iterations/neb0_image07_iter20.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_image07
@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 {} {0.360272814522 0.530630140662 0.42329076742} C1 1 1
14 {} {0.341432649557 0.497434609096 0.534442868065} Si1 2 1
14 {} {0.414575274705 0.575299975033 0.418157040977} Si2 3 1
8 {} {0.344755445649 0.557737488448 0.609587454242} O1 4 1
8 {} {0.288615295564 0.475489272753 0.526387288419} O2 5 1
6 {} {0.373124311657 0.421458451046 0.569739386626} C2 6 1
6 {} {0.463463863751 0.519085053269 0.411629518531} C3 7 1
8 {} {0.416951438964 0.617759969494 0.515000432095} O3 8 1
8 {} {0.415133574225 0.625470242141 0.329405746168} O4 9 1
14 {} {0.23618860931 0.481010658701 0.556974740085} Si3 10 1
7 {} {0.216600426709 0.402284888185 0.588394788539} N1 11 1
14 {} {0.180592281917 0.3980066457 0.680271809689} Si4 12 1
14 {} {0.232181346995 0.332292123813 0.524399325573} Si5 13 1
7 {} {0.233398430521 0.34477089144 0.410812594965} N2 14 1
7 {} {0.133071686322 0.446361011872 0.673132152136} N3 15 1
1 {} {0.360191737113 0.490174516159 0.373266477726} H1 16 1
1 {} {0.335235702393 0.567446045001 0.401218935872} H2 17 1
1 {} {0.368546843983 0.589875929257 0.596532634007} H3 18 1
1 {} {0.369789929037 0.380437249701 0.521275315783} H4 19 1
1 {} {0.36046706078 0.403349630499 0.634253017924} H5 20 1
1 {} {0.408838096548 0.432387761039 0.578013725767} H6 21 1
1 {} {0.496099236617 0.544017312716 0.412256570343} H7 22 1
1 {} {0.461817669499 0.486969960324 0.352118814728} H8 23 1
1 {} {0.462513711438 0.486702341738 0.470355724064} H9 24 1
1 {} {0.442628861146 0.646466564476 0.524430198522} H10 25 1
1 {} {0.444326782893 0.632469969965 0.302845408874} H11 26 1
1 {} {0.230464769639 0.526680101585 0.634958089763} H12 27 1
1 {} {0.21073376627 0.507603543334 0.479246817875} H13 28 1
1 {} {0.167701314425 0.326332807208 0.688467606065} H14 29 1
1 {} {0.203632227231 0.422392337101 0.762154576421} H15 30 1
1 {} {0.278107823715 0.310620319934 0.549312157236} H16 31 1
1 {} {0.199056112196 0.278896573585 0.544763676431} H17 32 1
1 {} {0.259859459065 0.368717791432 0.382873679559} H18 33 1
1 {} {0.204910525473 0.355413705556 0.376828123554} H19 34 1
1 {} {0.132883476772 0.493983037905 0.696842065463} H20 35 1
1 {} {0.110391543578 0.440381976335 0.623375846895} H21 36 1
6 {} {0.581604742426 0.352163302036 0.308446509348} C4 37 1
14 {} {0.578075329309 0.384296546564 0.426114263789} Si6 38 1
14 {} {0.565471276998 0.263142471647 0.290600828043} Si7 39 1
8 {} {0.607055229925 0.336008324687 0.4940507477} O5 40 1
8 {} {0.599169066258 0.460695712959 0.430526869635} O6 41 1
6 {} {0.519253882562 0.389571135359 0.463995897031} C5 42 1
6 {} {0.504597165687 0.252574571697 0.267059029261} C6 43 1
8 {} {0.580598576733 0.22452761264 0.384936119216} O7 44 1
8 {} {0.595152849628 0.226122220556 0.210742439299} O8 45 1
14 {} {0.642885848733 0.505457427292 0.459231696028} Si8 46 1
7 {} {0.627428098457 0.586548565641 0.486391728254} N4 47 1
14 {} {0.633983598263 0.614362630817 0.596790879794} Si9 48 1
14 {} {0.603585892452 0.640322246896 0.407323190855} Si10 49 1
7 {} {0.614782453076 0.620855312627 0.297784954419} N5 50 1
7 {} {0.686786862576 0.634298771407 0.633370974559} N6 51 1
1 {} {0.562067493809 0.384032242835 0.262788233202} H22 52 1
1 {} {0.616823800708 0.35735778054 0.288768738488} H23 53 1
1 {} {0.603948524179 0.289074218902 0.47637066344} H24 54 1
1 {} {0.501856241075 0.420738581667 0.415685143336} H25 55 1
1 {} {0.516765914991 0.41471818324 0.529689990188} H26 56 1
1 {} {0.501295381594 0.341548095165 0.466314747552} H27 57 1
1 {} {0.495321678074 0.199424155268 0.262476634583} H28 58 1
1 {} {0.495292802053 0.276658357627 0.203686966528} H29 59 1
1 {} {0.484185614204 0.275352555483 0.319904987029} H30 60 1
1 {} {0.583505769391 0.176221270539 0.382676120607} H31 61 1
1 {} {0.581984230258 0.22212751575 0.151982727288} H32 62 1
1 {} {0.665030439753 0.476890695213 0.539831619094} H33 63 1
1 {} {0.674704673183 0.505252151419 0.382535062455} H34 64 1
1 {} {0.60649008505 0.676382146857 0.603109869848} H35 65 1
1 {} {0.617637384657 0.561430619548 0.658069329996} H36 66 1
1 {} {0.553763751766 0.639573660738 0.414820568719} H37 67 1
1 {} {0.620538791539 0.709249166316 0.425214713407} H38 68 1
1 {} {0.59835073666 0.582795411553 0.2675745015} H39 69 1
1 {} {0.646214850501 0.624665583598 0.273480155187} H40 70 1
1 {} {0.708242512497 0.596879514795 0.650890539083} H41 71 1
1 {} {0.703826334796 0.673396626173 0.605833509509} H42 72 1
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