iterations/neb0_image05_iter136.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 {} {0.4716472105 0.229132220928 0.485394737611} O1 1 1
14 {} {0.330614368247 0.22403186113 0.569743711039} Si1 2 1
14 {} {0.593921257883 0.334853266696 0.451426485976} Si2 3 1
8 {} {0.536965783006 0.487020220587 0.446874477564} O2 4 1
8 {} {0.316301885906 0.359606078488 0.661249473864} O3 5 1
14 {} {0.276948847284 0.516598763557 0.676369248618} Si3 6 1
14 {} {0.519098949738 0.651480930775 0.430233870929} Si4 7 1
1 {} {0.330703606653 0.107592355166 0.661394943588} H1 8 1
1 {} {0.218129110511 0.218308076785 0.474603195386} H2 9 1
1 {} {0.651205923327 0.286397416558 0.321796585177} H3 10 1
1 {} {0.697402328699 0.326775224595 0.557458751159} H4 11 1
1 {} {0.131532784643 0.532382319828 0.705238800598} H5 12 1
1 {} {0.366377754184 0.583230810891 0.776818161848} H6 13 1
1 {} {0.426344065815 0.772501519106 0.463900833263} H7 14 1
1 {} {0.52102965859 0.666925908257 0.283325762344} H8 15 1
1 {} {0.633100040897 0.699126702407 0.514334941935} H10 16 1
8 {} {0.30162979351 0.589848286338 0.528412551773} O 17 1
1 {} {0.287132677139 0.68670595415 0.522481499677} 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