iterations/neb0_image04_iter115.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 {} {0.466730441336 0.236145277078 0.490675276516} O1 1 1
14 {} {0.327706365054 0.228101425756 0.576854189184} Si1 2 1
14 {} {0.584070615575 0.34104550226 0.441606206495} Si2 3 1
8 {} {0.520783798029 0.488078514931 0.404316993982} O2 4 1
8 {} {0.319287891478 0.355408022797 0.68114137528} O3 5 1
14 {} {0.278495613573 0.51247200724 0.7005472381} Si3 6 1
14 {} {0.531967932521 0.652940422152 0.400671853054} Si4 7 1
1 {} {0.330622499336 0.10187831562 0.654889348528} H1 8 1
1 {} {0.210417385887 0.231494474119 0.485679662871} H2 9 1
1 {} {0.643851771878 0.282178378447 0.319066853922} H3 10 1
1 {} {0.684894447603 0.352962280077 0.551348868086} H4 11 1
1 {} {0.130570202059 0.530776800285 0.694450395804} H5 12 1
1 {} {0.341725838688 0.559146908807 0.826601347172} H6 13 1
1 {} {0.406965199228 0.735750716026 0.395911170898} H7 14 1
1 {} {0.594042759706 0.683304139512 0.269699333844} H8 15 1
1 {} {0.608793840506 0.702369692776 0.517373412333} H10 16 1
8 {} {0.340532603535 0.602565322106 0.577486270211} O 17 1
1 {} {0.288626875272 0.675899730358 0.542738199403} 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