iterations/neb0_image06_iter12.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_image06
@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 {} {0.358519505227 0.53566579086 0.423028044244} C1 1 1
14 {} {0.33944356473 0.502619655588 0.534026246502} Si1 2 1
14 {} {0.413350881316 0.578664755668 0.418552754394} Si2 3 1
8 {} {0.342788444328 0.562861125344 0.609287707418} O1 4 1
8 {} {0.286581502514 0.480530374894 0.526086457855} O2 5 1
6 {} {0.371132815048 0.426671404746 0.569426794474} C2 6 1
6 {} {0.462152545805 0.521901436028 0.412059668863} C3 7 1
8 {} {0.415357168343 0.622210058606 0.514075443531} O3 8 1
8 {} {0.413907072193 0.629119102167 0.3306145573} O4 9 1
14 {} {0.2342326012 0.486217303696 0.556679800382} Si3 10 1
7 {} {0.214609075748 0.407531477738 0.588149036157} N1 11 1
14 {} {0.178584872693 0.403218197942 0.680019141859} Si4 12 1
14 {} {0.230192644931 0.33752818194 0.524162057018} Si5 13 1
7 {} {0.231424362717 0.349805000146 0.410529651581} N2 14 1
7 {} {0.131051523409 0.451506485959 0.672852902496} N3 15 1
1 {} {0.358095818405 0.495238321351 0.372965151637} H1 16 1
1 {} {0.333585437412 0.572749947755 0.400977693393} H2 17 1
1 {} {0.366531945197 0.595052142946 0.596219477016} H3 18 1
1 {} {0.367804057923 0.385660908475 0.520945390917} H4 19 1
1 {} {0.358469351372 0.4085931576 0.633934071312} H5 20 1
1 {} {0.406851603059 0.437640761822 0.577714175814} H6 21 1
1 {} {0.494434110164 0.547984397026 0.411918000799} H7 22 1
1 {} {0.460976463422 0.490460707631 0.351962707036} H8 23 1
1 {} {0.46284764813 0.488121683777 0.46953418864} H9 24 1
1 {} {0.440620043464 0.651533077663 0.524119718444} H10 25 1
1 {} {0.442433748782 0.637546645502 0.302347406359} H11 26 1
1 {} {0.228485341141 0.531902185733 0.6346530128} H12 27 1
1 {} {0.208752025769 0.512823294054 0.478967351545} H13 28 1
1 {} {0.165707294249 0.331513623847 0.688146488969} H14 29 1
1 {} {0.201628202533 0.427574587619 0.76189127153} H15 30 1
1 {} {0.276116804216 0.315854734582 0.549067749336} H16 31 1
1 {} {0.197069366625 0.284132901184 0.544485855219} H17 32 1
1 {} {0.257839001781 0.373896649441 0.382648411295} H18 33 1
1 {} {0.202942980984 0.360584151714 0.376588201255} H19 34 1
1 {} {0.130876700299 0.499116070132 0.696561503948} H20 35 1
1 {} {0.108393554597 0.445575966284 0.623039154558} H21 36 1
6 {} {0.583431187972 0.347048601671 0.308902740808} C4 37 1
14 {} {0.578942209457 0.380169834367 0.426077196284} Si6 38 1
14 {} {0.567477534059 0.257976252819 0.290923927145} Si7 39 1
8 {} {0.60758137563 0.331395705467 0.494009287195} O5 40 1
8 {} {0.601222510465 0.455574900816 0.430825827388} O6 41 1
6 {} {0.520235551835 0.387568700786 0.463167442419} C5 42 1
6 {} {0.506582977093 0.247328714943 0.267327748535} C6 43 1
8 {} {0.582649539407 0.219282320427 0.38520829893} O7 44 1
8 {} {0.597197671598 0.221040200473 0.211058384621} O8 45 1
14 {} {0.645006548755 0.500352593771 0.459581308173} Si8 46 1
7 {} {0.629451450269 0.581431565369 0.4865894891} N4 47 1
14 {} {0.636083090572 0.609223994907 0.596982669922} Si9 48 1
14 {} {0.605579577013 0.635215876278 0.407792951913} Si10 49 1
7 {} {0.616708538618 0.615868064523 0.297820021941} N5 50 1
7 {} {0.688745048711 0.628996413541 0.633356251025} N6 51 1
1 {} {0.564010836456 0.37879801975 0.262907690338} H22 52 1
1 {} {0.618754263901 0.352172736089 0.289293514738} H23 53 1
1 {} {0.605757861669 0.284319205644 0.476423166741} H24 54 1
1 {} {0.501606215551 0.419766222755 0.417835468516} H25 55 1
1 {} {0.518306746741 0.410436271494 0.529609653433} H26 56 1
1 {} {0.50275156394 0.339449800805 0.465170748801} H27 57 1
1 {} {0.49726158038 0.19421279511 0.262724327554} H28 58 1
1 {} {0.497309942332 0.271465894584 0.20396764347} H29 59 1
1 {} {0.48617719174 0.270185087276 0.320128123107} H30 60 1
1 {} {0.585468527581 0.170946499587 0.382983617762} H31 61 1
1 {} {0.583979755796 0.216926247391 0.152334298677} H32 62 1
1 {} {0.667052758276 0.471672031673 0.540268855195} H33 63 1
1 {} {0.676724877802 0.500066960924 0.382911974899} H34 64 1
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1 {} {0.619630482159 0.556213365082 0.658589762169} H36 66 1
1 {} {0.555804769322 0.634365796983 0.415172021223} H37 67 1
1 {} {0.622572822754 0.704078127953 0.425601765113} H38 68 1
1 {} {0.600339290578 0.577432561003 0.267864647167} H39 69 1
1 {} {0.648278498366 0.619454192982 0.273670952881} H40 70 1
1 {} {0.71014496246 0.591773513907 0.651118800915} H41 71 1
1 {} {0.705742998358 0.66806971658 0.606083577068} H42 72 1
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