./iterations/neb0_image03_iter42.sci output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
#MD System 2.0
@Title neb0_image03
@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 {} {0.361900062846 0.556200486262 0.413217298858} C1 1 1
14 {} {0.338538502838 0.529742799532 0.523868930635} Si1 2 1
14 {} {0.423490048456 0.566806104259 0.409023031439} Si2 3 1
8 {} {0.351819886653 0.586486252533 0.599909628245} O1 4 1
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8 {} {0.436513556897 0.601712758537 0.507988144706} O3 8 1
8 {} {0.43650278003 0.61836000015 0.326062607918} O4 9 1
14 {} {0.23321696693 0.532657432762 0.55817770535} Si3 10 1
7 {} {0.213696710018 0.454535299262 0.592289649638} N1 11 1
14 {} {0.191202731252 0.446186782701 0.699746261624} Si4 12 1
14 {} {0.214133661274 0.386793320824 0.51714145854} Si5 13 1
7 {} {0.208069747964 0.407857595591 0.406694663666} N2 14 1
7 {} {0.140782547121 0.485210928765 0.720039903016} N3 15 1
1 {} {0.351956615511 0.520435977223 0.360867937847} H1 16 1
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1 {} {0.444972105797 0.461976858824 0.331363678886} H8 23 1
1 {} {0.448198991049 0.450973181977 0.448952346897} H9 24 1
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1 {} {0.257388401131 0.350120113394 0.523029608353} H16 31 1
1 {} {0.1765013012 0.342281219283 0.54388440117} H17 32 1
1 {} {0.235065303193 0.422640634616 0.370804264068} H18 33 1
1 {} {0.180087276817 0.431423612337 0.384683288502} H19 34 1
1 {} {0.139976964575 0.534829125787 0.734914300645} H20 35 1
1 {} {0.112728339188 0.471374160606 0.686573263839} H21 36 1
6 {} {0.629061938112 0.636359521147 0.349690163584} C4 37 1
14 {} {0.585925535828 0.574047565915 0.387167715053} Si6 38 1
14 {} {0.623327005304 0.72486530078 0.386233202875} Si7 39 1
8 {} {0.536081385571 0.611002344765 0.381681578263} O5 40 1
8 {} {0.586316883366 0.509491009375 0.319980474455} O6 41 1
6 {} {0.596686478406 0.542006642897 0.50207749972} C5 42 1
6 {} {0.641378155294 0.741820104142 0.503462060064} C6 43 1
8 {} {0.568451674908 0.739707170747 0.374858029259} O7 44 1
8 {} {0.650996399783 0.774209864595 0.316306472283} O8 45 1
14 {} {0.580111523068 0.449029636182 0.247199672334} Si8 46 1
7 {} {0.59268272686 0.370892395834 0.290256297523} N4 47 1
14 {} {0.549081505975 0.314555672304 0.313590138563} Si9 48 1
14 {} {0.647251589855 0.345609409709 0.315395736806} Si10 49 1
7 {} {0.688228555155 0.391847188878 0.264157615519} N5 50 1
7 {} {0.525211883706 0.271489668441 0.226448743408} N6 51 1
1 {} {0.662489730231 0.618073048813 0.368271232338} H22 52 1
1 {} {0.628118200423 0.637129810119 0.276054098848} H23 53 1
1 {} {0.539100254875 0.660067715193 0.377327479744} H24 54 1
1 {} {0.628762371366 0.515358955215 0.505120405963} H25 55 1
1 {} {0.570500638701 0.506576921466 0.522293026391} H26 56 1
1 {} {0.597544923088 0.582588485568 0.551614036273} H27 57 1
1 {} {0.636121863168 0.794599960353 0.521658646469} H28 58 1
1 {} {0.6769586931 0.730378206365 0.512863818904} H29 59 1
1 {} {0.622359934092 0.711264080015 0.55116268119} H30 60 1
1 {} {0.557800802781 0.785452737397 0.371843726304} H31 61 1
1 {} {0.668909192908 0.809937384237 0.341335440854} H32 62 1
1 {} {0.532517240051 0.446911128791 0.218339542353} H33 63 1
1 {} {0.60936025499 0.465066258924 0.16974261743} H34 64 1
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1 {} {0.656532862981 0.351718963115 0.412906011044} H37 67 1
1 {} {0.651120559257 0.274195348207 0.287259665193} H38 68 1
1 {} {0.701652352151 0.432541815149 0.29451392891} H39 69 1
1 {} {0.69121430056 0.394754683397 0.196824418692} H40 70 1
1 {} {0.502882030326 0.294580724593 0.185772622377} H41 71 1
1 {} {0.542590807406 0.235953324418 0.192653006024} H42 72 1
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