iterations/neb0_image07_iter24.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
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@data
6 {} {0.36029625327 0.5307435835 0.423254640162} C1 1 1
14 {} {0.3414974082 0.497409023351 0.534474747229} Si1 2 1
14 {} {0.414549166975 0.575641533691 0.417938234199} Si2 3 1
8 {} {0.344787935596 0.557658008248 0.609620850814} O1 4 1
8 {} {0.288558661342 0.475383566548 0.526421129713} O2 5 1
6 {} {0.373150516786 0.421373237348 0.569744729106} C2 6 1
6 {} {0.463401169816 0.51926411277 0.411570398158} C3 7 1
8 {} {0.416821409878 0.618023877916 0.514783032579} O3 8 1
8 {} {0.41495188033 0.625884180814 0.329336938137} O4 9 1
14 {} {0.2362798653 0.480901503688 0.556944098315} Si3 10 1
7 {} {0.216633041553 0.402213243767 0.588392918311} N1 11 1
14 {} {0.180635364562 0.397951017543 0.680277322721} Si4 12 1
14 {} {0.232207620938 0.332228724306 0.524388692213} Si5 13 1
7 {} {0.233427241762 0.344701921831 0.410817370378} N2 14 1
7 {} {0.133117351722 0.446286648235 0.673143623489} N3 15 1
1 {} {0.360268464203 0.49018723627 0.373267996978} H1 16 1
1 {} {0.335015078667 0.567335024151 0.401161655445} H2 17 1
1 {} {0.368584116406 0.589801231643 0.596559003688} H3 18 1
1 {} {0.369819287982 0.38035159928 0.521286124002} H4 19 1
1 {} {0.360501024467 0.403272136635 0.634245830744} H5 20 1
1 {} {0.408874381334 0.432294245972 0.578015535758} H6 21 1
1 {} {0.496114968573 0.544480536631 0.412179567113} H7 22 1
1 {} {0.461606669882 0.487181350487 0.351942386952} H8 23 1
1 {} {0.462200822824 0.486910648633 0.470737683804} H9 24 1
1 {} {0.442629908929 0.646437097952 0.524508972461} H10 25 1
1 {} {0.444209538756 0.632478826183 0.302902572434} H11 26 1
1 {} {0.230494038653 0.526593039299 0.634963838824} H12 27 1
1 {} {0.210763229672 0.507518747766 0.479228927926} H13 28 1
1 {} {0.167736397209 0.32623592892 0.688491680344} H14 29 1
1 {} {0.203675131584 0.422319183104 0.762155599782} H15 30 1
1 {} {0.278142922582 0.310525845881 0.549298824274} H16 31 1
1 {} {0.199082977533 0.278799113232 0.544762041097} H17 32 1
1 {} {0.25988084371 0.368629952845 0.382871144819} H18 33 1
1 {} {0.204947241604 0.355341711301 0.376823558292} H19 34 1
1 {} {0.132923454758 0.49388863293 0.696830085859} H20 35 1
1 {} {0.110431166204 0.440299398787 0.623403760517} H21 36 1
6 {} {0.581664659498 0.352150167997 0.308458146535} C4 37 1
14 {} {0.578073568994 0.384155866627 0.426496597158} Si6 38 1
14 {} {0.565450359124 0.263201293558 0.290534557573} Si7 39 1
8 {} {0.607601807528 0.335842345892 0.493912207743} O5 40 1
8 {} {0.599076227368 0.460495451802 0.430553604268} O6 41 1
6 {} {0.51925108486 0.389296608748 0.464291131538} C5 42 1
6 {} {0.504554265634 0.252650144056 0.267055993866} C6 43 1
8 {} {0.580549565877 0.224626617949 0.384958356944} O7 44 1
8 {} {0.59511942452 0.226186677696 0.210709564462} O8 45 1
14 {} {0.642936964816 0.50561724389 0.459247074529} Si8 46 1
7 {} {0.627343492573 0.586668655448 0.486200696496} N4 47 1
14 {} {0.634042916853 0.614522600426 0.596794634657} Si9 48 1
14 {} {0.603532021733 0.640408419124 0.407476699391} Si10 49 1
7 {} {0.614700201455 0.620978482739 0.297971805894} N5 50 1
7 {} {0.686874576406 0.634392472637 0.63337708996} N6 51 1
1 {} {0.562056941915 0.384154900539 0.262977420658} H22 52 1
1 {} {0.616899187548 0.357403378502 0.288502667125} H23 53 1
1 {} {0.604062773886 0.288896120528 0.476552557135} H24 54 1
1 {} {0.50191534426 0.420392368964 0.415104990662} H25 55 1
1 {} {0.51683452285 0.414261790482 0.529424284616} H26 56 1
1 {} {0.501658209159 0.340969875765 0.466900349057} H27 57 1
1 {} {0.495311257696 0.199514899831 0.262481804484} H28 58 1
1 {} {0.495241913018 0.276745086724 0.203681679826} H29 59 1
1 {} {0.484156054138 0.275433209897 0.319914631355} H30 60 1
1 {} {0.583487620453 0.176309038792 0.38266665761} H31 61 1
1 {} {0.581950241104 0.22220847349 0.151962715062} H32 62 1
1 {} {0.664980950926 0.476950870238 0.539792952622} H33 63 1
1 {} {0.674621453251 0.505318207478 0.382568617585} H34 64 1
1 {} {0.606445745533 0.676487249592 0.603060440179} H35 65 1
1 {} {0.617578182969 0.561417085867 0.658135954801} H36 66 1
1 {} {0.553750446623 0.639663620499 0.414799413688} H37 67 1
1 {} {0.620491464791 0.709280305782 0.425176123126} H38 68 1
1 {} {0.598218398788 0.582742487046 0.267419951151} H39 69 1
1 {} {0.646323606 0.624780186986 0.273392004169} H40 70 1
1 {} {0.708126208715 0.597143056215 0.650799763022} H41 71 1
1 {} {0.703733767704 0.673315347579 0.605987677579} H42 72 1
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