iterations/neb0_image08_iter3.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_image08
@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 {} {0.362212590202 0.526055972575 0.423525866029} C1 1 1
14 {} {0.343112185278 0.493057852781 0.53456847338} Si1 2 1
14 {} {0.417386450882 0.56846484096 0.419122079883} Si2 3 1
8 {} {0.346408887433 0.553315458422 0.609808037909} O1 4 1
8 {} {0.29027090555 0.471063984727 0.526617025151} O2 5 1
6 {} {0.374802493219 0.417104261785 0.569958035635} C2 6 1
6 {} {0.46552793505 0.51248868883 0.413057857277} C3 7 1
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8 {} {0.417698823031 0.619166066873 0.331442898561} O4 9 1
14 {} {0.237887138779 0.476654118227 0.557245054725} Si3 10 1
7 {} {0.218268931197 0.397977964476 0.588667432212} N1 11 1
14 {} {0.18221879094 0.39364870445 0.680498457319} Si4 12 1
14 {} {0.233858395009 0.327971125484 0.52469496029} Si5 13 1
7 {} {0.235086341649 0.340305349423 0.411110164796} N2 14 1
7 {} {0.134715559236 0.441940406826 0.673343311889} N3 15 1
1 {} {0.361745582393 0.485634388603 0.37346651031} H1 16 1
1 {} {0.337271314104 0.563234171134 0.401507313418} H2 17 1
1 {} {0.370190318861 0.5854838958 0.596767274612} H3 18 1
1 {} {0.371471183789 0.376099072505 0.521459628045} H4 19 1
1 {} {0.362123531339 0.399041981948 0.634456279784} H5 20 1
1 {} {0.410509641289 0.428072905926 0.578254256769} H6 21 1
1 {} {0.498263683333 0.538199915471 0.412362272373} H7 22 1
1 {} {0.464874529695 0.480313932662 0.351972411728} H8 23 1
1 {} {0.466835751806 0.477818354274 0.470288863469} H9 24 1
1 {} {0.444295242845 0.641928661584 0.52468389349} H10 25 1
1 {} {0.446101826576 0.627905951093 0.302797126649} H11 26 1
1 {} {0.232126058596 0.522341958409 0.635241109724} H12 27 1
1 {} {0.212389575935 0.503243135018 0.479524456272} H13 28 1
1 {} {0.169336805426 0.32191693091 0.688649596763} H14 29 1
1 {} {0.205263068359 0.417961803156 0.762415938528} H15 30 1
1 {} {0.279792786888 0.3062693479 0.549633015837} H16 31 1
1 {} {0.200731487083 0.274543676116 0.545007919641} H17 32 1
1 {} {0.261514248938 0.364330718065 0.383175062888} H18 33 1
1 {} {0.206609109414 0.350995055034 0.377112690379} H19 34 1
1 {} {0.134522518073 0.489538660283 0.697107767338} H20 35 1
1 {} {0.112045173244 0.436015535873 0.623565472512} H21 36 1
6 {} {0.579767129181 0.356619302065 0.308332536018} C4 37 1
14 {} {0.574861422692 0.389821428914 0.42566070769} Si6 38 1
14 {} {0.563820097999 0.267480917168 0.290487583169} Si7 39 1
8 {} {0.603723489328 0.341071889048 0.493348737852} O5 40 1
8 {} {0.597646008357 0.465334345902 0.430318788665} O6 41 1
6 {} {0.516431550384 0.397529356334 0.461645299761} C5 42 1
6 {} {0.502911222565 0.256915826901 0.266801288002} C6 43 1
8 {} {0.579097894906 0.228874044354 0.384701858695} O7 44 1
8 {} {0.593524593274 0.23053497006 0.210569950241} O8 45 1
14 {} {0.641398973564 0.509964663212 0.45911254232} Si8 46 1
7 {} {0.625774721998 0.591122748896 0.485697830901} N4 47 1
14 {} {0.632377774584 0.618820329747 0.596658445793} Si9 48 1
14 {} {0.601987550748 0.644803816575 0.407199187336} Si10 49 1
7 {} {0.613007834782 0.625645945358 0.296921068506} N5 50 1
7 {} {0.68503700518 0.638458408489 0.632551904997} N6 51 1
1 {} {0.560347349736 0.388359763973 0.26238664214} H22 52 1
1 {} {0.615091455183 0.361739005309 0.288763441691} H23 53 1
1 {} {0.602061945829 0.293966067709 0.475892678124} H24 54 1
1 {} {0.497747903632 0.429709033517 0.417833397678} H25 55 1
1 {} {0.514562920452 0.420292481562 0.529497716453} H26 56 1
1 {} {0.499013881536 0.349768635373 0.464439384943} H27 57 1
1 {} {0.493575384389 0.203795479509 0.262163363499} H28 58 1
1 {} {0.493675900474 0.281070443945 0.203440256264} H29 59 1
1 {} {0.482493538872 0.27981437749 0.319556888691} H30 60 1
1 {} {0.581759209951 0.180523916912 0.382475061713} H31 61 1
1 {} {0.580320950846 0.226496470922 0.1518345401} H32 62 1
1 {} {0.663365830265 0.48124086643 0.539642907138} H33 63 1
1 {} {0.673088121856 0.509632281434 0.382362825442} H34 64 1
1 {} {0.604816938865 0.680922670992 0.603163720557} H35 65 1
1 {} {0.615968433012 0.565741660404 0.658373738782} H36 66 1
1 {} {0.552229447735 0.643858930096 0.414740935477} H37 67 1
1 {} {0.61890523917 0.713546880364 0.425240761713} H38 68 1
1 {} {0.596701119592 0.586968713396 0.267441607957} H39 69 1
1 {} {0.644677531597 0.62905329807 0.2731776349} H40 70 1
1 {} {0.706483027952 0.60137011479 0.650578818662} H41 71 1
1 {} {0.702068879658 0.677599178902 0.605517958465} H42 72 1
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