iterations/neb0_image07_iter250.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 {} {0.476872332403 0.218953335903 0.499938021853} O1 1 1
14 {} {0.33562932906 0.212955316141 0.583829941935} Si1 2 1
14 {} {0.614390877842 0.295068727858 0.454845602244} Si2 3 1
8 {} {0.588286675209 0.455180951831 0.428559182878} O2 4 1
8 {} {0.313268289051 0.351545439857 0.668942675689} O3 5 1
14 {} {0.291080069936 0.513029822666 0.647579948988} Si3 6 1
14 {} {0.496267031117 0.590666040403 0.431257363678} Si4 7 1
1 {} {0.342193774573 0.101925512599 0.68198901946} H1 8 1
1 {} {0.225486439578 0.193780105734 0.485675346803} H2 9 1
1 {} {0.660575800482 0.233490336462 0.327684156588} H3 10 1
1 {} {0.71718272972 0.284192947935 0.562262633992} H4 11 1
1 {} {0.146773895907 0.545336813007 0.645974517895} H5 12 1
1 {} {0.364847438357 0.580826320494 0.75722784531} H6 13 1
1 {} {0.338700477235 0.928320780634 0.502025082023} H7 14 1
1 {} {0.469836485898 0.635547814002 0.291956062731} H8 15 1
1 {} {0.567329275052 0.695450682447 0.511647717278} H10 16 1
8 {} {0.350469791691 0.559534507365 0.500618149429} O 17 1
1 {} {0.310895122466 0.876712371842 0.549044449143} 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