iterations/neb0_image04_iter12.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_image04
@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 {} {0.3548086426 0.545416452549 0.422466217031} C1 1 1
14 {} {0.335709962563 0.512378423469 0.533457258844} Si1 2 1
14 {} {0.409956655079 0.587711186338 0.41821462875} Si2 3 1
8 {} {0.339045739064 0.572634731135 0.60873125503} O1 4 1
8 {} {0.282839078411 0.490341007293 0.525520136787} O2 5 1
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6 {} {0.45896434796 0.530258179684 0.41188284382} C3 7 1
8 {} {0.41165172803 0.631945376615 0.513381899466} O3 8 1
8 {} {0.410333000154 0.638599106222 0.330437367208} O4 9 1
14 {} {0.230483814735 0.495978883832 0.55614233402} Si3 10 1
7 {} {0.210864156006 0.41727933955 0.587589931209} N1 11 1
14 {} {0.174836647581 0.412999944117 0.679460633699} Si4 12 1
14 {} {0.226445726802 0.347255697646 0.523592635939} Si5 13 1
7 {} {0.227686027638 0.359582470131 0.409982168082} N2 14 1
7 {} {0.12730393674 0.461292364345 0.67232102889} N3 15 1
1 {} {0.354358565512 0.505002347464 0.372413138015} H1 16 1
1 {} {0.329872484279 0.582546046454 0.40043558002} H2 17 1
1 {} {0.362788260752 0.604824092192 0.595683282752} H3 18 1
1 {} {0.364067534464 0.395448433268 0.520411108699} H4 19 1
1 {} {0.354727697562 0.418381760193 0.633393876793} H5 20 1
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1 {} {0.490827626084 0.557655587674 0.411259661767} H7 22 1
1 {} {0.457579802329 0.499505235465 0.35106502867} H8 23 1
1 {} {0.459901640328 0.496159336202 0.469310895754} H9 24 1
1 {} {0.436877782893 0.661306912365 0.523599140395} H10 25 1
1 {} {0.438699043396 0.647269466062 0.301722228643} H11 26 1
1 {} {0.224743133791 0.541685300808 0.634111065399} H12 27 1
1 {} {0.205010136026 0.522607162443 0.478424722444} H13 28 1
1 {} {0.161967606058 0.341290602572 0.687603504941} H14 29 1
1 {} {0.197882352245 0.437355005201 0.761341760228} H15 30 1
1 {} {0.272375727827 0.325627059327 0.548519964477} H16 31 1
1 {} {0.193319346693 0.293891500831 0.54394767539} H17 32 1
1 {} {0.254102952958 0.383672286321 0.382110613635} H18 33 1
1 {} {0.199204815454 0.370363817507 0.376044013604} H19 34 1
1 {} {0.1271402605 0.508905788191 0.696015032574} H20 35 1
1 {} {0.104650961959 0.455360487502 0.622493844341} H21 36 1
6 {} {0.587181657618 0.337284944633 0.309428409365} C4 37 1
14 {} {0.582440337738 0.370685349936 0.426469316324} Si6 38 1
14 {} {0.571219313593 0.248218798386 0.291555369621} Si7 39 1
8 {} {0.61110377782 0.321719692032 0.494476434791} O5 40 1
8 {} {0.605014466062 0.445822331588 0.431393771694} O6 41 1
6 {} {0.523290687311 0.379183585526 0.463129251042} C5 42 1
6 {} {0.510333979935 0.237564251113 0.267931217069} C6 43 1
8 {} {0.58648798017 0.209513153601 0.385777304978} O7 44 1
8 {} {0.600899771369 0.21126679221 0.211629437227} O8 45 1
14 {} {0.648746510348 0.49062231272 0.460073982404} Si8 46 1
7 {} {0.633214093303 0.571680163616 0.487133477003} N4 47 1
14 {} {0.639777844305 0.599451500132 0.597545673898} Si9 48 1
14 {} {0.609305701683 0.62540973692 0.408311962281} Si10 49 1
7 {} {0.620465816248 0.606100533778 0.29834764755} N5 50 1
7 {} {0.692464800176 0.619232414545 0.633912410254} N6 51 1
1 {} {0.567747664199 0.369025229772 0.263464381928} H22 52 1
1 {} {0.622509055583 0.342397640337 0.289840582972} H23 53 1
1 {} {0.609479069402 0.27458737239 0.476942215557} H24 54 1
1 {} {0.504266386004 0.412034467017 0.41848842003} H25 55 1
1 {} {0.521935239639 0.400913023515 0.530458764486} H26 56 1
1 {} {0.506379453281 0.330419579922 0.465459936741} H27 57 1
1 {} {0.501005422472 0.18445177643 0.263279933113} H28 58 1
1 {} {0.501057574262 0.261696883626 0.204557874407} H29 59 1
1 {} {0.48990079109 0.260424426127 0.320677569449} H30 60 1
1 {} {0.589210081182 0.161167426965 0.383528075863} H31 61 1
1 {} {0.587717285138 0.20716862487 0.152880467614} H32 62 1
1 {} {0.67077821446 0.46191044912 0.540757412054} H33 63 1
1 {} {0.680460548439 0.490286421423 0.383428281383} H34 64 1
1 {} {0.612202235866 0.661494008164 0.604123179143} H35 65 1
1 {} {0.623362717192 0.546430748228 0.659159990572} H36 66 1
1 {} {0.559562323099 0.62462194278 0.415731789873} H37 67 1
1 {} {0.626325183879 0.694273819966 0.426137274662} H38 68 1
1 {} {0.604058437908 0.567678609416 0.268421102123} H39 69 1
1 {} {0.652031667688 0.609674332025 0.274207275175} H40 70 1
1 {} {0.713871315886 0.582008470926 0.651657594936} H41 71 1
1 {} {0.709475466413 0.658289284699 0.60662207786} H42 72 1
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