iterations/neb0_image08_iter6.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
WyckoffPosition int -1
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@data
6 {} {0.362265191057 0.525937067849 0.423545461571} C1 1 1
14 {} {0.34318554975 0.492944687471 0.534563421883} Si1 2 1
14 {} {0.41694265018 0.569117255487 0.419053837569} Si2 3 1
8 {} {0.346467370384 0.553174156854 0.609815581494} O1 4 1
8 {} {0.290259772732 0.470891836976 0.526637702038} O2 5 1
6 {} {0.374847946335 0.416971668977 0.569964651572} C2 6 1
6 {} {0.4653998496 0.51296169475 0.412455049013} C3 7 1
8 {} {0.419092275445 0.612448525512 0.514541498597} O3 8 1
8 {} {0.417664917126 0.619269216021 0.331195357284} O4 9 1
14 {} {0.237959018906 0.47652868457 0.557236519598} Si3 10 1
7 {} {0.218319510166 0.397834213155 0.58868011574} N1 11 1
14 {} {0.182270609891 0.393518202596 0.6805224109} Si4 12 1
14 {} {0.233915011304 0.327818529261 0.524693236495} Si5 13 1
7 {} {0.235135130753 0.340161901263 0.411088757467} N2 14 1
7 {} {0.134753240874 0.441815784002 0.673359193417} N3 15 1
1 {} {0.361794472807 0.485506995814 0.373471061881} H1 16 1
1 {} {0.337324276638 0.563079096196 0.401521666842} H2 17 1
1 {} {0.370238435231 0.585351809133 0.596766404333} H3 18 1
1 {} {0.371518177435 0.375965490467 0.521475430685} H4 19 1
1 {} {0.362178226282 0.398905320816 0.634465191396} H5 20 1
1 {} {0.410564525171 0.427940946711 0.578269087643} H6 21 1
1 {} {0.49808248843 0.538118731071 0.412469566868} H7 22 1
1 {} {0.464622780451 0.480991454617 0.352565291099} H8 23 1
1 {} {0.466159619507 0.479245181588 0.469990157691} H9 24 1
1 {} {0.444323157348 0.641791449424 0.524663527743} H10 25 1
1 {} {0.446129169097 0.627799540732 0.302863651732} H11 26 1
1 {} {0.232179923009 0.522210097617 0.635237752898} H12 27 1
1 {} {0.21244472349 0.503115165658 0.479524490306} H13 28 1
1 {} {0.169393881109 0.321797107596 0.688661425395} H14 29 1
1 {} {0.205316815847 0.417839933162 0.762420563796} H15 30 1
1 {} {0.279837985751 0.306142002754 0.549631646758} H16 31 1
1 {} {0.20078174576 0.274419180241 0.545016386767} H17 32 1
1 {} {0.261561938464 0.364201391092 0.38318407177} H18 33 1
1 {} {0.206660147492 0.350866650709 0.377126259787} H19 34 1
1 {} {0.134575213983 0.489405032861 0.697110628001} H20 35 1
1 {} {0.112096536874 0.435882856125 0.623575936835} H21 36 1
6 {} {0.579711393552 0.356747923054 0.308361936955} C4 37 1
14 {} {0.57520248231 0.389808780743 0.425606452597} Si6 38 1
14 {} {0.563772357517 0.267643731768 0.290460795628} Si7 39 1
8 {} {0.603849424231 0.341133769711 0.493412370673} O5 40 1
8 {} {0.59744894808 0.4652622144 0.430271608177} O6 41 1
6 {} {0.517017463205 0.396623406375 0.463001697738} C5 42 1
6 {} {0.502864180848 0.257039682821 0.26680588253} C6 43 1
8 {} {0.579055871041 0.228988228299 0.384705364988} O7 44 1
8 {} {0.593469666434 0.23068604097 0.210544535807} O8 45 1
14 {} {0.641349721589 0.5101057781 0.459050515568} Si8 46 1
7 {} {0.625747897482 0.591200617222 0.485920054975} N4 47 1
14 {} {0.632287745543 0.618929667803 0.596490498146} Si9 48 1
14 {} {0.601919232807 0.644906973956 0.40708412658} Si10 49 1
7 {} {0.61293318542 0.625810328567 0.297204607872} N5 50 1
7 {} {0.685140786209 0.638662063559 0.632639027855} N6 51 1
1 {} {0.56029437407 0.388500573377 0.262343578421} H22 52 1
1 {} {0.615043387111 0.361882635205 0.288753794742} H23 53 1
1 {} {0.602026271217 0.294068495858 0.475900767968} H24 54 1
1 {} {0.498517146415 0.428301707759 0.417401839286} H25 55 1
1 {} {0.514638431432 0.42005821129 0.528821715965} H26 56 1
1 {} {0.498973630307 0.349205554344 0.464585794259} H27 57 1
1 {} {0.493528549603 0.203937361481 0.262164330235} H28 58 1
1 {} {0.493619876416 0.281198402617 0.203422335091} H29 59 1
1 {} {0.482447346756 0.279931479627 0.319565252564} H30 60 1
1 {} {0.581719823307 0.180657406684 0.382466343661} H31 61 1
1 {} {0.580273522556 0.226631545604 0.151832797436} H32 62 1
1 {} {0.663327654454 0.481373259772 0.539684956498} H33 63 1
1 {} {0.673035460035 0.5097683321 0.382363656283} H34 64 1
1 {} {0.604763077045 0.681024060857 0.603120508975} H35 65 1
1 {} {0.615917261343 0.565890480113 0.658270290013} H36 66 1
1 {} {0.552150634849 0.644000672501 0.41469960629} H37 67 1
1 {} {0.618855636811 0.713723852652 0.425191774924} H38 68 1
1 {} {0.596634590486 0.587059167507 0.267347014605} H39 69 1
1 {} {0.644660960776 0.62917731762 0.273110687079} H40 70 1
1 {} {0.706392790645 0.601547571344 0.650548365422} H41 71 1
1 {} {0.701978901566 0.677670165249 0.605568420432} H42 72 1
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