iterations/neb0_image08_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_image08
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
WyckoffPosition int -1
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@data
6 {} {0.362204619794 0.525655919841 0.423571477934} C1 1 1
14 {} {0.343318030685 0.492529565378 0.534606904824} Si1 2 1
14 {} {0.416149132004 0.570594336764 0.418568969774} Si2 3 1
8 {} {0.346629639061 0.55277523658 0.609841954896} O1 4 1
8 {} {0.290427266473 0.47042622012 0.526646910246} O2 5 1
6 {} {0.37499239912 0.416598449274 0.569976009387} C2 6 1
6 {} {0.464990901203 0.514778184219 0.411372738056} C3 7 1
8 {} {0.419022319764 0.612444935628 0.515163090252} O3 8 1
8 {} {0.417247001481 0.62016129447 0.330075252036} O4 9 1
14 {} {0.23807469683 0.476139936228 0.557244974244} Si3 10 1
7 {} {0.218464501415 0.397417489497 0.588709485759} N1 11 1
14 {} {0.182426879951 0.393126974588 0.680574880897} Si4 12 1
14 {} {0.234065782648 0.327391254998 0.524690057477} Si5 13 1
7 {} {0.235286279807 0.33972652036 0.411069217301} N2 14 1
7 {} {0.134886506151 0.441418466646 0.673417767617} N3 15 1
1 {} {0.361988548819 0.485216709375 0.373506383164} H1 16 1
1 {} {0.337320375041 0.562607360123 0.401536117825} H2 17 1
1 {} {0.370380909406 0.584968627938 0.596787307952} H3 18 1
1 {} {0.371657732643 0.375570791336 0.521519441533} H4 19 1
1 {} {0.362332954479 0.398510288627 0.634491049184} H5 20 1
1 {} {0.410709849435 0.427548647277 0.57829661114} H6 21 1
1 {} {0.497727841836 0.538400660336 0.412657790033} H7 22 1
1 {} {0.463778720458 0.482447356564 0.353117361897} H8 23 1
1 {} {0.464178677636 0.48275840974 0.469892494807} H9 24 1
1 {} {0.444473932648 0.641488572315 0.52464072485} H10 25 1
1 {} {0.446250577092 0.62750211428 0.303048745374} H11 26 1
1 {} {0.232337553695 0.521821588958 0.635227442183} H12 27 1
1 {} {0.212603872752 0.502737444039 0.479529312705} H13 28 1
1 {} {0.169559905572 0.321441330072 0.688705513079} H14 29 1
1 {} {0.205476987682 0.417489012532 0.762439211835} H15 30 1
1 {} {0.279980828644 0.305761963896 0.549630312816} H16 31 1
1 {} {0.200924571153 0.274042101405 0.545041779256} H17 32 1
1 {} {0.261704495614 0.363824242805 0.38320164423} H18 33 1
1 {} {0.206795665968 0.35049615083 0.377147024339} H19 34 1
1 {} {0.134726723551 0.489037920342 0.697125723584} H20 35 1
1 {} {0.112237173214 0.435494078938 0.623588451065} H21 36 1
6 {} {0.579618733854 0.357117424648 0.308251631516} C4 37 1
14 {} {0.576183507219 0.389388010234 0.42562194597} Si6 38 1
14 {} {0.563633682193 0.268063483461 0.290420759148} Si7 39 1
8 {} {0.60468121927 0.341056401599 0.493747488976} O5 40 1
8 {} {0.597204860975 0.465562345332 0.430265873271} O6 41 1
6 {} {0.518043743525 0.393911081586 0.464727378151} C5 42 1
6 {} {0.502726212794 0.257437356182 0.266791851409} C6 43 1
8 {} {0.578924696109 0.229384654575 0.384657763204} O7 44 1
8 {} {0.593327071691 0.231136387275 0.210500846664} O8 45 1
14 {} {0.6410366846 0.510361489594 0.458913360292} Si8 46 1
7 {} {0.625636677886 0.591447130652 0.486280609529} N4 47 1
14 {} {0.632112163945 0.619267357057 0.596328852068} Si9 48 1
14 {} {0.601729561384 0.645269375194 0.406950051034} Si10 49 1
7 {} {0.612851355172 0.625948850386 0.297351935629} N5 50 1
7 {} {0.684930676395 0.639127709358 0.632880530918} N6 51 1
1 {} {0.560162867076 0.388899514489 0.262342280896} H22 52 1
1 {} {0.614899299768 0.362280686204 0.288640241508} H23 53 1
1 {} {0.601977573822 0.294203483659 0.475993013147} H24 54 1
1 {} {0.500700617205 0.424453244749 0.416060055896} H25 55 1
1 {} {0.514873438096 0.419703663997 0.52858701101} H26 56 1
1 {} {0.499099778294 0.347182761767 0.465494475789} H27 57 1
1 {} {0.493394834716 0.204326925732 0.26216939263} H28 58 1
1 {} {0.493456310347 0.281563869718 0.203403341524} H29 59 1
1 {} {0.482312304459 0.280276210316 0.319594586619} H30 60 1
1 {} {0.581609595283 0.181017258283 0.382434176828} H31 61 1
1 {} {0.580122306492 0.227025425922 0.151777972281} H32 62 1
1 {} {0.663191198164 0.481755663209 0.539724446088} H33 63 1
1 {} {0.672868240842 0.510150998209 0.38233606452} H34 64 1
1 {} {0.604616075169 0.681331264695 0.602979387405} H35 65 1
1 {} {0.615781146727 0.56633895159 0.657978298901} H36 66 1
1 {} {0.551934424699 0.644409074316 0.414605429042} H37 67 1
1 {} {0.618699520061 0.714178838088 0.425065225008} H38 68 1
1 {} {0.596525227249 0.587599100233 0.267325455995} H39 69 1
1 {} {0.644396914194 0.629553415917 0.273139865945} H40 70 1
1 {} {0.706322279753 0.601810839306 0.650593332307} H41 71 1
1 {} {0.701913315856 0.67823590086 0.605491223319} H42 72 1
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