iterations/neb0_image05_iter13.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_image05
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
WyckoffPosition int -1
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@data
6 {} {0.356647580683 0.54055247689 0.422735242812} C1 1 1
14 {} {0.337568450575 0.507497490978 0.533749264461} Si1 2 1
14 {} {0.41166921122 0.583129427777 0.418387483667} Si2 3 1
8 {} {0.340892315577 0.567803296042 0.608996265094} O1 4 1
8 {} {0.284697532854 0.485606013691 0.525797366736} O2 5 1
6 {} {0.369269293313 0.431561966402 0.569163499887} C2 6 1
6 {} {0.460652176751 0.525856306851 0.412040586918} C3 7 1
8 {} {0.413497006284 0.627071109001 0.513733676217} O3 8 1
8 {} {0.412124997901 0.633802132148 0.330483461318} O4 9 1
14 {} {0.232296481328 0.491160027146 0.556421730004} Si3 10 1
7 {} {0.212737835795 0.412412943389 0.587882594396} N1 11 1
14 {} {0.176702386902 0.408115467071 0.679740200296} Si4 12 1
14 {} {0.228336587099 0.342418354816 0.523873783741} Si5 13 1
7 {} {0.229538272691 0.354883461035 0.410308361359} N2 14 1
7 {} {0.129188035838 0.456459724064 0.672577220989} N3 15 1
1 {} {0.356231730746 0.500122644218 0.372694985455} H1 16 1
1 {} {0.331700134626 0.577652047862 0.400712264162} H2 17 1
1 {} {0.364649957229 0.599938846523 0.595955955647} H3 18 1
1 {} {0.365939276737 0.390554336796 0.520682332209} H4 19 1
1 {} {0.356597334714 0.413490300394 0.633668566648} H5 20 1
1 {} {0.404985374693 0.442529157044 0.577438747588} H6 21 1
1 {} {0.492638905942 0.552834082535 0.411576115644} H7 22 1
1 {} {0.459323036935 0.494889834388 0.351478896954} H8 23 1
1 {} {0.461499644526 0.491862889352 0.469471133602} H9 24 1
1 {} {0.438741573495 0.656414640161 0.523868585401} H10 25 1
1 {} {0.440568330848 0.642411255793 0.302013630136} H11 26 1
1 {} {0.226595579971 0.536811535153 0.634417611008} H12 27 1
1 {} {0.206849313483 0.517731871814 0.47866750332} H13 28 1
1 {} {0.163823298537 0.336401989344 0.687883772445} H14 29 1
1 {} {0.199754947029 0.432462693611 0.761628311491} H15 30 1
1 {} {0.274253952846 0.3207309245 0.548793398925} H16 31 1
1 {} {0.19520443032 0.289018702609 0.544208442588} H17 32 1
1 {} {0.255988683529 0.378804734923 0.382351880699} H18 33 1
1 {} {0.201051142316 0.365491752358 0.376292456382} H19 34 1
1 {} {0.129007504583 0.504055605691 0.696300015328} H20 35 1
1 {} {0.106519849131 0.450466953321 0.622775757902} H21 36 1
6 {} {0.585301719281 0.342158561318 0.309191138167} C4 37 1
14 {} {0.58066250409 0.375484833506 0.426248084734} Si6 38 1
14 {} {0.569355839985 0.253074580435 0.291243521281} Si7 39 1
8 {} {0.609302857093 0.326581241478 0.494214685878} O5 40 1
8 {} {0.603138199063 0.450738128658 0.431111888729} O6 41 1
6 {} {0.521631268943 0.383570102153 0.463065535292} C5 42 1
6 {} {0.508456548553 0.242426695818 0.267645175027} C6 43 1
8 {} {0.584642522771 0.214431269096 0.385490160886} O7 44 1
8 {} {0.599073155339 0.216049333829 0.211397331793} O8 45 1
14 {} {0.646886524886 0.495483477502 0.459779209135} Si8 46 1
7 {} {0.631367219239 0.576532335926 0.486867665751} N4 47 1
14 {} {0.63795396572 0.604290839736 0.597264221149} Si9 48 1
14 {} {0.607460096592 0.630241836572 0.40801182245} Si10 49 1
7 {} {0.618624649513 0.610953738021 0.297970742678} N5 50 1
7 {} {0.690569463658 0.6240398899 0.633643367222} N6 51 1
1 {} {0.565883971586 0.373887147278 0.263201946016} H22 52 1
1 {} {0.620620774936 0.347258059397 0.289578943993} H23 53 1
1 {} {0.607612706166 0.279446829051 0.476683770691} H24 54 1
1 {} {0.502745170429 0.416242872581 0.418159132996} H25 55 1
1 {} {0.520104511133 0.405693897786 0.530114367195} H26 56 1
1 {} {0.504548603089 0.334970867723 0.465300883465} H27 57 1
1 {} {0.499143244544 0.189310118298 0.26301011952} H28 58 1
1 {} {0.49919015643 0.266564695564 0.204271827177} H29 59 1
1 {} {0.488031696263 0.265290582496 0.320408241681} H30 60 1
1 {} {0.587337488946 0.16607162058 0.383254752216} H31 61 1
1 {} {0.585867193546 0.212024233393 0.152636009338} H32 62 1
1 {} {0.668914189034 0.466790150639 0.54046072393} H33 63 1
1 {} {0.678609928151 0.49516074543 0.383127931307} H34 64 1
1 {} {0.610356035573 0.666319264763 0.603837076274} H35 65 1
1 {} {0.621506315608 0.551304146234 0.658863690728} H36 66 1
1 {} {0.557703742973 0.629466517408 0.415460601758} H37 67 1
1 {} {0.624438504221 0.699115124816 0.425874671162} H38 68 1
1 {} {0.602223265726 0.572582540035 0.268186742671} H39 69 1
1 {} {0.650124352262 0.614543275672 0.273972940582} H40 70 1
1 {} {0.712067312936 0.586804660569 0.651432966078} H41 71 1
1 {} {0.707634096323 0.663215102902 0.606333309957} H42 72 1
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