iterations/neb0_image01_iter27.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_image01
@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 {} {0.349262958763 0.559844936515 0.421599464097} C1 1 1
14 {} {0.330192579812 0.526807945471 0.532660171392} Si1 2 1
14 {} {0.404464863266 0.602012690655 0.417379581382} Si2 3 1
8 {} {0.333479397857 0.587083704246 0.6079364929} O1 4 1
8 {} {0.277228655515 0.504952348289 0.524682376452} O2 5 1
6 {} {0.361853740113 0.450871119108 0.568101704057} C2 6 1
6 {} {0.453580177161 0.544427327646 0.411140125191} C3 7 1
8 {} {0.406142604421 0.646264195782 0.512596179507} O3 8 1
8 {} {0.40481738186 0.653180099303 0.329844356269} O4 9 1
14 {} {0.224925439357 0.510463498261 0.555294104751} Si3 10 1
7 {} {0.205318712751 0.43175228229 0.58678413856} N1 11 1
14 {} {0.169311817107 0.427500430545 0.678691698457} Si4 12 1
14 {} {0.22092508955 0.361765392353 0.522757069302} Si5 13 1
7 {} {0.222127301785 0.374358987192 0.409221832668} N2 14 1
7 {} {0.121806883704 0.475846576649 0.671551202502} N3 15 1
1 {} {0.348827164633 0.519406786983 0.371575159074} H1 16 1
1 {} {0.324285206667 0.596947672616 0.399635396562} H2 17 1
1 {} {0.357248680511 0.619248586703 0.594836580509} H3 18 1
1 {} {0.358544919753 0.409861219501 0.519627987549} H4 19 1
1 {} {0.349216760132 0.432815130083 0.632627966308} H5 20 1
1 {} {0.397563213124 0.46190050455 0.576353307986} H6 21 1
1 {} {0.485374647205 0.572059235418 0.410423014226} H7 22 1
1 {} {0.452218132447 0.513790304976 0.350206772486} H8 23 1
1 {} {0.454536044114 0.510258075062 0.468590467306} H9 24 1
1 {} {0.431295097832 0.675786099471 0.522776318886} H10 25 1
1 {} {0.433133352244 0.661666229499 0.300797490279} H11 26 1
1 {} {0.219192677191 0.556145353132 0.633318127933} H12 27 1
1 {} {0.199437872905 0.537081260439 0.477562768015} H13 28 1
1 {} {0.156439668666 0.355779750707 0.686861435943} H14 29 1
1 {} {0.192377733583 0.451853902971 0.760541860617} H15 30 1
1 {} {0.266859038677 0.340064636552 0.547642227404} H16 31 1
1 {} {0.187796320124 0.30833949114 0.543094524373} H17 32 1
1 {} {0.248598407363 0.398191526777 0.381199487868} H18 33 1
1 {} {0.193652569722 0.384896173624 0.375162615719} H19 34 1
1 {} {0.121625278425 0.523465630775 0.695201510329} H20 35 1
1 {} {0.0991482348022 0.469852403679 0.621772331228} H21 36 1
6 {} {0.592700598548 0.322789415517 0.310235381673} C4 37 1
14 {} {0.587914441009 0.356371820994 0.427192810095} Si6 38 1
14 {} {0.576741246854 0.233721502159 0.292345808621} Si7 39 1
8 {} {0.61651805949 0.307273945822 0.495271886043} O5 40 1
8 {} {0.610560942462 0.431375480906 0.432229341491} O6 41 1
6 {} {0.528646252966 0.365104740334 0.463797664969} C5 42 1
6 {} {0.515841556492 0.223045182806 0.268771099355} C6 43 1
8 {} {0.592091433264 0.195084198079 0.386587787352} O7 44 1
8 {} {0.606456213889 0.196661302772 0.212479185136} O8 45 1
14 {} {0.654311637544 0.476242845304 0.460859115085} Si8 46 1
7 {} {0.638812577297 0.557278318598 0.487941020602} N4 47 1
14 {} {0.64523711322 0.584895625021 0.598316901126} Si9 48 1
14 {} {0.614803783172 0.610903506465 0.408936943804} Si10 49 1
7 {} {0.625990911499 0.591511083751 0.299454630645} N5 50 1
7 {} {0.698133840738 0.604740119058 0.634846026455} N6 51 1
1 {} {0.573286261517 0.354556440402 0.264281713902} H22 52 1
1 {} {0.628034801511 0.327907133558 0.290640751437} H23 53 1
1 {} {0.615008415917 0.260140677315 0.477715486874} H24 54 1
1 {} {0.509514064899 0.39811429017 0.419277869793} H25 55 1
1 {} {0.527416456416 0.386515903858 0.531349937932} H26 56 1
1 {} {0.511856983777 0.316198910984 0.466106340953} H27 57 1
1 {} {0.506564303423 0.169921462031 0.264130715963} H28 58 1
1 {} {0.506561716744 0.247192022033 0.205408481661} H29 59 1
1 {} {0.495425135095 0.245915403851 0.321541059805} H30 60 1
1 {} {0.59480920994 0.146742949331 0.384288278612} H31 61 1
1 {} {0.593279555111 0.192722198556 0.153709589545} H32 62 1
1 {} {0.676331768542 0.447436062671 0.541517274166} H33 63 1
1 {} {0.686002091414 0.475801044228 0.384172480406} H34 64 1
1 {} {0.617760075418 0.646985537503 0.604861407985} H35 65 1
1 {} {0.628904459508 0.531843787234 0.659959271192} H36 66 1
1 {} {0.565089896012 0.610184964804 0.416612284028} H37 67 1
1 {} {0.631880626212 0.679712678658 0.426865336512} H38 68 1
1 {} {0.609463797365 0.553237932408 0.269176422974} H39 69 1
1 {} {0.657613549274 0.595172370007 0.275072059933} H40 70 1
1 {} {0.719439246666 0.567533448444 0.652488665115} H41 71 1
1 {} {0.71502031955 0.643750485333 0.607597417009} H42 72 1
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