iterations/neb0_image04_iter144.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 {} {0.464419323974 0.244906225048 0.486212009162} O1 1 1
14 {} {0.327025173056 0.228085658863 0.57303403553} Si1 2 1
14 {} {0.586403320655 0.344918697583 0.441363195969} Si2 3 1
8 {} {0.53089360776 0.495486711247 0.411779542245} O2 4 1
8 {} {0.308602439863 0.352514585291 0.679837050383} O3 5 1
14 {} {0.265902598178 0.50932644255 0.70404323538} Si3 6 1
14 {} {0.54447275575 0.659468731173 0.402050569321} Si4 7 1
1 {} {0.333701213556 0.103932623969 0.654121819904} H1 8 1
1 {} {0.212675885929 0.224344342389 0.477652583031} H2 9 1
1 {} {0.646556417663 0.283542015682 0.319725089541} H3 10 1
1 {} {0.689878426505 0.351448242825 0.549473706189} H4 11 1
1 {} {0.117898579769 0.524090418155 0.718996562318} H5 12 1
1 {} {0.341941530639 0.555418953174 0.823354191474} H6 13 1
1 {} {0.416583739461 0.733308785312 0.405895162213} H7 14 1
1 {} {0.600819423136 0.688766994677 0.26772160629} H8 15 1
1 {} {0.637528376425 0.707951516632 0.508136281045} H10 16 1
8 {} {0.317240644773 0.596074843309 0.573222129465} O 17 1
1 {} {0.267542601434 0.668932097045 0.5344392584} 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