iterations/neb0_image07_iter200.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (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
@end
@data
8 {} {0.474014002024 0.232068380006 0.495577128363} O1 1 1
14 {} {0.333255374043 0.218134176505 0.581198677317} Si1 2 1
14 {} {0.615601402098 0.301607641146 0.451713787316} Si2 3 1
8 {} {0.598474381107 0.462562575697 0.42243630795} O2 4 1
8 {} {0.306631828958 0.348751402069 0.678263862251} O3 5 1
14 {} {0.290460091659 0.510235995396 0.653147369601} Si3 6 1
14 {} {0.495761610066 0.59008836151 0.434793299584} Si4 7 1
1 {} {0.344915132384 0.0983168300429 0.668098845622} H1 8 1
1 {} {0.22147428607 0.207917997921 0.482485429287} H2 9 1
1 {} {0.661607156524 0.234910534782 0.326414097762} H3 10 1
1 {} {0.713907925211 0.287570336653 0.562842590226} H4 11 1
1 {} {0.147739043727 0.550287044083 0.651114420323} H5 12 1
1 {} {0.368018657404 0.580407733222 0.758833640048} H6 13 1
1 {} {0.34402832493 0.915506693469 0.502031958783} H7 14 1
1 {} {0.469583803384 0.637633725386 0.296185558745} H8 15 1
1 {} {0.557884582099 0.692706787359 0.523296375244} H10 16 1
8 {} {0.352133640552 0.546295009677 0.503046997852} O 17 1
1 {} {0.31459469128 0.857516593903 0.539577454324} H14 18 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end