iterations/neb0_image07_iter21.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 {{}}
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@data
6 {} {0.360271236497 0.53062240117 0.423291789012} C1 1 1
14 {} {0.341445653388 0.497410932967 0.534448640577} Si1 2 1
14 {} {0.414525636144 0.575416911798 0.41811065434} Si2 3 1
8 {} {0.344766922479 0.557712395939 0.60959187624} O1 4 1
8 {} {0.288619920234 0.475461299976 0.526391402547} O2 5 1
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6 {} {0.463432313551 0.519213253258 0.41156380795} C3 7 1
8 {} {0.416934839645 0.617784312578 0.51502384327} O3 8 1
8 {} {0.415091401558 0.625554606474 0.329326273011} O4 9 1
14 {} {0.23620170885 0.480983604865 0.556971659699} Si3 10 1
7 {} {0.216611057035 0.402254761232 0.588394797514} N1 11 1
14 {} {0.180605095627 0.397979559156 0.680276209338} Si4 12 1
14 {} {0.232191416563 0.332262486842 0.524397750982} Si5 13 1
7 {} {0.233408566648 0.34474787958 0.410811672784} N2 14 1
7 {} {0.133084107498 0.446337043654 0.67313673476} N3 15 1
1 {} {0.360209396728 0.49015948785 0.373269458456} H1 16 1
1 {} {0.335217816682 0.567409634825 0.401215672805} H2 17 1
1 {} {0.368558582454 0.589849996074 0.596535507899} H3 18 1
1 {} {0.369799673506 0.380408313117 0.521279739016} H4 19 1
1 {} {0.360478333573 0.403319750404 0.634255927334} H5 20 1
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1 {} {0.496081848072 0.544078022685 0.412262802463} H7 22 1
1 {} {0.461748550156 0.487074714315 0.352137509524} H8 23 1
1 {} {0.462370851699 0.486930321588 0.470383848455} H9 24 1
1 {} {0.442638330829 0.646450411835 0.524435040638} H10 25 1
1 {} {0.444325854148 0.63245709197 0.302861837049} H11 26 1
1 {} {0.23047550765 0.526650953388 0.634957611161} H12 27 1
1 {} {0.210744898137 0.507575550578 0.479246020049} H13 28 1
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1 {} {0.203644979873 0.422368335747 0.762154652934} H15 30 1
1 {} {0.278117541308 0.310591934598 0.549309228017} H16 31 1
1 {} {0.199066140826 0.278868244108 0.544764738218} H17 32 1
1 {} {0.259869793367 0.368690907668 0.382872435279} H18 33 1
1 {} {0.204919488621 0.355389343865 0.376826821063} H19 34 1
1 {} {0.132895680544 0.493957706403 0.69684141929} H20 35 1
1 {} {0.110402548256 0.440354428133 0.623379804233} H21 36 1
6 {} {0.581605062445 0.352181637275 0.308440384053} C4 37 1
14 {} {0.578136625717 0.384257296196 0.42614731565} Si6 38 1
14 {} {0.565461491477 0.263170532414 0.290591533124} Si7 39 1
8 {} {0.607149304174 0.335991368152 0.494060600072} O5 40 1
8 {} {0.599147285859 0.460694101448 0.430525481595} O6 41 1
6 {} {0.519317454912 0.389385618648 0.464115129698} C5 42 1
6 {} {0.504586385107 0.252602526285 0.267057934894} C6 43 1
8 {} {0.58058027855 0.224558325673 0.384935190647} O7 44 1
8 {} {0.59514065955 0.226147469946 0.210736964724} O8 45 1
14 {} {0.642870649182 0.505482930347 0.459221324677} Si8 46 1
7 {} {0.627417043018 0.586567536463 0.486419580677} N4 47 1
14 {} {0.63397223411 0.614387703713 0.596772359679} Si9 48 1
14 {} {0.603571585507 0.640345932923 0.407312074112} Si10 49 1
7 {} {0.614773705869 0.620864180003 0.297821861418} N5 50 1
7 {} {0.686783468848 0.634334380784 0.633398343568} N6 51 1
1 {} {0.562060448279 0.384063417184 0.2628032286} H22 52 1
1 {} {0.616822227045 0.357383006959 0.288742878318} H23 53 1
1 {} {0.603955330125 0.289066280034 0.476389861472} H24 54 1
1 {} {0.501987559994 0.420484231655 0.415553254748} H25 55 1
1 {} {0.516785915992 0.414659230543 0.52966182837} H26 56 1
1 {} {0.501333238917 0.341365872568 0.466416749366} H27 57 1
1 {} {0.495315625079 0.199452076794 0.262478826387} H28 58 1
1 {} {0.495278930612 0.276683875984 0.203685489763} H29 59 1
1 {} {0.484176389377 0.275375489008 0.319909161638} H30 60 1
1 {} {0.583499624379 0.176249813718 0.382672485596} H31 61 1
1 {} {0.581973199352 0.222154735104 0.151975394033} H32 62 1
1 {} {0.665019364501 0.476917504831 0.539828612748} H33 63 1
1 {} {0.67468931317 0.505278064546 0.382533074498} H34 64 1
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1 {} {0.553747093675 0.639605128088 0.414811175359} H37 67 1
1 {} {0.620525893846 0.70927806851 0.425200119417} H38 68 1
1 {} {0.598335790453 0.582827510088 0.267562652769} H39 69 1
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1 {} {0.708233543289 0.596907715065 0.650889523044} H41 71 1
1 {} {0.703818861046 0.673428235069 0.605840087029} H42 72 1
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