1 {} {0.607771119607 0.558068253317 0.269064478379} H39 69 1
1 {} {0.655691538976 0.600006261175 0.274821495716} H40 70 1
1 {} {0.717611352803 0.57229538657 0.6522350431} H41 71 1
1 {} {0.713207563667 0.648681657782 0.60711986351} H42 72 1
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