iterations/neb0_image01_iter8.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
WyckoffPosition int -1
@end
@data
6 {} {0.3492565818 0.559881891419 0.421634899072} C1 1 1
14 {} {0.330206159163 0.526853748145 0.532674730966} Si1 2 1
14 {} {0.40445776655 0.602019792377 0.417378308245} Si2 3 1
8 {} {0.333471442318 0.587128313065 0.607926186257} O1 4 1
8 {} {0.277229113314 0.504933477826 0.524732130298} O2 5 1
6 {} {0.361870153438 0.450914505071 0.568086153665} C2 6 1
6 {} {0.45357579652 0.544428739716 0.41117934053} C3 7 1
8 {} {0.406129243734 0.646365890416 0.512507098976} O3 8 1
8 {} {0.404813270901 0.653017883141 0.329694764691} O4 9 1
14 {} {0.224953365572 0.510481375341 0.555344088341} Si3 10 1
7 {} {0.20533544168 0.431768004921 0.586785499002} N1 11 1
14 {} {0.169296609531 0.427482218793 0.678647022408} Si4 12 1
14 {} {0.22093915739 0.361756948182 0.522774922089} Si5 13 1
7 {} {0.222139712548 0.374235108958 0.409229670825} N2 14 1
7 {} {0.121774765314 0.475806803779 0.67147796463} N3 15 1
1 {} {0.348823282808 0.519463903331 0.371596888965} H1 16 1
1 {} {0.32432860273 0.597031551887 0.399632563059} H2 17 1
1 {} {0.357262871783 0.619317293165 0.594880564464} H3 18 1
1 {} {0.35853939805 0.409922001758 0.519588684511} H4 19 1
1 {} {0.349195735662 0.432862535862 0.632584095965} H5 20 1
1 {} {0.397584224333 0.461904757568 0.576369255136} H6 21 1
1 {} {0.485377216293 0.572063684123 0.410387408736} H7 22 1
1 {} {0.452170469681 0.513825050878 0.350206687648} H8 23 1
1 {} {0.454548355245 0.510229587014 0.468610923852} H9 24 1
1 {} {0.431347010377 0.675767387403 0.522824764805} H10 25 1
1 {} {0.433173039632 0.661705167416 0.300847181899} H11 26 1
1 {} {0.219202744951 0.556168251187 0.633343498444} H12 27 1
1 {} {0.19946571323 0.537077492448 0.477627733958} H13 28 1
1 {} {0.156416942724 0.355755874119 0.686779907746} H14 29 1
1 {} {0.192339145478 0.451802868389 0.7605327273} H15 30 1
1 {} {0.26685191268 0.34009784838 0.547729326067} H16 31 1
1 {} {0.187801414116 0.308377884558 0.543129240081} H17 32 1
1 {} {0.248595602068 0.398166340591 0.381274718413} H18 33 1
1 {} {0.193669327678 0.384832457383 0.375228197619} H19 34 1
1 {} {0.121600976726 0.523413233061 0.695236699518} H20 35 1
1 {} {0.09912429148 0.469836582526 0.621700158299} H21 36 1
6 {} {0.592697824026 0.322762806623 0.310242382791} C4 37 1
14 {} {0.587932475836 0.356350412877 0.427189763846} Si6 38 1
14 {} {0.576732650194 0.233708023062 0.292339595017} Si7 39 1
8 {} {0.616546619536 0.307243450157 0.495275227123} O5 40 1
8 {} {0.610555675842 0.431347090206 0.432232350367} O6 41 1
6 {} {0.528661187669 0.365050891131 0.463844323786} C5 42 1
6 {} {0.515841218596 0.223063412231 0.268711238814} C6 43 1
8 {} {0.59204941071 0.195048492569 0.3865937856} O7 44 1
8 {} {0.606459358327 0.196667596438 0.21245217587} O8 45 1
14 {} {0.654300024536 0.476238594792 0.46086917961} Si8 46 1
7 {} {0.638804260431 0.557245475441 0.487978692176} N4 47 1
14 {} {0.645201981505 0.584882642478 0.598242022188} Si9 48 1
14 {} {0.614821589295 0.61091025305 0.408901989333} Si10 49 1
7 {} {0.625895854352 0.591838978309 0.299254687421} N5 50 1
7 {} {0.698172311692 0.604699249492 0.634564681716} N6 51 1
1 {} {0.573280477909 0.35452922268 0.264294495253} H22 52 1
1 {} {0.628028496227 0.327901657068 0.290652075782} H23 53 1
1 {} {0.614999640283 0.260124578593 0.477753484477} H24 54 1
1 {} {0.509528084746 0.398040922479 0.419281126246} H25 55 1
1 {} {0.527438518529 0.386506587903 0.531379999752} H26 56 1
1 {} {0.511872410096 0.316139713693 0.466205552951} H27 57 1
1 {} {0.506523402396 0.169958793841 0.264062112134} H28 58 1
1 {} {0.506599631627 0.247227435417 0.205345631754} H29 59 1
1 {} {0.495426885598 0.245967832703 0.321449839475} H30 60 1
1 {} {0.594718614551 0.146703560234 0.384343757765} H31 61 1
1 {} {0.593264063409 0.192678171467 0.15373020434} H32 62 1
1 {} {0.676313549959 0.447409341371 0.541557122953} H33 63 1
1 {} {0.686009256293 0.475789552715 0.38425287494} H34 64 1
1 {} {0.61775638764 0.647042466024 0.605008544595} H35 65 1
1 {} {0.628913631753 0.531938339141 0.66011723178} H36 66 1
1 {} {0.565136397812 0.61008710984 0.416605192935} H37 67 1
1 {} {0.631874679685 0.679754882351 0.42703935463} H38 68 1
1 {} {0.609586722764 0.553119726917 0.269247876582} H39 69 1
1 {} {0.657691245389 0.595194999235 0.274949651456} H40 70 1
1 {} {0.719378683926 0.567579551637 0.652443202181} H41 71 1
1 {} {0.714951884786 0.6436780454 0.607490872242} H42 72 1
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