iterations/neb0_image04_iter268.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (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
	WyckoffPosition	int	-1
@end
@data
8 {} {0.467461302111 0.262263299736 0.49157751353} O1 1 1
14 {} {0.32644705038 0.230062741013 0.567287361398} Si1 2 1
14 {} {0.599417844248 0.34812577467 0.448273536748} Si2 3 1
8 {} {0.560833125486 0.505289344597 0.429489242884} O2 4 1
8 {} {0.281643953654 0.34909188959 0.670867819286} O3 5 1
14 {} {0.237854998019 0.504261625899 0.699217646517} Si3 6 1
14 {} {0.584679197247 0.665513973479 0.401816417103} Si4 7 1
1 {} {0.343882920589 0.10674301881 0.648595742803} H1 8 1
1 {} {0.220237522626 0.214173024188 0.464585493828} H2 9 1
1 {} {0.648782728701 0.29317013099 0.31954111126} H3 10 1
1 {} {0.701347042588 0.336248485313 0.555677037421} H4 11 1
1 {} {0.106386631502 0.504723534774 0.770717349405} H5 12 1
1 {} {0.342771266553 0.566213506162 0.784874853584} H6 13 1
1 {} {0.462055255864 0.740869577613 0.441561496593} H7 14 1
1 {} {0.612100239499 0.687186892725 0.257150402939} H8 15 1
1 {} {0.701241158231 0.714897464325 0.481006002814} H10 16 1
8 {} {0.227526194788 0.578215572764 0.551919258199} O 17 1
1 {} {0.185417509074 0.665467926681 0.546900005823} 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