iterations/neb0_image07_iter16.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 {{}}
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@data
6 {} {0.360346411971 0.530749325894 0.423277970333} C1 1 1
14 {} {0.341367669659 0.497693503301 0.53434968705} Si1 2 1
14 {} {0.414937240194 0.574350215394 0.418639048924} Si2 3 1
8 {} {0.344647909544 0.557982649502 0.609568033607} O1 4 1
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8 {} {0.415587714293 0.624523462373 0.330402185495} O4 9 1
14 {} {0.236114559138 0.481294271192 0.556968887444} Si3 10 1
7 {} {0.21649795763 0.402553363222 0.588396136295} N1 11 1
14 {} {0.180475764394 0.398260192554 0.680257237451} Si4 12 1
14 {} {0.232092466369 0.332555842018 0.524405734383} Si5 13 1
7 {} {0.233309805171 0.344996196562 0.410822378131} N2 14 1
7 {} {0.132953030608 0.446609580508 0.673103579472} N3 15 1
1 {} {0.360016358814 0.49031247157 0.373226538695} H1 16 1
1 {} {0.335405999278 0.567776945899 0.401250187481} H2 17 1
1 {} {0.368433421559 0.590117864842 0.596503876592} H3 18 1
1 {} {0.369697349703 0.380708707382 0.521228565146} H4 19 1
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1 {} {0.462508126512 0.486137097333 0.352322148826} H8 23 1
1 {} {0.463914705886 0.484590034784 0.469921382076} H9 24 1
1 {} {0.442522413157 0.646613078596 0.524400813052} H10 25 1
1 {} {0.444306396907 0.632617775784 0.302664174446} H11 26 1
1 {} {0.230364025662 0.526950712352 0.634956231096} H12 27 1
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1 {} {0.203510488667 0.42261634467 0.76214544424} H15 30 1
1 {} {0.278009183381 0.310892723812 0.549338060741} H16 31 1
1 {} {0.19896452928 0.279172341663 0.54475224988} H17 32 1
1 {} {0.259755967373 0.368965485914 0.382892977645} H18 33 1
1 {} {0.204823661392 0.35564389677 0.376838370215} H19 34 1
1 {} {0.132770129353 0.494211700599 0.696847179615} H20 35 1
1 {} {0.110280746798 0.440636675084 0.623322992684} H21 36 1
6 {} {0.581579853693 0.351965669633 0.30858816452} C4 37 1
14 {} {0.577456119557 0.384817504851 0.425835512697} Si6 38 1
14 {} {0.565581772932 0.26291249321 0.290662130003} Si7 39 1
8 {} {0.606110725404 0.336183383269 0.493827516198} O5 40 1
8 {} {0.599291077418 0.460481648586 0.43054579329} O6 41 1
6 {} {0.518774299492 0.391367196472 0.463465505228} C5 42 1
6 {} {0.504689908319 0.252290324115 0.267074854945} C6 43 1
8 {} {0.580769590974 0.22425697685 0.384957130561} O7 44 1
8 {} {0.595266693405 0.225873105674 0.210797379632} O8 45 1
14 {} {0.64306092008 0.505291291374 0.459198981226} Si8 46 1
7 {} {0.62758412388 0.586350456687 0.486511852948} N4 47 1
14 {} {0.634049696637 0.614104051937 0.59666514472} Si9 48 1
14 {} {0.603708165224 0.640109410797 0.407201568314} Si10 49 1
7 {} {0.61481146457 0.620851104604 0.297614454464} N5 50 1
7 {} {0.686910374916 0.63395148241 0.633134235563} N6 51 1
1 {} {0.562137409783 0.383740868941 0.262674943414} H22 52 1
1 {} {0.61687436402 0.357115390622 0.288969101844} H23 53 1
1 {} {0.60390407248 0.289168562712 0.476225781377} H24 54 1
1 {} {0.500552742717 0.42313815678 0.416972035674} H25 55 1
1 {} {0.516567962881 0.415090251086 0.529358160386} H26 56 1
1 {} {0.500964204952 0.343437944761 0.465295185038} H27 57 1
1 {} {0.495379084391 0.199170511491 0.26245534058} H28 58 1
1 {} {0.495424225987 0.276419486404 0.203698169899} H29 59 1
1 {} {0.48427287632 0.275137509226 0.319864585264} H30 60 1
1 {} {0.583565596767 0.175921599503 0.382716138113} H31 61 1
1 {} {0.582087816095 0.221867788138 0.152047201167} H32 62 1
1 {} {0.665148773088 0.476625080915 0.539931326675} H33 63 1
1 {} {0.674845650295 0.50500078108 0.382588646855} H34 64 1
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1 {} {0.553914021994 0.639280128098 0.414912061858} H37 67 1
1 {} {0.620663933365 0.708995505797 0.425364292524} H38 68 1
1 {} {0.598481169004 0.582446453207 0.267643851053} H39 69 1
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1 {} {0.708292865904 0.596661303313 0.650880905532} H41 71 1
1 {} {0.703869273984 0.673061407096 0.60579581422} H42 72 1
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