iterations/neb0_image07_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_image07
@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 {} {0.360303321686 0.530820356711 0.423222933852} C1 1 1
14 {} {0.341480498383 0.497452028426 0.534455778561} Si1 2 1
14 {} {0.414655942327 0.575484300204 0.417969883251} Si2 3 1
8 {} {0.344775235122 0.557687934698 0.609631235279} O1 4 1
8 {} {0.28856125242 0.475410579642 0.526416726635} O2 5 1
6 {} {0.3731404407 0.421406349112 0.569737355666} C2 6 1
6 {} {0.463443394095 0.519052725755 0.411750849267} C3 7 1
8 {} {0.416809923025 0.618093290476 0.514609393001} O3 8 1
8 {} {0.414983606826 0.625849939014 0.329526257873} O4 9 1
14 {} {0.23626501234 0.480929003421 0.556948682035} Si3 10 1
7 {} {0.21662125094 0.402254192293 0.588392559784} N1 11 1
14 {} {0.180623080641 0.397989356488 0.680269224609} Si4 12 1
14 {} {0.232194159088 0.332270869606 0.524390052476} Si5 13 1
7 {} {0.233413315476 0.344727263001 0.410822657025} N2 14 1
7 {} {0.133105570592 0.446308264042 0.673133793351} N3 15 1
1 {} {0.36025948133 0.490240635755 0.373268753199} H1 16 1
1 {} {0.334965411091 0.567363554545 0.401150174355} H2 17 1
1 {} {0.368570287834 0.589832864517 0.596564192634} H3 18 1
1 {} {0.369807852763 0.380385327502 0.521278634512} H4 19 1
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1 {} {0.496141895281 0.544504867432 0.412129721121} H7 22 1
1 {} {0.46169401696 0.487014541593 0.351835615042} H8 23 1
1 {} {0.462433190262 0.486451492592 0.470772768012} H9 24 1
1 {} {0.442600877013 0.646462521681 0.524536431303} H10 25 1
1 {} {0.444153964655 0.632525975116 0.302873274152} H11 26 1
1 {} {0.230480792496 0.526624184339 0.634964147722} H12 27 1
1 {} {0.210749773011 0.50754874902 0.47922633721} H13 28 1
1 {} {0.167722212327 0.326258818325 0.688489685744} H14 29 1
1 {} {0.203663349625 0.42234640149 0.762156681903} H15 30 1
1 {} {0.278133384438 0.310554768391 0.549299397027} H16 31 1
1 {} {0.199071236289 0.278827862154 0.544757531945} H17 32 1
1 {} {0.259866561873 0.36865868908 0.38287140437} H18 33 1
1 {} {0.204941080115 0.35537008761 0.376824621321} H19 34 1
1 {} {0.132911475627 0.493915820233 0.696830053574} H20 35 1
1 {} {0.110421691582 0.440330074032 0.623406145046} H21 36 1
6 {} {0.581692891812 0.35210835582 0.308490467642} C4 37 1
14 {} {0.577924396368 0.384160418283 0.426581818128} Si6 38 1
14 {} {0.565466548136 0.263163855195 0.29053527805} Si7 39 1
8 {} {0.607595686808 0.335829514735 0.493787603359} O5 40 1
8 {} {0.599120711631 0.460450454038 0.430599035084} O6 41 1
6 {} {0.519093096112 0.389617398483 0.463966384765} C5 42 1
6 {} {0.504564115906 0.252619518419 0.267055030298} C6 43 1
8 {} {0.580572452803 0.224585840826 0.384967329246} O7 44 1
8 {} {0.595136338311 0.226147078641 0.21070536527} O8 45 1
14 {} {0.642963443649 0.505593527833 0.459266005113} Si8 46 1
7 {} {0.62733914085 0.586667738242 0.48607559725} N4 47 1
14 {} {0.634104504613 0.614522237348 0.596853857489} Si9 48 1
14 {} {0.603539797847 0.640394682219 0.407577000014} Si10 49 1
7 {} {0.614712563517 0.620970806576 0.297863156859} N5 50 1
7 {} {0.686857510871 0.634343424205 0.633307592714} N6 51 1
1 {} {0.562073344613 0.384127584934 0.263040502261} H22 52 1
1 {} {0.616930016199 0.357357570014 0.288451833425} H23 53 1
1 {} {0.60410441838 0.288833117491 0.476591881219} H24 54 1
1 {} {0.501625408237 0.420818837322 0.415269413834} H25 55 1
1 {} {0.516803337182 0.41423697843 0.529444144961} H26 56 1
1 {} {0.501734364477 0.341194936441 0.466904643895} H27 57 1
1 {} {0.495320049017 0.199481457109 0.262477947922} H28 58 1
1 {} {0.49525352178 0.276719518434 0.203685093916} H29 59 1
1 {} {0.484165709492 0.27541244269 0.319908959777} H30 60 1
1 {} {0.583494306692 0.176281776467 0.382672936162} H31 61 1
1 {} {0.581961979437 0.222175935287 0.151968405261} H32 62 1
1 {} {0.664988293152 0.476911574512 0.53978911726} H33 63 1
1 {} {0.674625953574 0.505283401747 0.38257791007} H34 64 1
1 {} {0.606454137768 0.676483045606 0.603080348532} H35 65 1
1 {} {0.61758455102 0.56135875452 0.658210376975} H36 66 1
1 {} {0.553781668085 0.639625870485 0.414815792238} H37 67 1
1 {} {0.620503375286 0.709227544855 0.425198377364} H38 68 1
1 {} {0.598214656327 0.58268233566 0.267416772818} H39 69 1
1 {} {0.6463564169 0.624756839648 0.273392852164} H40 70 1
1 {} {0.708125928131 0.597142298178 0.650785641521} H41 71 1
1 {} {0.703732466963 0.673246936293 0.606009580916} H42 72 1
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