iterations/neb0_image05_iter2.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 {} {0.356630155223 0.540635519399 0.422693157816} C1 1 1
14 {} {0.337592162311 0.507631998415 0.533748841782} Si1 2 1
14 {} {0.411870351817 0.582754361951 0.418506900008} Si2 3 1
8 {} {0.340832741272 0.567904911658 0.609014580483} O1 4 1
8 {} {0.284673167212 0.485644655479 0.525813319649} O2 5 1
6 {} {0.369227537702 0.431667329875 0.569143449148} C2 6 1
6 {} {0.460939375683 0.525158222017 0.412233345856} C3 7 1
8 {} {0.413469255627 0.627173470528 0.513603729729} O3 8 1
8 {} {0.412191817497 0.63364101656 0.330720890881} O4 9 1
14 {} {0.232341894537 0.491257829311 0.556422154165} Si3 10 1
7 {} {0.212692711593 0.412537331225 0.587854869687} N1 11 1
14 {} {0.176656366645 0.408182589768 0.679699135285} Si4 12 1
14 {} {0.228297480326 0.342526158815 0.523919191567} Si5 13 1
7 {} {0.229515803488 0.354892134693 0.410302730582} N2 14 1
7 {} {0.129149702127 0.456517497523 0.672518434293} N3 15 1
1 {} {0.356181600587 0.500202520871 0.372659370464} H1 16 1
1 {} {0.331697546123 0.577807538811 0.400694226737} H2 17 1
1 {} {0.36461966899 0.600037660882 0.595958347041} H3 18 1
1 {} {0.365906582199 0.390669168239 0.520645257099} H4 19 1
1 {} {0.356552747067 0.413610383765 0.633647203572} H5 20 1
1 {} {0.404939460693 0.442644436668 0.577436698853} H6 21 1
1 {} {0.492722533406 0.55280104741 0.411457998712} H7 22 1
1 {} {0.459515459775 0.494563043156 0.351260269585} H8 23 1
1 {} {0.461905106427 0.49099537813 0.469661026393} H9 24 1
1 {} {0.438726743389 0.656478892952 0.523890701281} H10 25 1
1 {} {0.440534154025 0.642450524175 0.301950326977} H11 26 1
1 {} {0.226553983077 0.536902452267 0.63443653863} H12 27 1
1 {} {0.20681763161 0.51780122566 0.478725179428} H13 28 1
1 {} {0.163764591909 0.336486442359 0.687832521919} H14 29 1
1 {} {0.199691988826 0.432521032931 0.761600302791} H15 30 1
1 {} {0.274223014147 0.320836846919 0.548828684242} H16 31 1
1 {} {0.195163168234 0.289107778003 0.544193796094} H17 32 1
1 {} {0.25594893895 0.378893519414 0.382363396642} H18 33 1
1 {} {0.201040628764 0.365557514418 0.376296168783} H19 34 1
1 {} {0.128951814023 0.504103334539 0.696299874956} H20 35 1
1 {} {0.106476221016 0.450582230333 0.622754401631} H21 36 1
6 {} {0.58533169345 0.342023640115 0.30917264967} C4 37 1
14 {} {0.580554334044 0.375589813641 0.426155157943} Si6 38 1
14 {} {0.569380477307 0.252936753803 0.291262756614} Si7 39 1
8 {} {0.609181770466 0.326519711319 0.494179352133} O5 40 1
8 {} {0.603203573468 0.450630344148 0.431178444414} O6 41 1
6 {} {0.521300711323 0.384288200575 0.462783665312} C5 42 1
6 {} {0.508478537716 0.242332799763 0.267623461504} C6 43 1
8 {} {0.584662560142 0.214305832382 0.385534931332} O7 44 1
8 {} {0.599098786191 0.215940751647 0.211374820548} O8 45 1
14 {} {0.646932870714 0.495475875839 0.459831498246} Si8 46 1
7 {} {0.631436784738 0.576557874022 0.486897675591} N4 47 1
14 {} {0.637692400694 0.604107812924 0.597213418896} Si9 48 1
14 {} {0.607552076318 0.630212057094 0.407437027976} Si10 49 1
7 {} {0.618543378003 0.611167852473 0.297841991748} N5 50 1
7 {} {0.690707106103 0.623918720428 0.63336553053} N6 51 1
1 {} {0.565916128664 0.373791560977 0.263229539955} H22 52 1
1 {} {0.620658998918 0.347169156391 0.289582610475} H23 53 1
1 {} {0.607630330567 0.279379579542 0.476696500249} H24 54 1
1 {} {0.502187894075 0.417260568878 0.418233796219} H25 55 1
1 {} {0.520084826041 0.405772017926 0.530304603835} H26 56 1
1 {} {0.504512836552 0.335382373882 0.465170088204} H27 57 1
1 {} {0.499141766438 0.189229436717 0.262966849814} H28 58 1
1 {} {0.499248045815 0.266515225773 0.204247279147} H29 59 1
1 {} {0.48805606096 0.265261462618 0.320350535314} H30 60 1
1 {} {0.587319079441 0.165959048472 0.383288199103} H31 61 1
1 {} {0.585889492629 0.211929298429 0.152654128265} H32 62 1
1 {} {0.668938668139 0.466662465353 0.540474089776} H33 63 1
1 {} {0.678665318101 0.495048260202 0.383185662363} H34 64 1
1 {} {0.610413335306 0.666364727184 0.604012349378} H35 65 1
1 {} {0.621558809066 0.551191947956 0.659239400986} H36 66 1
1 {} {0.557816854765 0.629297731948 0.415602413209} H37 67 1
1 {} {0.624481636782 0.698987694733 0.426125614775} H38 68 1
1 {} {0.602287187046 0.572421764729 0.268326950555} H39 69 1
1 {} {0.650225002335 0.614478750552 0.274033071554} H40 70 1
1 {} {0.712074965429 0.586765340133 0.651420765851} H41 71 1
1 {} {0.707653563642 0.663071877714 0.606302455239} H42 72 1
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