iterations/neb0_image04_iter27.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 {} {0.354792604619 0.545419203533 0.422446876163} C1 1 1
14 {} {0.335753554858 0.512323657975 0.53349854076} Si1 2 1
14 {} {0.40991042947 0.58785202284 0.41817843039} Si2 3 1
8 {} {0.339052867037 0.572565450195 0.608755575774} O1 4 1
8 {} {0.28282887403 0.490250204751 0.525512743381} O2 5 1
6 {} {0.367414383381 0.436388387476 0.568902944822} C2 6 1
6 {} {0.458929911178 0.530385169042 0.411840723167} C3 7 1
8 {} {0.411619004749 0.632005732588 0.513454453492} O3 8 1
8 {} {0.410266071699 0.63883123468 0.330439760475} O4 9 1
14 {} {0.230532518284 0.495912906108 0.556091243329} Si3 10 1
7 {} {0.210855726097 0.41724694955 0.587560154897} N1 11 1
14 {} {0.174857564566 0.412966839206 0.679481573085} Si4 12 1
14 {} {0.226440868078 0.347206683777 0.523589434556} Si5 13 1
7 {} {0.227682203197 0.35948893441 0.40994560871} N2 14 1
7 {} {0.127317412624 0.461250906373 0.672361799725} N3 15 1
1 {} {0.354398042072 0.50497842924 0.372407431894} H1 16 1
1 {} {0.329814010499 0.582496891531 0.400426981415} H2 17 1
1 {} {0.362797086308 0.604762530233 0.595654179251} H3 18 1
1 {} {0.364078895217 0.395384908691 0.520425869444} H4 19 1
1 {} {0.354748514594 0.418346763331 0.633412255272} H5 20 1
1 {} {0.403125211614 0.447396384897 0.577158379516} H6 21 1
1 {} {0.490801978077 0.557820223768 0.411240170928} H7 22 1
1 {} {0.45748477633 0.49961858755 0.350998512205} H8 23 1
1 {} {0.459725568303 0.49637066003 0.469415784623} H9 24 1
1 {} {0.43687499075 0.661340264756 0.523592791663} H10 25 1
1 {} {0.438686424522 0.647283306092 0.301755579892} H11 26 1
1 {} {0.224764966336 0.541637008121 0.63407165529} H12 27 1
1 {} {0.205029764973 0.522569127455 0.478387933942} H13 28 1
1 {} {0.162003042281 0.34125668315 0.687672199854} H14 29 1
1 {} {0.197915184282 0.437373246616 0.761324045542} H15 30 1
1 {} {0.272385943304 0.325574319116 0.548490377252} H16 31 1
1 {} {0.193307957893 0.293827695908 0.543959025043} H17 32 1
1 {} {0.254098799008 0.383619736143 0.382130874816} H18 33 1
1 {} {0.199205666287 0.370343441328 0.376044745976} H19 34 1
1 {} {0.127166114823 0.508881140303 0.695987462145} H20 35 1
1 {} {0.10467746998 0.455324082048 0.622531426786} H21 36 1
6 {} {0.587202413606 0.337301705637 0.309412600173} C4 37 1
14 {} {0.582517465949 0.370645508507 0.426497051635} Si6 38 1
14 {} {0.571212837801 0.248252240088 0.291533785053} Si7 39 1
8 {} {0.611263160507 0.321666740655 0.494447272437} O5 40 1
8 {} {0.604991800229 0.445810696231 0.431409874932} O6 41 1
6 {} {0.523313167046 0.378993273696 0.463181551186} C5 42 1
6 {} {0.510314941141 0.237597628741 0.267973812255} C6 43 1
8 {} {0.586487562339 0.209559246607 0.385773919233} O7 44 1
8 {} {0.600905204184 0.21136610268 0.211566472332} O8 45 1
14 {} {0.648739915279 0.490693150506 0.460093382643} Si8 46 1
7 {} {0.633193930325 0.571749512024 0.487120378895} N4 47 1
14 {} {0.639697860698 0.599491017243 0.597534299513} Si9 48 1
14 {} {0.609285021921 0.625406886598 0.408158412636} Si10 49 1
7 {} {0.620451084457 0.605949273409 0.29866584062} N5 50 1
7 {} {0.692551020418 0.619394976787 0.634141138703} N6 51 1
1 {} {0.567756609906 0.369084586457 0.263509251916} H22 52 1
1 {} {0.622523460285 0.342442868069 0.289784098593} H23 53 1
1 {} {0.609524509871 0.274538962184 0.476970538256} H24 54 1
1 {} {0.504379631912 0.411814760551 0.418232701177} H25 55 1
1 {} {0.521967303134 0.400810960897 0.530496024034} H26 56 1
1 {} {0.506461110277 0.330158366859 0.465587433072} H27 57 1
1 {} {0.5010440004 0.184465631764 0.263335225109} H28 58 1
1 {} {0.501026315113 0.261724793112 0.20460060895} H29 59 1
1 {} {0.489888532744 0.260433519752 0.320759448434} H30 60 1
1 {} {0.589257643372 0.161227009483 0.383468531211} H31 61 1
1 {} {0.587692696358 0.207239317585 0.152866158629} H32 62 1
1 {} {0.670768417027 0.461941681187 0.540740110323} H33 63 1
1 {} {0.680424041121 0.490313369711 0.383407080472} H34 64 1
1 {} {0.612176685035 0.661531876272 0.603982658168} H35 65 1
1 {} {0.623339580279 0.54639390844 0.659071810163} H36 66 1
1 {} {0.559537473497 0.624738238246 0.415713855965} H37 67 1
1 {} {0.626298463064 0.694244290074 0.426010451758} H38 68 1
1 {} {0.603934204825 0.567703003042 0.268298427935} H39 69 1
1 {} {0.652052887884 0.609707216692 0.274215262906} H40 70 1
1 {} {0.713835210005 0.582122187327 0.651636043035} H41 71 1
1 {} {0.709471416577 0.658312136648 0.606743244248} H42 72 1
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