iterations/neb0_image04_iter22.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 {{}}
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@data
6 {} {0.354799878699 0.545402424012 0.42246178793} C1 1 1
14 {} {0.335735757088 0.512300370238 0.533482829752} Si1 2 1
14 {} {0.409893490096 0.587850748942 0.418171823038} Si2 3 1
8 {} {0.339062518932 0.572565191919 0.608752110258} O1 4 1
8 {} {0.282867098902 0.490244880727 0.525493363067} O2 5 1
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8 {} {0.411633297973 0.631976144921 0.513474026341} O3 8 1
8 {} {0.410276177073 0.638807426309 0.33041620908} O4 9 1
14 {} {0.230487577995 0.495908825932 0.556119449505} Si3 10 1
7 {} {0.210861081369 0.417231084217 0.587570724496} N1 11 1
14 {} {0.174852644991 0.412969936895 0.679471498767} Si4 12 1
14 {} {0.226445425018 0.347217529967 0.523581650565} Si5 13 1
7 {} {0.227685964197 0.35947616947 0.409937424342} N2 14 1
7 {} {0.12731370918 0.461248942842 0.672370058133} N3 15 1
1 {} {0.35439163243 0.504976487123 0.372414848699} H1 16 1
1 {} {0.329837335272 0.582496996592 0.400428837546} H2 17 1
1 {} {0.362799283513 0.604774420049 0.595656852079} H3 18 1
1 {} {0.364075930392 0.395397389372 0.520434444132} H4 19 1
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1 {} {0.490790865559 0.557787502964 0.411267296193} H7 22 1
1 {} {0.457480164586 0.499624930674 0.351035454909} H8 23 1
1 {} {0.459723858492 0.496411890667 0.469371295789} H9 24 1
1 {} {0.436878477163 0.661335897616 0.523585909043} H10 25 1
1 {} {0.43869744116 0.647276754441 0.30175759879} H11 26 1
1 {} {0.224767034892 0.541640306029 0.63406427739} H12 27 1
1 {} {0.205032460551 0.522578705838 0.478390419305} H13 28 1
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1 {} {0.197916313075 0.437376185333 0.761341481259} H15 30 1
1 {} {0.272383651854 0.325581127943 0.548488374854} H16 31 1
1 {} {0.1933027134 0.293825255514 0.543965142989} H17 32 1
1 {} {0.254100771635 0.383626797573 0.3821279919} H18 33 1
1 {} {0.199204898443 0.370347998928 0.37604601232} H19 34 1
1 {} {0.127165278402 0.508885805431 0.695989373093} H20 35 1
1 {} {0.104675103623 0.455325990964 0.622524168714} H21 36 1
6 {} {0.587199429642 0.33733118377 0.309412839698} C4 37 1
14 {} {0.58253391262 0.370612924102 0.42648315416} Si6 38 1
14 {} {0.571204117044 0.248261353528 0.291551768457} Si7 39 1
8 {} {0.611234472573 0.32168353385 0.494471529905} O5 40 1
8 {} {0.605000515062 0.445845077258 0.431387156548} O6 41 1
6 {} {0.523343772789 0.378972762131 0.463185646552} C5 42 1
6 {} {0.510321720028 0.237603708756 0.26797247622} C6 43 1
8 {} {0.586483843356 0.20955242919 0.385772703524} O7 44 1
8 {} {0.600896188518 0.211377093205 0.211577113578} O8 45 1
14 {} {0.648726943045 0.490625052149 0.46012362278} Si8 46 1
7 {} {0.633186934999 0.571719658599 0.487146471966} N4 47 1
14 {} {0.639707378021 0.599486237127 0.597580708799} Si9 48 1
14 {} {0.609285694389 0.625395379937 0.408192713396} Si10 49 1
7 {} {0.620496116035 0.605867966531 0.29864704} N5 50 1
7 {} {0.692488692495 0.619401815891 0.634197194285} N6 51 1
1 {} {0.56775234826 0.36907707916 0.263483943091} H22 52 1
1 {} {0.622516760449 0.342444389409 0.289806575216} H23 53 1
1 {} {0.609509678526 0.274567596972 0.476954411563} H24 54 1
1 {} {0.504411011118 0.411783849791 0.418267395394} H25 55 1
1 {} {0.521964093203 0.400843159133 0.530501662361} H26 56 1
1 {} {0.506432293393 0.330156945895 0.465557188889} H27 57 1
1 {} {0.50104129738 0.184472889336 0.263331948772} H28 58 1
1 {} {0.501027704663 0.261715516654 0.204598520607} H29 59 1
1 {} {0.489893235669 0.260425114906 0.320753282921} H30 60 1
1 {} {0.589257057376 0.161218148444 0.383476832075} H31 61 1
1 {} {0.587696122155 0.207234264192 0.152858801709} H32 62 1
1 {} {0.670765102784 0.461959950603 0.540723507313} H33 63 1
1 {} {0.680426763133 0.490321124731 0.383386472409} H34 64 1
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1 {} {0.559503463484 0.624747513223 0.415690214873} H37 67 1
1 {} {0.626305829389 0.694285049808 0.425984799755} H38 68 1
1 {} {0.603984311628 0.56779663672 0.268356055826} H39 69 1
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1 {} {0.713870979162 0.582036377096 0.651668857412} H41 71 1
1 {} {0.709502076389 0.658391178514 0.606673293549} H42 72 1
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