iterations/neb0_image03_iter22.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
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@data
6 {} {0.352993982935 0.55022291244 0.422170907943} C1 1 1
14 {} {0.333930586803 0.517212400854 0.5332580219} Si1 2 1
14 {} {0.408158981154 0.592503443586 0.417924054862} Si2 3 1
8 {} {0.337201476831 0.577490722798 0.608514946461} O1 4 1
8 {} {0.281033222756 0.495345233911 0.525217765752} O2 5 1
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6 {} {0.457224915454 0.534937590109 0.41166353119} C3 7 1
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8 {} {0.408490392915 0.643522963058 0.330224587614} O4 9 1
14 {} {0.228677721968 0.500846343662 0.555874900199} Si3 10 1
7 {} {0.209055956973 0.422137826494 0.587311781916} N1 11 1
14 {} {0.17300001016 0.417860543263 0.679116083578} Si4 12 1
14 {} {0.224604353048 0.352147293823 0.523324671114} Si5 13 1
7 {} {0.225818191701 0.364692673718 0.409771004696} N2 14 1
7 {} {0.125494454259 0.466207126003 0.672033996133} N3 15 1
1 {} {0.352553533175 0.509780482987 0.372152959937} H1 16 1
1 {} {0.328001626528 0.587296310582 0.40018373648} H2 17 1
1 {} {0.360960084864 0.60964991777 0.595412838388} H3 18 1
1 {} {0.362228117621 0.400232691022 0.520172417522} H4 19 1
1 {} {0.35290607439 0.423151110056 0.633187750849} H5 20 1
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1 {} {0.489036319751 0.562482333388 0.4110039664} H7 22 1
1 {} {0.455793119899 0.504277232115 0.350769097001} H8 23 1
1 {} {0.458111603482 0.500818119524 0.469123250994} H9 24 1
1 {} {0.435029326465 0.666158613558 0.523376970783} H10 25 1
1 {} {0.436854515383 0.652097023016 0.301394691144} H11 26 1
1 {} {0.222924475911 0.54650644944 0.633887946206} H12 27 1
1 {} {0.203190636427 0.527421368775 0.47816323429} H13 28 1
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1 {} {0.196052429554 0.442178006772 0.760993384812} H15 30 1
1 {} {0.270521577736 0.330422285405 0.54819340929} H16 31 1
1 {} {0.19148008099 0.298710222398 0.543657705779} H17 32 1
1 {} {0.252299282603 0.388521448235 0.381763561242} H18 33 1
1 {} {0.197339351435 0.375235823615 0.375715383856} H19 34 1
1 {} {0.125314454484 0.513816375243 0.695735759771} H20 35 1
1 {} {0.102819247372 0.460195483008 0.622276331371} H21 36 1
6 {} {0.589011929203 0.332420166144 0.309709760476} C4 37 1
14 {} {0.58426565918 0.36586646313 0.426753682107} Si6 38 1
14 {} {0.573019049641 0.243341929824 0.291707334693} Si7 39 1
8 {} {0.612971887918 0.316891219594 0.494736080043} O5 40 1
8 {} {0.606846890085 0.441009251547 0.431681970292} O6 41 1
6 {} {0.525028769214 0.374493381867 0.463356153063} C5 42 1
6 {} {0.51214343462 0.232713274419 0.268173827823} C6 43 1
8 {} {0.588144827679 0.20472211151 0.386069096636} O7 44 1
8 {} {0.602696648642 0.206230616366 0.211873490878} O8 45 1
14 {} {0.6506079744 0.485740077349 0.460391514508} Si8 46 1
7 {} {0.635060334306 0.566829969563 0.487375982074} N4 47 1
14 {} {0.641550340423 0.594568909392 0.597780825815} Si9 48 1
14 {} {0.611141262931 0.620528141597 0.408444640108} Si10 49 1
7 {} {0.622322397366 0.601098016947 0.298899769304} N5 50 1
7 {} {0.694348250401 0.614434504918 0.634405058174} N6 51 1
1 {} {0.569598157437 0.36420301925 0.263775090477} H22 52 1
1 {} {0.62433405155 0.337572527303 0.290129774661} H23 53 1
1 {} {0.611325050973 0.269767846004 0.477211689831} H24 54 1
1 {} {0.505994592456 0.407449838185 0.418671039056} H25 55 1
1 {} {0.523743510537 0.396095042461 0.530811810172} H26 56 1
1 {} {0.508194965775 0.325617309092 0.46568893218} H27 57 1
1 {} {0.502880879587 0.179574336068 0.263580140743} H28 58 1
1 {} {0.502852702647 0.256851297068 0.204822067557} H29 59 1
1 {} {0.491751218672 0.255562077077 0.320995643945} H30 60 1
1 {} {0.591091389192 0.156415989805 0.383755013461} H31 61 1
1 {} {0.589555992639 0.202347131874 0.153062928133} H32 62 1
1 {} {0.672640962972 0.457088228683 0.541028187711} H33 63 1
1 {} {0.682303247023 0.485448243213 0.383658777492} H34 64 1
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1 {} {0.625192955497 0.541572729906 0.65920558739} H36 66 1
1 {} {0.561355788435 0.619886951415 0.416010081942} H37 67 1
1 {} {0.628170094166 0.689400867221 0.426276168549} H38 68 1
1 {} {0.605829539306 0.562968103317 0.268667137175} H39 69 1
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1 {} {0.715746156377 0.57714414469 0.651953403279} H41 71 1
1 {} {0.711318707085 0.653483999656 0.606990389248} H42 72 1
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