iterations/neb0_image06_iter21.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_image06
@Columns AsymmetricAtom
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6 {} {0.358453163278 0.535642944502 0.423009716379} C1 1 1
14 {} {0.339502641652 0.502448493683 0.534100475482} Si1 2 1
14 {} {0.413134603213 0.579162577507 0.418285919281} Si2 3 1
8 {} {0.34284163441 0.562693792561 0.609329555916} O1 4 1
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8 {} {0.413621406699 0.629795327045 0.330132477189} O4 9 1
14 {} {0.234278896132 0.4860529916 0.556681047624} Si3 10 1
7 {} {0.214653197453 0.407392929875 0.588150376088} N1 11 1
14 {} {0.178643007188 0.403083509731 0.680041502584} Si4 12 1
14 {} {0.230234832608 0.337390088459 0.524145002523} Si5 13 1
7 {} {0.231464147118 0.3496127295 0.410499275782} N2 14 1
7 {} {0.131105111941 0.451353091065 0.672898775915} N3 15 1
1 {} {0.358195040623 0.495186976086 0.372995033404} H1 16 1
1 {} {0.333446638578 0.572585805822 0.400944758004} H2 17 1
1 {} {0.366591639286 0.594915666579 0.596212965354} H3 18 1
1 {} {0.367849104151 0.385510803713 0.520967389395} H4 19 1
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1 {} {0.460588842188 0.490923373062 0.351747857032} H8 23 1
1 {} {0.46212027333 0.489133541943 0.469902950292} H9 24 1
1 {} {0.440679668815 0.651494523268 0.52413852735} H10 25 1
1 {} {0.442437667968 0.637507725737 0.302454663583} H11 26 1
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1 {} {0.201705511846 0.427484307076 0.761913483662} H15 30 1
1 {} {0.276168430358 0.315719288048 0.54904944111} H16 31 1
1 {} {0.197105666971 0.283990929711 0.544508860171} H17 32 1
1 {} {0.257879007635 0.373755027517 0.382660384422} H18 33 1
1 {} {0.202987899637 0.360459629048 0.376605154403} H19 34 1
1 {} {0.130939030038 0.498986559815 0.696551373938} H20 35 1
1 {} {0.108462345014 0.445429469445 0.623073132453} H21 36 1
6 {} {0.583457344407 0.347151545296 0.308826011151} C4 37 1
14 {} {0.579354802039 0.37988662335 0.426163468099} Si6 38 1
14 {} {0.567417390773 0.258089375381 0.290891303084} Si7 39 1
8 {} {0.608131930639 0.331229093895 0.494158955559} O5 40 1
8 {} {0.601171363552 0.455655596537 0.430850490223} O6 41 1
6 {} {0.520378949619 0.386724543309 0.463415308427} C5 42 1
6 {} {0.506534247282 0.24746855405 0.267299681688} C6 43 1
8 {} {0.582533973821 0.219405348835 0.385206443567} O7 44 1
8 {} {0.597165558552 0.221248672561 0.210961420002} O8 45 1
14 {} {0.64491086385 0.500418348893 0.459631401288} Si8 46 1
7 {} {0.629363180672 0.581538503438 0.486514538836} N4 47 1
14 {} {0.635987090601 0.609361661595 0.597060523633} Si9 48 1
14 {} {0.605485288772 0.635284921695 0.407713675055} Si10 49 1
7 {} {0.616678619241 0.615775535308 0.298126121943} N5 50 1
7 {} {0.688772217788 0.629270124601 0.633612441892} N6 51 1
1 {} {0.563979111464 0.378955855455 0.26300282838} H22 52 1
1 {} {0.618729493729 0.352301092913 0.289169777686} H23 53 1
1 {} {0.605807146445 0.284227002643 0.476502975935} H24 54 1
1 {} {0.502159395558 0.418735630026 0.416924504415} H25 55 1
1 {} {0.51842611151 0.410208639826 0.52995204481} H26 56 1
1 {} {0.502975850657 0.338282550111 0.465778358334} H27 57 1
1 {} {0.49724510737 0.194330480683 0.262738005556} H28 58 1
1 {} {0.497220428276 0.271582814807 0.203948730023} H29 59 1
1 {} {0.486144034353 0.270282210944 0.32016030139} H30 60 1
1 {} {0.585459074597 0.171105734963 0.382927715949} H31 61 1
1 {} {0.583928519458 0.217066448656 0.152303551189} H32 62 1
1 {} {0.666991119432 0.471811754763 0.540240265297} H33 63 1
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1 {} {0.62250645269 0.704214200722 0.425460329859} H38 68 1
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1 {} {0.710109219321 0.591910869736 0.651112605991} H41 71 1
1 {} {0.705728139732 0.668248888028 0.606138303101} H42 72 1
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