./iterations/neb0_image05_iter19.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_image05
@Columns AsymmetricAtom
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6 {} {0.36579731383 0.56596464245 0.41249723303} C1 1 1
14 {} {0.342413970307 0.539363131255 0.523085668447} Si1 2 1
14 {} {0.427263753551 0.576530399314 0.40807894856} Si2 3 1
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8 {} {0.439784143548 0.62870792933 0.325276543753} O4 9 1
14 {} {0.237048274803 0.541996065273 0.557386346672} Si3 10 1
7 {} {0.217409265023 0.464021958779 0.591547166573} N1 11 1
14 {} {0.194909831273 0.455727252567 0.698937724424} Si4 12 1
14 {} {0.217921967146 0.396334477635 0.516475717854} Si5 13 1
7 {} {0.21183756825 0.417543970987 0.406097457943} N2 14 1
7 {} {0.144472165191 0.494667985434 0.719268178938} N3 15 1
1 {} {0.355774245811 0.530221652386 0.360231826858} H1 16 1
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1 {} {0.180340798434 0.351674954122 0.543111784267} H17 32 1
1 {} {0.238855156734 0.4321830617 0.370040523536} H18 33 1
1 {} {0.183853739092 0.440906354724 0.383940702373} H19 34 1
1 {} {0.143714180415 0.544299995261 0.734178312437} H20 35 1
1 {} {0.116469420063 0.480958525591 0.685662883457} H21 36 1
6 {} {0.625377070302 0.626828329673 0.350412358691} C4 37 1
14 {} {0.58266909769 0.564286693804 0.387925730315} Si6 38 1
14 {} {0.619519781137 0.715207262084 0.387072300915} Si7 39 1
8 {} {0.533114524177 0.602223483143 0.382608146569} O5 40 1
8 {} {0.58277916755 0.499861589825 0.320740602638} O6 41 1
6 {} {0.593068839014 0.532263339676 0.502905155945} C5 42 1
6 {} {0.637600054061 0.732215373156 0.504232948737} C6 43 1
8 {} {0.564612789113 0.730081686773 0.375567000807} O7 44 1
8 {} {0.647183480551 0.764546120874 0.317189685952} O8 45 1
14 {} {0.576324147506 0.439375111745 0.247783119253} Si8 46 1
7 {} {0.58887070278 0.361226531803 0.29088599968} N4 47 1
14 {} {0.545240927799 0.305040736617 0.314586784048} Si9 48 1
14 {} {0.643441949386 0.335929022437 0.316192353066} Si10 49 1
7 {} {0.684475169974 0.382091816204 0.265095605974} N5 50 1
7 {} {0.521359018785 0.261895985469 0.227234875703} N6 51 1
1 {} {0.658716474872 0.608456370544 0.369195263822} H22 52 1
1 {} {0.624354121867 0.627500475343 0.276802093323} H23 53 1
1 {} {0.535767916224 0.650976459408 0.37819577731} H24 54 1
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1 {} {0.566879174222 0.496808793267 0.523060032768} H26 56 1
1 {} {0.593932442442 0.572834483894 0.552464615471} H27 57 1
1 {} {0.632343075273 0.785000197508 0.522394403097} H28 58 1
1 {} {0.673194827598 0.72082179953 0.513597495021} H29 59 1
1 {} {0.618621025623 0.701681393592 0.552011676527} H30 60 1
1 {} {0.554106334027 0.775886071809 0.372591608507} H31 61 1
1 {} {0.66510161601 0.800228188451 0.342203540848} H32 62 1
1 {} {0.528678164025 0.437392699407 0.219113219274} H33 63 1
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1 {} {0.647232595254 0.264487017849 0.288047609282} H38 68 1
1 {} {0.697765549952 0.422938194365 0.295366927841} H39 69 1
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1 {} {0.499162195815 0.285019119077 0.186629983802} H41 71 1
1 {} {0.538724897805 0.226434149308 0.193660499888} H42 72 1
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