iterations/neb0_image07_iter17.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 {} {0.360326533351 0.530739683795 0.423276199581} C1 1 1
14 {} {0.341369555538 0.497654871175 0.534372381255} Si1 2 1
14 {} {0.414919731631 0.574457024849 0.418550976849} Si2 3 1
8 {} {0.34466287453 0.55794563698 0.609568873902} O1 4 1
8 {} {0.288500188489 0.475696749055 0.526374792618} O2 5 1
6 {} {0.373041618981 0.421680345966 0.569720054908} C2 6 1
6 {} {0.463756653709 0.517940433399 0.412007390355} C3 7 1
8 {} {0.417091223605 0.617553754187 0.514631730522} O3 8 1
8 {} {0.415502903939 0.624711705082 0.330227895846} O4 9 1
14 {} {0.236122361163 0.481245746515 0.556973153817} Si3 10 1
7 {} {0.216513021768 0.402520194396 0.588395403804} N1 11 1
14 {} {0.180492213714 0.39822664218 0.680253953268} Si4 12 1
14 {} {0.232103638106 0.332523894861 0.524406311542} Si5 13 1
7 {} {0.233321129346 0.344962533106 0.410821664325} N2 14 1
7 {} {0.132971516694 0.446569847749 0.67310492856} N3 15 1
1 {} {0.360046272975 0.490300521163 0.373233644129} H1 16 1
1 {} {0.335360684258 0.567732032153 0.401239769678} H2 17 1
1 {} {0.368450363762 0.590083995198 0.596510478128} H3 18 1
1 {} {0.369710744343 0.380670374919 0.521236049026} H4 19 1
1 {} {0.360376264235 0.403593447604 0.634228118042} H5 20 1
1 {} {0.408757461049 0.43263375848 0.578001249423} H6 21 1
1 {} {0.496186355394 0.543478136317 0.412205509069} H7 22 1
1 {} {0.462400042269 0.486214733494 0.352189676803} H8 23 1
1 {} {0.463716684291 0.484824689612 0.470057798086} H9 24 1
1 {} {0.442538385673 0.646596244908 0.524409598604} H10 25 1
1 {} {0.444302029762 0.632596960863 0.302696299717} H11 26 1
1 {} {0.230377877468 0.526912824488 0.634958742967} H12 27 1
1 {} {0.210645538536 0.507827151629 0.479254998641} H13 28 1
1 {} {0.167602465457 0.326538467868 0.688425390274} H14 29 1
1 {} {0.203528729631 0.422584706921 0.762148281176} H15 30 1
1 {} {0.278025342789 0.310851826458 0.549334171933} H16 31 1
1 {} {0.198976564948 0.27912971349 0.544753513776} H17 32 1
1 {} {0.259770728472 0.368930327336 0.382888809302} H18 33 1
1 {} {0.204837436914 0.355611170477 0.376836788064} H19 34 1
1 {} {0.132786312463 0.494178470242 0.696845181559} H20 35 1
1 {} {0.110298513488 0.440601335845 0.623335159078} H21 36 1
6 {} {0.581594682876 0.351989897186 0.30855388039} C4 37 1
14 {} {0.577535768014 0.38471121702 0.425900350599} Si6 38 1
14 {} {0.565563429348 0.262935444743 0.290653789526} Si7 39 1
8 {} {0.606291084351 0.33613954568 0.493867419192} O5 40 1
8 {} {0.599286311602 0.460532610114 0.430545851686} O6 41 1
6 {} {0.518791815163 0.391139002994 0.463423381743} C5 42 1
6 {} {0.504676937245 0.252333767906 0.267071643824} C6 43 1
8 {} {0.58074611862 0.224293620536 0.384954814066} O7 44 1
8 {} {0.595251143881 0.225909587654 0.210787123273} O8 45 1
14 {} {0.643040580356 0.505311506459 0.459233331724} Si8 46 1
7 {} {0.627547354644 0.586389956449 0.486395466604} N4 47 1
14 {} {0.634054438002 0.61415252022 0.596743809275} Si9 48 1
14 {} {0.603692339665 0.640139293885 0.40727346234} Si10 49 1
7 {} {0.614810679838 0.620847398012 0.297615300378} N5 50 1
7 {} {0.686886590999 0.634001586214 0.633156484553} N6 51 1
1 {} {0.562128020577 0.383785562597 0.262702931204} H22 52 1
1 {} {0.616869825326 0.357147456063 0.288926365944} H23 53 1
1 {} {0.603917836656 0.289131975612 0.476254382743} H24 54 1
1 {} {0.500708266261 0.422853284612 0.41674698421} H25 55 1
1 {} {0.516600183679 0.415038456917 0.529504770963} H26 56 1
1 {} {0.501036198022 0.343123155465 0.465488304199} H27 57 1
1 {} {0.495371831602 0.199205766292 0.262458386512} H28 58 1
1 {} {0.495404167123 0.276454558117 0.203696940456} H29 59 1
1 {} {0.484260123124 0.275169420068 0.319870185533} H30 60 1
1 {} {0.583556759496 0.175969997492 0.382709335611} H31 61 1
1 {} {0.582072914641 0.221905430432 0.152038892382} H32 62 1
1 {} {0.665127200286 0.476662964471 0.539899686784} H33 63 1
1 {} {0.674821853178 0.505036372239 0.382579145436} H34 64 1
1 {} {0.606574450735 0.676224389484 0.603255724851} H35 65 1
1 {} {0.617724932464 0.561197300025 0.658291848765} H36 66 1
1 {} {0.553898206466 0.639321017396 0.414900044203} H37 67 1
1 {} {0.620644303361 0.709021456297 0.425342261279} H38 68 1
1 {} {0.598454851273 0.582489300682 0.267630221031} H39 69 1
1 {} {0.646356053963 0.624440209008 0.273451217297} H40 70 1
1 {} {0.708283041401 0.596702639312 0.650876857017} H41 71 1
1 {} {0.703861722725 0.673098680475 0.605810784498} H42 72 1
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