iterations/neb0_image07_iter7.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
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6 {} {0.360396597639 0.530849330525 0.423258869516} C1 1 1
14 {} {0.341314158631 0.497856762859 0.534327234385} Si1 2 1
14 {} {0.415271950699 0.573695652802 0.418875349987} Si2 3 1
8 {} {0.344582023256 0.558118183463 0.609549946993} O1 4 1
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8 {} {0.415835127102 0.624037438221 0.331000499272} O4 9 1
14 {} {0.236078499651 0.48142214245 0.556973456678} Si3 10 1
7 {} {0.216439042744 0.40273088467 0.588395891792} N1 11 1
14 {} {0.180405463664 0.398434140337 0.680223895969} Si4 12 1
14 {} {0.232034099359 0.332736937394 0.524401840761} Si5 13 1
7 {} {0.233251511913 0.345126818432 0.410830433189} N2 14 1
7 {} {0.132884151191 0.446745239904 0.673077148607} N3 15 1
1 {} {0.359920678887 0.490411784389 0.373200186939} H1 16 1
1 {} {0.335446023863 0.567985714702 0.401247891751} H2 17 1
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1 {} {0.462916466098 0.485511692199 0.352185873624} H8 23 1
1 {} {0.464781320568 0.483146254506 0.469822936785} H9 24 1
1 {} {0.442451040961 0.64670410871 0.524398659031} H10 25 1
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1 {} {0.277956355281 0.311048694487 0.549352909562} H16 31 1
1 {} {0.198907401056 0.279327961025 0.544745673198} H17 32 1
1 {} {0.259692226423 0.369112685431 0.3829039081} H18 33 1
1 {} {0.204780061773 0.355780075588 0.376850654846} H19 34 1
1 {} {0.132703592389 0.494345412996 0.696847518642} H20 35 1
1 {} {0.110222484735 0.440790771617 0.62330817757} H21 36 1
6 {} {0.581597530612 0.351834128155 0.308656403605} C4 37 1
14 {} {0.576954452091 0.385063728936 0.425809270994} Si6 38 1
14 {} {0.565643373162 0.262747500488 0.290691169069} Si7 39 1
8 {} {0.605652692016 0.336251208328 0.493670814586} O5 40 1
8 {} {0.599373643446 0.460364574793 0.430545668404} O6 41 1
6 {} {0.518417161428 0.392487057276 0.462877032439} C5 42 1
6 {} {0.504745480703 0.25212528621 0.26708273909} C6 43 1
8 {} {0.580875378036 0.224085478295 0.384975047652} O7 44 1
8 {} {0.595333612782 0.225726951534 0.210822227078} O8 45 1
14 {} {0.643223763433 0.505203434093 0.459279795264} Si8 46 1
7 {} {0.627607407402 0.586272215944 0.486178128508} N4 47 1
14 {} {0.634202520546 0.614034834574 0.596803889519} Si9 48 1
14 {} {0.603782374449 0.63998419849 0.407452416167} Si10 49 1
7 {} {0.614812700521 0.620887000493 0.297510405172} N5 50 1
7 {} {0.687027344916 0.633746167125 0.632932878353} N6 51 1
1 {} {0.562179428391 0.38357915824 0.262642799482} H22 52 1
1 {} {0.616924262404 0.356960400689 0.289030389616} H23 53 1
1 {} {0.603901710248 0.289167774629 0.476168584423} H24 54 1
1 {} {0.499708718026 0.424655514733 0.417734769901} H25 55 1
1 {} {0.516449903633 0.415277964754 0.529260456259} H26 56 1
1 {} {0.5008520952 0.344564000768 0.464788412372} H27 57 1
1 {} {0.495416128676 0.19901954861 0.262442179795} H28 58 1
1 {} {0.49549945848 0.276279626604 0.20370525009} H29 59 1
1 {} {0.484324286892 0.275012936663 0.319839876038} H30 60 1
1 {} {0.583600389198 0.175760415712 0.382738942542} H31 61 1
1 {} {0.582150685447 0.221713976253 0.152093488579} H32 62 1
1 {} {0.665205585558 0.47646543745 0.539942676758} H33 63 1
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1 {} {0.554024295781 0.639099596433 0.414957087113} H37 67 1
1 {} {0.620733142878 0.708808936814 0.425435921675} H38 68 1
1 {} {0.598506522884 0.582143638245 0.267602033865} H39 69 1
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1 {} {0.70826386018 0.596640240786 0.650815285818} H41 71 1
1 {} {0.703843656636 0.672734799518 0.605859863772} H42 72 1
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