iterations/neb0_image05_iter277.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.46991271148 0.273069898796 0.492295358397} O1 1 1
14 {} {0.325138564825 0.235895038289 0.556930963317} Si1 2 1
14 {} {0.615045317025 0.349294767115 0.475195649666} Si2 3 1
8 {} {0.608262836062 0.504985163591 0.527686884622} O2 4 1
8 {} {0.248389551423 0.364847318195 0.622717983157} O3 5 1
14 {} {0.233775500766 0.525720195843 0.650767289681} Si3 6 1
14 {} {0.580143269964 0.654370438717 0.464994404242} Si4 7 1
1 {} {0.342880748034 0.140499393065 0.668841192785} H1 8 1
1 {} {0.243647856147 0.177965457173 0.446965164368} H2 9 1
1 {} {0.645994881536 0.349252870195 0.328303897133} H3 10 1
1 {} {0.714500472898 0.277518596961 0.557937571111} H4 11 1
1 {} {0.128430562684 0.549226308071 0.752116123579} H5 12 1
1 {} {0.365317833146 0.572810155223 0.704419435493} H6 13 1
1 {} {0.542983612129 0.74950625783 0.57449445913} H7 14 1
1 {} {0.468830511887 0.64759756277 0.364981605245} H8 15 1
1 {} {0.700108228071 0.701993193957 0.393547990955} H10 16 1
8 {} {0.172871661697 0.606105767024 0.520284251746} O 17 1
1 {} {0.203851943612 0.591859767447 0.428577994121} 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