iterations/neb0_image07_iter19.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
WyckoffPosition int -1
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@data
6 {} {0.360282125131 0.530657095466 0.423286250592} C1 1 1
14 {} {0.341412019143 0.497487708933 0.534430203455} Si1 2 1
14 {} {0.414676812923 0.575073328474 0.418248008364} Si2 3 1
8 {} {0.344732223696 0.557788044726 0.60958103596} O1 4 1
8 {} {0.288593834042 0.475542583656 0.526382362233} O2 5 1
6 {} {0.373104529727 0.421513534655 0.569734419018} C2 6 1
6 {} {0.463529427663 0.518809708519 0.411754153061} C3 7 1
8 {} {0.416981719782 0.617719209893 0.514920261789} O3 8 1
8 {} {0.415219193113 0.625300083479 0.329592807805} O4 9 1
14 {} {0.236169211417 0.481064576378 0.556977304337} Si3 10 1
7 {} {0.216578964524 0.402345853864 0.588394728883} N1 11 1
14 {} {0.180567024434 0.398063120896 0.680264067731} Si4 12 1
14 {} {0.232161213622 0.332352668347 0.524401346885} Si5 13 1
7 {} {0.233378300886 0.344817731044 0.410814971263} N2 14 1
7 {} {0.133047064166 0.446410466139 0.673123630323} N3 15 1
1 {} {0.360157028811 0.490207905385 0.373259045424} H1 16 1
1 {} {0.335261206819 0.567518783611 0.401222359194} H2 17 1
1 {} {0.368523232902 0.589928231459 0.596527844314} H3 18 1
1 {} {0.36977027692 0.380495468643 0.521265933822} H4 19 1
1 {} {0.36044441827 0.403410669945 0.634246085668} H5 20 1
1 {} {0.408817324594 0.432448613052 0.578010188831} H6 21 1
1 {} {0.496133581821 0.543904393133 0.412239252325} H7 22 1
1 {} {0.461959319809 0.486761755482 0.35209015049} H8 23 1
1 {} {0.46281217719 0.486215520586 0.470307593685} H9 24 1
1 {} {0.442606867188 0.64649970193 0.524425440239} H10 25 1
1 {} {0.444319284745 0.63250033275 0.302811597121} H11 26 1
1 {} {0.23044301103 0.526738647521 0.634959184803} H12 27 1
1 {} {0.210711313666 0.507659704955 0.479247607555} H13 28 1
1 {} {0.167676480214 0.326382697611 0.688457689777} H14 29 1
1 {} {0.203606735563 0.422440402362 0.762153988879} H15 30 1
1 {} {0.278088234807 0.310677122696 0.549317682686} H16 31 1
1 {} {0.199035891925 0.278953305569 0.544761197193} H17 32 1
1 {} {0.25983763663 0.368771070812 0.382876800219} H18 33 1
1 {} {0.204893069808 0.355462790831 0.376830739848} H19 34 1
1 {} {0.132859239392 0.494032187576 0.696842672148} H20 35 1
1 {} {0.110369436161 0.440437123747 0.623368050971} H21 36 1
6 {} {0.581606481517 0.352120420534 0.308466124587} C4 37 1
14 {} {0.577935689299 0.384384278276 0.426069202121} Si6 38 1
14 {} {0.565492710843 0.263086374392 0.290615131941} Si7 39 1
8 {} {0.606878664782 0.336036168687 0.49401207681} O5 40 1
8 {} {0.599204975246 0.460670952962 0.430531050175} O6 41 1
6 {} {0.519122589878 0.389964954134 0.463792448757} C5 42 1
6 {} {0.50461760795 0.252516399737 0.267061620453} C6 43 1
8 {} {0.580635729597 0.224467333174 0.384940446907} O7 44 1
8 {} {0.59517742803 0.226070088559 0.210752616473} O8 45 1
14 {} {0.642926023918 0.50541685578 0.459248186659} Si8 46 1
7 {} {0.627449534643 0.586513462307 0.486338368977} N4 47 1
14 {} {0.634011127904 0.614317300561 0.59681443123} Si9 48 1
14 {} {0.603613198528 0.64027618713 0.4073468836} Si10 49 1
7 {} {0.614792216212 0.620850304562 0.297729726327} N5 50 1
7 {} {0.686808125711 0.634225790626 0.633311862795} N6 51 1
1 {} {0.562082461371 0.383971616029 0.262768596759} H22 52 1
1 {} {0.616834504884 0.357304815988 0.28880590638} H23 53 1
1 {} {0.603941859615 0.289081992287 0.476342085953} H24 54 1
1 {} {0.501566918723 0.421276469331 0.41594217181} H25 55 1
1 {} {0.516725586565 0.414806745638 0.529693925748} H26 56 1
1 {} {0.501236531842 0.341925533346 0.466122733344} H27 57 1
1 {} {0.495334393762 0.199369105868 0.262472097293} H28 58 1
1 {} {0.495320191135 0.276607747083 0.203689663413} H29 59 1
1 {} {0.484204084056 0.275307207553 0.319896326654} H30 60 1
1 {} {0.583518268643 0.176162129344 0.382683901675} H31 61 1
1 {} {0.582006396364 0.22207249804 0.151997536424} H32 62 1
1 {} {0.665052504191 0.47683465514 0.539840030802} H33 63 1
1 {} {0.674732851785 0.505198882366 0.382544031536} H34 64 1
1 {} {0.606510637611 0.676343819742 0.603144335591} H35 65 1
1 {} {0.617658629108 0.561371686915 0.658126044056} H36 66 1
1 {} {0.55379935469 0.639510165876 0.414839794545} H37 67 1
1 {} {0.620564406367 0.709188435617 0.425244760134} H38 68 1
1 {} {0.598373679468 0.582716153246 0.267586023} H39 69 1
1 {} {0.646252190179 0.624611494343 0.27347289841} H40 70 1
1 {} {0.708251185611 0.5968395071 0.650884506083} H41 71 1
1 {} {0.703833810288 0.673316610691 0.605832118422} H42 72 1
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