iterations/neb0_image03_iter13.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_image03
@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 {} {0.352976110905 0.550240080199 0.422171802177} C1 1 1
14 {} {0.333897409383 0.517217374748 0.533237690982} Si1 2 1
14 {} {0.408174233393 0.592465980328 0.417937488607} Si2 3 1
8 {} {0.337184819118 0.577526813895 0.608494364813} O1 4 1
8 {} {0.281030787491 0.495328403666 0.525240540595} O2 5 1
6 {} {0.365558377211 0.441260621516 0.568646047487} C2 6 1
6 {} {0.457231706744 0.53488168573 0.411684825208} C3 7 1
8 {} {0.409826977205 0.636735443697 0.51312235096} O3 8 1
8 {} {0.408503617944 0.643407775519 0.330178835195} O4 9 1
14 {} {0.228650460855 0.500866278186 0.555903812282} Si3 10 1
7 {} {0.209043275037 0.422137880959 0.587313604922} N1 11 1
14 {} {0.172984205476 0.41785078034 0.67910741003} Si4 12 1
14 {} {0.224604296998 0.352143878669 0.523326528751} Si5 13 1
7 {} {0.225832674465 0.364623401484 0.409775446929} N2 14 1
7 {} {0.125474763398 0.466195260006 0.672029984968} N3 15 1
1 {} {0.352521941948 0.5098076988 0.372135143759} H1 16 1
1 {} {0.328013665741 0.587364227689 0.400170731456} H2 17 1
1 {} {0.360941034396 0.609654979166 0.595421498366} H3 18 1
1 {} {0.362225555162 0.400269522801 0.520141846799} H4 19 1
1 {} {0.352886641367 0.423195574196 0.633149637445} H5 20 1
1 {} {0.401271321003 0.452241343876 0.57690557379} H6 21 1
1 {} {0.489036385951 0.562448307781 0.410972011714} H7 22 1
1 {} {0.455811491813 0.504238704812 0.35076919248} H8 23 1
1 {} {0.458172800076 0.500721509491 0.469113142227} H9 24 1
1 {} {0.435032468545 0.66612992237 0.523364180006} H10 25 1
1 {} {0.43685203827 0.652085446331 0.301411991785} H11 26 1
1 {} {0.2229020644 0.546519976451 0.633883826954} H12 27 1
1 {} {0.203169977623 0.527427506717 0.478180233789} H13 28 1
1 {} {0.160114281219 0.346131868856 0.687322953364} H14 29 1
1 {} {0.196029510072 0.442162474815 0.761031115335} H15 30 1
1 {} {0.270522556026 0.330451881862 0.548242571165} H16 31 1
1 {} {0.191484525659 0.298728084253 0.543666911577} H17 32 1
1 {} {0.252285583232 0.38852008184 0.381804344257} H18 33 1
1 {} {0.197344003215 0.375206061728 0.375749547305} H19 34 1
1 {} {0.125295380224 0.513784643563 0.695764117466} H20 35 1
1 {} {0.10280464217 0.460188943759 0.622229230427} H21 36 1
6 {} {0.589011350115 0.332411391227 0.3097133861} C4 37 1
14 {} {0.584245702423 0.365892414045 0.426748577355} Si6 38 1
14 {} {0.57304425622 0.243334700212 0.291736946354} Si7 39 1
8 {} {0.612920005191 0.316907138081 0.49474498916} O5 40 1
8 {} {0.606868900259 0.441026609793 0.431687224014} O6 41 1
6 {} {0.525013163887 0.374570392506 0.463340868497} C5 42 1
6 {} {0.512161784185 0.23270761835 0.268172830364} C6 43 1
8 {} {0.588226963713 0.204703528568 0.386045067569} O7 44 1
8 {} {0.602731089017 0.206269276884 0.211908195936} O8 45 1
14 {} {0.650608441787 0.48576774456 0.460360910485} Si8 46 1
7 {} {0.635081250413 0.566832447048 0.487398243525} N4 47 1
14 {} {0.641590203864 0.594565122491 0.597760464744} Si9 48 1
14 {} {0.611152052571 0.620564184686 0.408521315692} Si10 49 1
7 {} {0.622328896083 0.601272123743 0.298529711055} N5 50 1
7 {} {0.694257350924 0.614320182404 0.634159969885} N6 51 1
1 {} {0.569597670302 0.36417563977 0.263759414505} H22 52 1
1 {} {0.624335247313 0.337554220587 0.290126571586} H23 53 1
1 {} {0.611314615264 0.269753622279 0.477208762339} H24 54 1
1 {} {0.505939726191 0.40752806471 0.418741065623} H25 55 1
1 {} {0.52375452863 0.396121705636 0.530804069246} H26 56 1
1 {} {0.508192504521 0.325693360647 0.465686810603} H27 57 1
1 {} {0.50285154212 0.179589970184 0.263543442983} H28 58 1
1 {} {0.50289833874 0.256860251185 0.204814880871} H29 59 1
1 {} {0.491748874215 0.255588516669 0.320937012835} H30 60 1
1 {} {0.591049371339 0.156367166718 0.383796387355} H31 61 1
1 {} {0.589562423246 0.20231912243 0.153110304871} H32 62 1
1 {} {0.672634938016 0.457066754438 0.541037408751} H33 63 1
1 {} {0.682318463461 0.485442821829 0.383697157404} H34 64 1
1 {} {0.614057721209 0.656639929697 0.604388639779} H35 65 1
1 {} {0.625214524492 0.541593629748 0.659424615403} H36 66 1
1 {} {0.561409647093 0.619784112259 0.416032830557} H37 67 1
1 {} {0.628175741018 0.68941070889 0.426419992583} H38 68 1
1 {} {0.605917659031 0.562898849965 0.268755559057} H39 69 1
1 {} {0.653825065921 0.604831773767 0.274532960066} H40 70 1
1 {} {0.715765134881 0.577113652766 0.651960140883} H41 71 1
1 {} {0.711335233437 0.653487173798 0.60687901225} H42 72 1
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