./iterations/neb0_image07_iter32.sci output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
#MD System 2.0
@Title neb0_image07
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6 {} {0.369037214613 0.57631751528 0.412117167001} C1 1 1
14 {} {0.34649335305 0.549678513891 0.522559509352} Si1 2 1
14 {} {0.430629541785 0.585093618943 0.407660780939} Si2 3 1
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8 {} {0.442775089915 0.638246925978 0.325429990374} O4 9 1
14 {} {0.241242282124 0.552643660227 0.556473424876} Si3 10 1
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14 {} {0.199069055939 0.466087398251 0.698147879113} Si4 12 1
14 {} {0.222014628245 0.406721191341 0.515602686423} Si5 13 1
7 {} {0.215908923594 0.427916685583 0.405152152596} N2 14 1
7 {} {0.148561522566 0.505000992144 0.718429034288} N3 15 1
1 {} {0.359768937809 0.540483789166 0.359413254218} H1 16 1
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1 {} {0.184375848181 0.362149174122 0.542208197812} H17 32 1
1 {} {0.242928982379 0.442564111392 0.3691680188} H18 33 1
1 {} {0.18793088537 0.451384649353 0.383039986889} H19 34 1
1 {} {0.147800714112 0.554614566649 0.733299050321} H20 35 1
1 {} {0.120560380767 0.491264858517 0.684811551598} H21 36 1
6 {} {0.623567678605 0.616802281861 0.350964142543} C4 37 1
14 {} {0.580019843575 0.555399814772 0.388824129534} Si6 38 1
14 {} {0.616298082411 0.705134833731 0.387906819379} Si7 39 1
8 {} {0.532675744109 0.599109192266 0.383873262234} O5 40 1
8 {} {0.578857981249 0.490774564219 0.321646420637} O6 41 1
6 {} {0.589570606433 0.521937311957 0.503674155687} C5 42 1
6 {} {0.633554185272 0.721981678303 0.505330591222} C6 43 1
8 {} {0.561378825457 0.721255849232 0.376488061718} O7 44 1
8 {} {0.643225707075 0.754735706821 0.317752753201} O8 45 1
14 {} {0.572319059349 0.429488736724 0.249231114747} Si8 46 1
7 {} {0.584712721081 0.351175501553 0.291915998731} N4 47 1
14 {} {0.541121016191 0.294779104636 0.315306023685} Si9 48 1
14 {} {0.639336118853 0.325657270914 0.316953757844} Si10 49 1
7 {} {0.680366206218 0.371894621574 0.265771478728} N5 50 1
7 {} {0.517363150146 0.251701071698 0.228280066745} N6 51 1
1 {} {0.657358237975 0.599297379432 0.368716124999} H22 52 1
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1 {} {0.590000002024 0.562468988605 0.553340296422} H27 57 1
1 {} {0.628238912985 0.774732818469 0.523344337248} H28 58 1
1 {} {0.669110231138 0.710489757863 0.514547200436} H29 59 1
1 {} {0.614516282312 0.691336841096 0.552900616105} H30 60 1
1 {} {0.55003143965 0.766618069801 0.373208482015} H31 61 1
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