iterations/neb0_image03_iter26.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_image03
@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 {} {0.352983799483 0.550226213491 0.422169233153} C1 1 1
14 {} {0.333953282621 0.517219637094 0.533261022823} Si1 2 1
14 {} {0.408177694089 0.592510630244 0.41793582255} Si2 3 1
8 {} {0.337202891177 0.577494525573 0.608517178297} O1 4 1
8 {} {0.280987044745 0.495326677971 0.525230579695} O2 5 1
6 {} {0.365558192899 0.441227412878 0.568672219512} C2 6 1
6 {} {0.457219546587 0.53493355579 0.411659592814} C3 7 1
8 {} {0.409837785495 0.636714142469 0.513177504625} O3 8 1
8 {} {0.408498502074 0.643512411166 0.33024861604} O4 9 1
14 {} {0.228716320997 0.500856463101 0.555862833432} Si3 10 1
7 {} {0.209047137718 0.422143415801 0.587318164771} N1 11 1
14 {} {0.173002155844 0.417863321864 0.679124625606} Si4 12 1
14 {} {0.224602898778 0.352150228782 0.523326071866} Si5 13 1
7 {} {0.225820493749 0.364684626583 0.409771508196} N2 14 1
7 {} {0.125499971388 0.466206318807 0.672028777101} N3 15 1
1 {} {0.352558300828 0.509777396767 0.372153916966} H1 16 1
1 {} {0.327996833175 0.587299085068 0.400183093551} H2 17 1
1 {} {0.360962138443 0.60964742806 0.595415145258} H3 18 1
1 {} {0.362228413073 0.400233124993 0.520174399577} H4 19 1
1 {} {0.352908056528 0.423156163759 0.633181029628} H5 20 1
1 {} {0.401278131935 0.452201963575 0.576915264308} H6 21 1
1 {} {0.489042184003 0.562494600216 0.410994678711} H7 22 1
1 {} {0.455797343868 0.50427044687 0.350743579326} H8 23 1
1 {} {0.458109093507 0.500810249275 0.469140882496} H9 24 1
1 {} {0.435026103548 0.666155628322 0.52337407656} H10 25 1
1 {} {0.43684163997 0.652097306044 0.301403061399} H11 26 1
1 {} {0.222922033664 0.546503286268 0.633887145749} H12 27 1
1 {} {0.203183742444 0.527423311418 0.478152828964} H13 28 1
1 {} {0.160133938808 0.346149709304 0.687336258919} H14 29 1
1 {} {0.196057959616 0.442184463586 0.761005452926} H15 30 1
1 {} {0.270529106199 0.33041733802 0.548193198949} H16 31 1
1 {} {0.191480790201 0.298715767076 0.543647943029} H17 32 1
1 {} {0.252288221583 0.388517812779 0.381764246686} H18 33 1
1 {} {0.197344776396 0.375243659995 0.37570779987} H19 34 1
1 {} {0.125314668673 0.513802431147 0.695723039274} H20 35 1
1 {} {0.102817581436 0.460204342082 0.622282408301} H21 36 1
6 {} {0.589009135654 0.33240156054 0.309704839464} C4 37 1
14 {} {0.584265177426 0.365902897317 0.426736809351} Si6 38 1
14 {} {0.573024926815 0.243339466923 0.291698453207} Si7 39 1
8 {} {0.612973606258 0.316892772256 0.494726906399} O5 40 1
8 {} {0.606837783033 0.440968558847 0.43169413881} O6 41 1
6 {} {0.525016115823 0.374493440231 0.463361460342} C5 42 1
6 {} {0.512134110746 0.232708096667 0.26816833403} C6 43 1
8 {} {0.588160554817 0.204725671893 0.386086555755} O7 44 1
8 {} {0.602698877743 0.206236890086 0.211887558858} O8 45 1
14 {} {0.650613229344 0.485809563271 0.460350779148} Si8 46 1
7 {} {0.635070258759 0.566861714737 0.487401894088} N4 47 1
14 {} {0.641533244555 0.594561415655 0.597707935638} Si9 48 1
14 {} {0.611136193218 0.620537534165 0.408395131653} Si10 49 1
7 {} {0.622294386095 0.601178824931 0.298906271897} N5 50 1
7 {} {0.694400758481 0.614427466716 0.634371252777} N6 51 1
1 {} {0.569597817017 0.364210348087 0.263783307945} H22 52 1
1 {} {0.624340593403 0.337571992478 0.290122664932} H23 53 1
1 {} {0.611329968553 0.269747360647 0.477217981015} H24 54 1
1 {} {0.505989962137 0.407451836818 0.418663793591} H25 55 1
1 {} {0.523744152506 0.396082531595 0.530807480324} H26 56 1
1 {} {0.508202674097 0.325622879693 0.465697663842} H27 57 1
1 {} {0.502880414166 0.179574680235 0.263577728944} H28 58 1
1 {} {0.502845190166 0.256854750054 0.204817462673} H29 59 1
1 {} {0.491746335302 0.255566742215 0.320996366651} H30 60 1
1 {} {0.591090563603 0.156406606078 0.383749705389} H31 61 1
1 {} {0.5895550635 0.20235006311 0.153071185771} H32 62 1
1 {} {0.672643285686 0.457070598938 0.54103900198} H33 63 1
1 {} {0.682302052757 0.485435052941 0.383676890648} H34 64 1
1 {} {0.614041193699 0.656627887767 0.604235240702} H35 65 1
1 {} {0.625181916146 0.541512704018 0.659313703514} H36 66 1
1 {} {0.561392235612 0.619878748919 0.416034809345} H37 67 1
1 {} {0.628164997546 0.689371213112 0.426307814564} H38 68 1
1 {} {0.605780078784 0.562878304306 0.26861175774} H39 69 1
1 {} {0.653884797078 0.604850432342 0.274513988755} H40 70 1
1 {} {0.715718370107 0.577205706576 0.651928050637} H41 71 1
1 {} {0.711303175973 0.653434947235 0.607038129244} H42 72 1
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