iterations/neb0_image01_iter3.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_image01
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
WyckoffPosition int -1
@end
@data
6 {} {0.349279408823 0.559909530184 0.42161842463} C1 1 1
14 {} {0.330180462264 0.526856064435 0.532669091351} Si1 2 1
14 {} {0.404461186386 0.602011768911 0.417429664802} Si2 3 1
8 {} {0.333478769292 0.587177028636 0.607945100986} O1 4 1
8 {} {0.27734022344 0.504930898158 0.524727933794} O2 5 1
6 {} {0.361873291652 0.450928681891 0.568078591551} C2 6 1
6 {} {0.453590210121 0.544423852006 0.411159903361} C3 7 1
8 {} {0.406122050447 0.646424478646 0.51252092533} O3 8 1
8 {} {0.404830082702 0.652940790979 0.329654267083} O4 9 1
14 {} {0.224938686374 0.510475163925 0.555377450726} Si3 10 1
7 {} {0.205334664189 0.431804107613 0.586781845933} N1 11 1
14 {} {0.169291308966 0.427475191137 0.678606571007} Si4 12 1
14 {} {0.220927047276 0.361804179434 0.522815774224} Si5 13 1
7 {} {0.222152720034 0.374175624351 0.409231174648} N2 14 1
7 {} {0.121783436301 0.475795316437 0.671470435987} N3 15 1
1 {} {0.348817444067 0.519465330956 0.371590705524} H1 16 1
1 {} {0.324332578218 0.597060974828 0.399626895334} H2 17 1
1 {} {0.357251626768 0.619302944439 0.594891242348} H3 18 1
1 {} {0.358539827698 0.409932283386 0.519576956076} H4 19 1
1 {} {0.3491891249 0.432873579557 0.632576524704} H5 20 1
1 {} {0.397575279791 0.461906743897 0.576366971135} H6 21 1
1 {} {0.485361006969 0.572062792616 0.410386565173} H7 22 1
1 {} {0.452155375848 0.513827010337 0.350193638812} H8 23 1
1 {} {0.454543386518 0.510244277609 0.468604169488} H9 24 1
1 {} {0.431352826981 0.67574693122 0.522823166975} H10 25 1
1 {} {0.433168211502 0.66171432752 0.300869813992} H11 26 1
1 {} {0.219194428557 0.556172843896 0.633359388684} H12 27 1
1 {} {0.199457331004 0.537074108915 0.477642887096} H13 28 1
1 {} {0.15640390465 0.355744246656 0.686768757361} H14 29 1
1 {} {0.192329869443 0.451790739591 0.760537232691} H15 30 1
1 {} {0.266860078403 0.340097244099 0.547749830025} H16 31 1
1 {} {0.187799017192 0.308371100535 0.543127441257} H17 32 1
1 {} {0.2485828683 0.398158687983 0.381293733239} H18 33 1
1 {} {0.193676294596 0.384824847383 0.375231333408} H19 34 1
1 {} {0.121591671689 0.523371733153 0.695226418268} H20 35 1
1 {} {0.0991150859406 0.469843412322 0.621685000344} H21 36 1
6 {} {0.59270248537 0.322768032749 0.310253420244} C4 37 1
14 {} {0.587909095639 0.356286072922 0.427211098355} Si6 38 1
14 {} {0.57673367212 0.233675516379 0.29233219711} Si7 39 1
8 {} {0.616546216311 0.307254804208 0.495254107239} O5 40 1
8 {} {0.610576265624 0.431400966189 0.432236766384} O6 41 1
6 {} {0.528673626936 0.365033573667 0.463872666502} C5 42 1
6 {} {0.515844918044 0.223076927991 0.268699815981} C6 43 1
8 {} {0.592034632161 0.195042966671 0.386604316617} O7 44 1
8 {} {0.606466283778 0.196674512345 0.212457845721} O8 45 1
14 {} {0.654307086405 0.476192789943 0.460969049115} Si8 46 1
7 {} {0.638747474599 0.55727900958 0.487638316434} N4 47 1
14 {} {0.645273429413 0.584964612863 0.598487144599} Si9 48 1
14 {} {0.61483776717 0.610950747689 0.409064860567} Si10 49 1
7 {} {0.625967425314 0.591831560641 0.298787704021} N5 50 1
7 {} {0.697986772047 0.604617618505 0.634443675845} N6 51 1
1 {} {0.573279006706 0.354526831565 0.264295032395} H22 52 1
1 {} {0.628024149697 0.327901769498 0.290652708608} H23 53 1
1 {} {0.614995976429 0.260119600833 0.477763742942} H24 54 1
1 {} {0.509536927748 0.398020273353 0.419285163731} H25 55 1
1 {} {0.527445810662 0.386504078313 0.531370224055} H26 56 1
1 {} {0.511875417235 0.316120908221 0.466230409059} H27 57 1
1 {} {0.506510071435 0.169958272848 0.264043771886} H28 58 1
1 {} {0.506609894579 0.247241362253 0.205329635924} H29 59 1
1 {} {0.495423751943 0.245986192701 0.321425312712} H30 60 1
1 {} {0.594692935784 0.146696013427 0.384355808657} H31 61 1
1 {} {0.593254364118 0.192666456308 0.153716090661} H32 62 1
1 {} {0.676301864 0.447402190392 0.541525362438} H33 63 1
1 {} {0.686022706846 0.475790990882 0.384242941411} H34 64 1
1 {} {0.617756138126 0.64709083819 0.605052743609} H35 65 1
1 {} {0.628906641818 0.531908947972 0.66026115355} H36 66 1
1 {} {0.565196839537 0.610044077145 0.416631097876} H37 67 1
1 {} {0.631856673876 0.679722155613 0.427121603546} H38 68 1
1 {} {0.609620389843 0.553138902873 0.269337629351} H39 69 1
1 {} {0.657613073324 0.595216304488 0.275057803579} H40 70 1
1 {} {0.719418538169 0.567535489242 0.65246131879} H41 71 1
1 {} {0.715002859775 0.643766121283 0.60739794527} H42 72 1
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