iterations/neb0_image04_iter9.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 {} {0.469056540796 0.231402942946 0.48173709424} O1 1 1
14 {} {0.331069721553 0.232403818928 0.5671673121} Si1 2 1
14 {} {0.602873154519 0.314341981314 0.437961559664} Si2 3 1
8 {} {0.559467857609 0.464958801687 0.379814822707} O2 4 1
8 {} {0.331611985695 0.370392133913 0.666718743513} O3 5 1
14 {} {0.275746587759 0.520071599274 0.705779086164} Si3 6 1
14 {} {0.512846860862 0.628034510069 0.401369437794} Si4 7 1
1 {} {0.328076689347 0.117152881105 0.658630522988} H1 8 1
1 {} {0.215206411188 0.239573481129 0.476451351047} H2 9 1
1 {} {0.668401170437 0.239072884573 0.327766627658} H3 10 1
1 {} {0.69337264255 0.331520841395 0.555211996549} H4 11 1
1 {} {0.126055682925 0.50502485925 0.713727790395} H5 12 1
1 {} {0.344370146674 0.548386017592 0.83647727092} H6 13 1
1 {} {0.36393317566 0.766951336778 0.369891095625} H7 14 1
1 {} {0.56793686582 0.694898146437 0.281239067873} H8 15 1
1 {} {0.581504863409 0.679674371691 0.523126866966} H10 16 1
8 {} {0.317664084389 0.645897937677 0.584123201729} O 17 1
1 {} {0.320891695594 0.742759418465 0.563864155763} 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