iterations/neb0_image04_iter13.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_image04
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
WyckoffPosition int -1
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@data
6 {} {0.354805994861 0.545415834941 0.422462701812} C1 1 1
14 {} {0.335708111281 0.51236726854 0.533456303269} Si1 2 1
14 {} {0.40995377332 0.587713340789 0.418210129465} Si2 3 1
8 {} {0.339046312424 0.572643412262 0.608737020816} O1 4 1
8 {} {0.282863068919 0.49034457119 0.52551322699} O2 5 1
6 {} {0.367401328369 0.436455089603 0.568890214319} C2 6 1
6 {} {0.458978149226 0.530243137613 0.411878233748} C3 7 1
8 {} {0.41164919509 0.631952552552 0.513391006881} O3 8 1
8 {} {0.410334159493 0.638606987881 0.33043038545} O4 9 1
14 {} {0.230470422035 0.49598461789 0.556149719019} Si3 10 1
7 {} {0.210862969629 0.417277563221 0.587588585993} N1 11 1
14 {} {0.174835492614 0.412997266843 0.679454723259} Si4 12 1
14 {} {0.2264472196 0.347264413235 0.523596865874} Si5 13 1
7 {} {0.227687477746 0.359581629358 0.409984084418} N2 14 1
7 {} {0.127306854471 0.461291812225 0.672323957037} N3 15 1
1 {} {0.354359851925 0.505001868205 0.372412885661} H1 16 1
1 {} {0.329868768976 0.582548854858 0.400433919333} H2 17 1
1 {} {0.362785616383 0.604818779456 0.595683073333} H3 18 1
1 {} {0.364067971576 0.395447956812 0.520411286187} H4 19 1
1 {} {0.354728036429 0.418382049994 0.633394306349} H5 20 1
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1 {} {0.490825829746 0.557661961702 0.411255858146} H7 22 1
1 {} {0.457578038763 0.499508517898 0.3510621987} H8 23 1
1 {} {0.459898636628 0.496154817115 0.469322222598} H9 24 1
1 {} {0.436878190958 0.661307929852 0.523599497145} H10 25 1
1 {} {0.438694597229 0.647268287273 0.301726545384} H11 26 1
1 {} {0.224743149769 0.541682870016 0.634109139303} H12 27 1
1 {} {0.205009988156 0.522605298679 0.478426069431} H13 28 1
1 {} {0.161967624715 0.341290537246 0.687605277503} H14 29 1
1 {} {0.19788307966 0.43735598958 0.761343275186} H15 30 1
1 {} {0.272376902206 0.325625032463 0.548520208805} H16 31 1
1 {} {0.193316922599 0.293886406456 0.543948269471} H17 32 1
1 {} {0.254102811105 0.383671377267 0.382111295935} H18 33 1
1 {} {0.199202592945 0.370364181042 0.376040846181} H19 34 1
1 {} {0.127139906082 0.508904961988 0.696013643422} H20 35 1
1 {} {0.104650608307 0.455360452365 0.622493037518} H21 36 1
6 {} {0.587182522047 0.337285924679 0.309427604207} C4 37 1
14 {} {0.58244842023 0.370676678833 0.426466433854} Si6 38 1
14 {} {0.571216880918 0.248212975248 0.291554937903} Si7 39 1
8 {} {0.611106320859 0.321724132701 0.494474082543} O5 40 1
8 {} {0.605022193664 0.445835781956 0.43139958322} O6 41 1
6 {} {0.523285330911 0.379189459824 0.463133941932} C5 42 1
6 {} {0.510331932124 0.237563917042 0.267931751306} C6 43 1
8 {} {0.586488598252 0.209517157887 0.385778124778} O7 44 1
8 {} {0.600904175464 0.211265858574 0.211632107511} O8 45 1
14 {} {0.64874170897 0.49061207234 0.460081566786} Si8 46 1
7 {} {0.633217876707 0.571687008571 0.487150550442} N4 47 1
14 {} {0.639765284442 0.599444356635 0.597558331566} Si9 48 1
14 {} {0.609305666182 0.625412838581 0.408261946302} Si10 49 1
7 {} {0.62049480946 0.606061694942 0.298269854125} N5 50 1
7 {} {0.692409277491 0.619224551297 0.63392112747} N6 51 1
1 {} {0.567749126969 0.369024486075 0.263468549964} H22 52 1
1 {} {0.622508248792 0.342398200097 0.289839932048} H23 53 1
1 {} {0.6094803848 0.274579068759 0.476942373057} H24 54 1
1 {} {0.504258804998 0.412048616512 0.418465424407} H25 55 1
1 {} {0.521937177161 0.400911610279 0.53047339534} H26 56 1
1 {} {0.506379554848 0.330403227953 0.465465744247} H27 57 1
1 {} {0.501006908088 0.184451112482 0.263280799493} H28 58 1
1 {} {0.501057571834 0.261698423681 0.20455769819} H29 59 1
1 {} {0.489900035565 0.260425866084 0.320679221787} H30 60 1
1 {} {0.589210258009 0.16116742502 0.383525847384} H31 61 1
1 {} {0.587715221868 0.207169253689 0.152875472355} H32 62 1
1 {} {0.670776515982 0.461911523897 0.540750472308} H33 63 1
1 {} {0.680462218472 0.490285352382 0.38342324419} H34 64 1
1 {} {0.612206182175 0.66149343584 0.604119760342} H35 65 1
1 {} {0.623365889585 0.546433127901 0.659159749935} H36 66 1
1 {} {0.559562393266 0.624622388831 0.415740294671} H37 67 1
1 {} {0.626323792385 0.694268679162 0.426144424696} H38 68 1
1 {} {0.60407228599 0.567722109722 0.268461719528} H39 69 1
1 {} {0.651985797095 0.609672579331 0.27425456041} H40 70 1
1 {} {0.71390145199 0.581964350699 0.651680943324} H41 71 1
1 {} {0.709503619103 0.658344754044 0.606588109146} H42 72 1
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