./iterations/neb0_image08_iter39.sci output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
#MD System 2.0
@Title neb0_image08
@Columns AsymmetricAtom
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Connections string {{}}
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6 {} {0.370900729637 0.581857964166 0.41152102835} C1 1 1
14 {} {0.348165181934 0.554919333024 0.522132308577} Si1 2 1
14 {} {0.432603572241 0.589157502369 0.407109339095} Si2 3 1
8 {} {0.361592422251 0.611675763496 0.598094751223} O1 4 1
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8 {} {0.444390862783 0.642137246756 0.324689367203} O4 9 1
14 {} {0.243005853184 0.557616974948 0.556254260165} Si3 10 1
7 {} {0.223483748926 0.479645120617 0.59027808234} N1 11 1
14 {} {0.201110197042 0.471363969511 0.697695069324} Si4 12 1
14 {} {0.224062889691 0.411993332653 0.515139380707} Si5 13 1
7 {} {0.217995973787 0.432877040567 0.40460596894} N2 14 1
7 {} {0.150681408173 0.51031625305 0.71812511812} N3 15 1
1 {} {0.36128293882 0.545906987186 0.358984517151} H1 16 1
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1 {} {0.448195255324 0.480984548995 0.330017352052} H8 23 1
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1 {} {0.476847596172 0.638946000093 0.511947706676} H10 25 1
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1 {} {0.186457656706 0.367374837615 0.541810102503} H17 32 1
1 {} {0.245017743564 0.447806214541 0.368851617029} H18 33 1
1 {} {0.19007432909 0.456586401481 0.382712177178} H19 34 1
1 {} {0.149932793427 0.559969869578 0.732825501533} H20 35 1
1 {} {0.122710882232 0.496577087341 0.684401095431} H21 36 1
6 {} {0.622389572058 0.611674917236 0.351557501423} C4 37 1
14 {} {0.579089503092 0.550669518305 0.389680334025} Si6 38 1
14 {} {0.615167142912 0.700418303833 0.38793150144} Si7 39 1
8 {} {0.53271365122 0.595347900057 0.384691579845} O5 40 1
8 {} {0.576581157514 0.486589445043 0.321674793439} O6 41 1
6 {} {0.587752734131 0.517004855787 0.503992776511} C5 42 1
6 {} {0.631722495263 0.716858797061 0.505966525248} C6 43 1
8 {} {0.560494136685 0.717429779537 0.376720257109} O7 44 1
8 {} {0.641663443086 0.750629172263 0.317498892758} O8 45 1
14 {} {0.570287426314 0.425059774578 0.250275929959} Si8 46 1
7 {} {0.582622797955 0.346500019475 0.292802177411} N4 47 1
14 {} {0.539090771556 0.289753427489 0.315795167035} Si9 48 1
14 {} {0.637215479193 0.32059863447 0.317515166891} Si10 49 1
7 {} {0.67825607863 0.366730641343 0.266237434791} N5 50 1
7 {} {0.515267186279 0.24648518347 0.228669973851} N6 51 1
1 {} {0.656516514719 0.595526493649 0.367455915418} H22 52 1
1 {} {0.620243719853 0.612105346176 0.278139324585} H23 53 1
1 {} {0.538559423611 0.644788840302 0.379812117839} H24 54 1
1 {} {0.619260842515 0.489435819211 0.509148084977} H25 55 1
1 {} {0.560963587875 0.482183747873 0.522113403248} H26 56 1
1 {} {0.588193230856 0.557003136115 0.554092937957} H27 57 1
1 {} {0.626188478817 0.769606334051 0.523969301686} H28 58 1
1 {} {0.667214465411 0.705277506569 0.515562379938} H29 59 1
1 {} {0.612454697548 0.686075676804 0.553136788693} H30 60 1
1 {} {0.54857607015 0.762391668325 0.373346059015} H31 61 1
1 {} {0.659468311003 0.786079974314 0.34320922583} H32 62 1
1 {} {0.522764987563 0.422318352586 0.221210184177} H33 63 1
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1 {} {0.691743035132 0.407357826878 0.296591515697} H39 69 1
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1 {} {0.532616466965 0.210846456325 0.194967919566} H42 72 1
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