./iterations/neb0_image02_iter278.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.454863459011 0.268076513776 0.486682298351} O1 1 1
14 {} {0.325372671 0.241176611382 0.582979868922} Si1 2 1
14 {} {0.584182649024 0.350182361001 0.42750304726} Si2 3 1
8 {} {0.536134764592 0.494138013858 0.365576734021} O2 4 1
8 {} {0.311655413031 0.357449395689 0.697567529469} O3 5 1
14 {} {0.240276857992 0.503157014686 0.733699381549} Si3 6 1
14 {} {0.565489021577 0.655904591059 0.356541990427} Si4 7 1
1 {} {0.34746456932 0.110532199915 0.651831519956} H1 8 1
1 {} {0.203524940463 0.237874322987 0.496139474482} H2 9 1
1 {} {0.642690686292 0.268135178281 0.31820970565} H3 10 1
1 {} {0.681842231029 0.374045668001 0.5380316309} H4 11 1
1 {} {0.0941127344866 0.483637543886 0.754040659254} H5 12 1
1 {} {0.310923976221 0.553370014633 0.854964832497} H6 13 1
1 {} {0.438705415661 0.720609701629 0.31449307878} H7 14 1
1 {} {0.673809487307 0.684980694786 0.258318098375} H8 15 1
1 {} {0.604348687843 0.708073621132 0.491390402456} H10 16 1
8 {} {0.253108304895 0.611422181592 0.609388460571} O 17 1
1 {} {0.341580564149 0.649752597471 0.593698998023} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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