iterations/neb0_image04_iter18.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
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@data
6 {} {0.354800423424 0.545416621457 0.422455820477} C1 1 1
14 {} {0.335742061137 0.512355234925 0.53348364849} Si1 2 1
14 {} {0.40993552048 0.58776081437 0.418196004709} Si2 3 1
8 {} {0.339034297218 0.572595828518 0.608745219038} O1 4 1
8 {} {0.282840219488 0.490309225527 0.525512660629} O2 5 1
6 {} {0.367407664118 0.436433519233 0.568896299662} C2 6 1
6 {} {0.458971216772 0.530277879404 0.411875156854} C3 7 1
8 {} {0.411634043919 0.631966367938 0.51342417032} O3 8 1
8 {} {0.410290939516 0.638681733521 0.330440836815} O4 9 1
14 {} {0.230495689869 0.495953481427 0.556129774238} Si3 10 1
7 {} {0.210860217314 0.417270446521 0.587578324969} N1 11 1
14 {} {0.174840589013 0.412981551894 0.679461779156} Si4 12 1
14 {} {0.226449106064 0.347252711372 0.523598952815} Si5 13 1
7 {} {0.227676433887 0.359547055184 0.409964641585} N2 14 1
7 {} {0.127307037892 0.461272301302 0.67232493958} N3 15 1
1 {} {0.354373077363 0.504989496866 0.372408209525} H1 16 1
1 {} {0.329850568865 0.582535350419 0.40042952267} H2 17 1
1 {} {0.362801509256 0.6048149657 0.595664868269} H3 18 1
1 {} {0.364071602794 0.395427823263 0.520417452926} H4 19 1
1 {} {0.354735755095 0.41837123519 0.633396711399} H5 20 1
1 {} {0.403113602947 0.447417865199 0.577161787812} H6 21 1
1 {} {0.490819287926 0.557722719042 0.411250517264} H7 22 1
1 {} {0.457542465191 0.499543886632 0.351027694894} H8 23 1
1 {} {0.459834235361 0.496233420989 0.46935816651} H9 24 1
1 {} {0.436883260757 0.661324014522 0.523596994483} H10 25 1
1 {} {0.438711140358 0.647276267716 0.301720768346} H11 26 1
1 {} {0.224750071993 0.541668341622 0.634098335579} H12 27 1
1 {} {0.205014951618 0.522594731671 0.478410228429} H13 28 1
1 {} {0.161979880394 0.341281206427 0.687627673303} H14 29 1
1 {} {0.19789534233 0.437363846449 0.761341074595} H15 30 1
1 {} {0.272381760496 0.325606960003 0.548511156031} H16 31 1
1 {} {0.193309399871 0.293859858083 0.54395332694} H17 32 1
1 {} {0.254105982902 0.383657456986 0.382114066489} H18 33 1
1 {} {0.199207370773 0.370355838903 0.376046081913} H19 34 1
1 {} {0.127147978738 0.508901293514 0.696006035992} H20 35 1
1 {} {0.10466407799 0.455350092332 0.622515814919} H21 36 1
6 {} {0.587190290255 0.337298241242 0.30942230208} C4 37 1
14 {} {0.582487014423 0.370663865891 0.426462463888} Si6 38 1
14 {} {0.57120856573 0.248223598841 0.291549137695} Si7 39 1
8 {} {0.611160003774 0.321675079619 0.494466829425} O5 40 1
8 {} {0.605010024511 0.445833197602 0.431395933639} O6 41 1
6 {} {0.523287447473 0.37912531191 0.463123469712} C5 42 1
6 {} {0.510324288839 0.237579364395 0.267945846096} C6 43 1
8 {} {0.586489672483 0.209521252765 0.385783191672} O7 44 1
8 {} {0.60090297152 0.21129772804 0.211583838791} O8 45 1
14 {} {0.648744879835 0.490628990778 0.460125561197} Si8 46 1
7 {} {0.63320917669 0.571718758747 0.48712847706} N4 47 1
14 {} {0.639640873435 0.599419790103 0.59755068944} Si9 48 1
14 {} {0.609327936624 0.625381520338 0.40805556127} Si10 49 1
7 {} {0.620411000166 0.606048167208 0.298601079071} N5 50 1
7 {} {0.692593477294 0.619333841178 0.63401989894} N6 51 1
1 {} {0.56775207043 0.369043570461 0.263480236019} H22 52 1
1 {} {0.622510144232 0.342414976537 0.289825882386} H23 53 1
1 {} {0.609494024304 0.274591222763 0.47695873244} H24 54 1
1 {} {0.504302699087 0.411974920876 0.418370828575} H25 55 1
1 {} {0.521949625571 0.400889301996 0.530524511311} H26 56 1
1 {} {0.506401529478 0.330298222117 0.465509535271} H27 57 1
1 {} {0.501020825645 0.184454399911 0.263299581965} H28 58 1
1 {} {0.501047649663 0.261706838289 0.204572454403} H29 59 1
1 {} {0.48989623462 0.260428416602 0.320707499027} H30 60 1
1 {} {0.58922573383 0.161198175147 0.383505535105} H31 61 1
1 {} {0.587712027992 0.207195084905 0.152893209164} H32 62 1
1 {} {0.670769505622 0.461927507266 0.540726962627} H33 63 1
1 {} {0.68045183563 0.490295193313 0.383405532963} H34 64 1
1 {} {0.612206787378 0.661489848125 0.604064563496} H35 65 1
1 {} {0.623364794245 0.546438829708 0.65910466877} H36 66 1
1 {} {0.559544655268 0.62466396326 0.41573617856} H37 67 1
1 {} {0.626313645937 0.694261785779 0.426105231094} H38 68 1
1 {} {0.604027259786 0.567711211291 0.26840207889} H39 69 1
1 {} {0.652057151753 0.609687948313 0.274203398997} H40 70 1
1 {} {0.713851735917 0.582050008029 0.65165211625} H41 71 1
1 {} {0.709465633887 0.658284767509 0.606678567901} H42 72 1
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