iterations/neb0_image04_iter14.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
WyckoffPosition int -1
@end
@data
6 {} {0.354803225595 0.545417498269 0.422459558409} C1 1 1
14 {} {0.335714159851 0.512370466667 0.533458668657} Si1 2 1
14 {} {0.409958103517 0.587706960768 0.418209200235} Si2 3 1
8 {} {0.339042018329 0.572648349054 0.608739481894} O1 4 1
8 {} {0.282863201425 0.490350748235 0.52551419923} O2 5 1
6 {} {0.367400132137 0.436455964441 0.568888737343} C2 6 1
6 {} {0.458989498904 0.530222545993 0.41188140405} C3 7 1
8 {} {0.411646248849 0.631957396141 0.513391701144} O3 8 1
8 {} {0.410333402914 0.638601898076 0.330431146178} O4 9 1
14 {} {0.230471627768 0.495992728261 0.556149658239} Si3 10 1
7 {} {0.210861609742 0.417281147869 0.587587773967} N1 11 1
14 {} {0.174834073513 0.412995113 0.679453499084} Si4 12 1
14 {} {0.226448894215 0.347270059114 0.523602097075} Si5 13 1
7 {} {0.227686316587 0.359588718953 0.409986582381} N2 14 1
7 {} {0.127307498168 0.461293811295 0.672319243259} N3 15 1
1 {} {0.354359500615 0.505002505512 0.372411326889} H1 16 1
1 {} {0.329866389305 0.582553947023 0.400432784402} H2 17 1
1 {} {0.362785308792 0.604819731956 0.595682542523} H3 18 1
1 {} {0.36406811216 0.395449549851 0.52040947324} H4 19 1
1 {} {0.354727402954 0.418384546799 0.633393631789} H5 20 1
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1 {} {0.490828523983 0.557663042672 0.411250430025} H7 22 1
1 {} {0.457582444047 0.499502814176 0.351056442824} H8 23 1
1 {} {0.459906114129 0.496134201562 0.469331537166} H9 24 1
1 {} {0.436879121595 0.661308060838 0.52360090881} H10 25 1
1 {} {0.438694299252 0.647268196074 0.301724442921} H11 26 1
1 {} {0.224741394877 0.541683738617 0.634112027555} H12 27 1
1 {} {0.205007955338 0.522604962041 0.478428115818} H13 28 1
1 {} {0.161965267085 0.341291382802 0.687603801461} H14 29 1
1 {} {0.19788169622 0.437355371127 0.761342519292} H15 30 1
1 {} {0.272377424802 0.325625937239 0.548522596788} H16 31 1
1 {} {0.193316246468 0.293886630066 0.543947086816} H17 32 1
1 {} {0.254103298761 0.383673039152 0.382110490597} H18 33 1
1 {} {0.199202028919 0.370364532216 0.376039376481} H19 34 1
1 {} {0.127138196967 0.508905705742 0.696014302695} H20 35 1
1 {} {0.104650053901 0.455362546459 0.622493462221} H21 36 1
6 {} {0.587182098306 0.337280830736 0.309427903201} C4 37 1
14 {} {0.582449881328 0.37068366372 0.426461422975} Si6 38 1
14 {} {0.571216345254 0.248206833087 0.291553238893} Si7 39 1
8 {} {0.611103717144 0.321721134073 0.494472127173} O5 40 1
8 {} {0.605024105025 0.445834361036 0.431404423216} O6 41 1
6 {} {0.523274786999 0.379206410553 0.463132570258} C5 42 1
6 {} {0.510330183071 0.237560783346 0.267929817266} C6 43 1
8 {} {0.586489776595 0.209516183585 0.385780341046} O7 44 1
8 {} {0.600907529582 0.211257368784 0.211630544637} O8 45 1
14 {} {0.648741946814 0.490615635873 0.460082164757} Si8 46 1
7 {} {0.633226050783 0.571693000699 0.487175278954} N4 47 1
14 {} {0.639731099969 0.599425145175 0.597542419276} Si9 48 1
14 {} {0.609314492682 0.625409912541 0.408178910666} Si10 49 1
7 {} {0.620487934105 0.606073824024 0.298266030685} N5 50 1
7 {} {0.692419348039 0.619221495974 0.633910273233} N6 51 1
1 {} {0.567750205047 0.369021880665 0.26347203834} H22 52 1
1 {} {0.622507672495 0.34239618008 0.289839992407} H23 53 1
1 {} {0.609480690705 0.274576563356 0.476944565008} H24 54 1
1 {} {0.504243144936 0.412076140564 0.418456744556} H25 55 1
1 {} {0.521937523099 0.400912923322 0.53048436987} H26 56 1
1 {} {0.506378602616 0.330405217943 0.465467020121} H27 57 1
1 {} {0.501006330152 0.184448900905 0.263278779596} H28 58 1
1 {} {0.501059248865 0.261699240724 0.204555338732} H29 59 1
1 {} {0.489899527083 0.260427629372 0.320676874684} H30 60 1
1 {} {0.589207670867 0.161167074111 0.383526465714} H31 61 1
1 {} {0.587715723419 0.207166820822 0.152878518263} H32 62 1
1 {} {0.670776332784 0.461907993559 0.540748713751} H33 63 1
1 {} {0.680465282813 0.490281581772 0.383423919084} H34 64 1
1 {} {0.612211306238 0.661496272802 0.604128008122} H35 65 1
1 {} {0.623369753717 0.546431544596 0.659180035542} H36 66 1
1 {} {0.559566801641 0.624615182948 0.415751996109} H37 67 1
1 {} {0.626323025064 0.69426174528 0.426162850794} H38 68 1
1 {} {0.604078358779 0.567725033239 0.268479231159} H39 69 1
1 {} {0.651982821196 0.609671614819 0.274267195551} H40 70 1
1 {} {0.713907811553 0.58195553849 0.651686898584} H41 71 1
1 {} {0.709508199696 0.658350412517 0.606582674444} H42 72 1
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