iterations/neb0_image02_iter292.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 {} {0.453186521896 0.268341354985 0.483373063038} O1 1 1
14 {} {0.32528598517 0.242331145434 0.581257408211} Si1 2 1
14 {} {0.58494898116 0.34847319246 0.42777392515} Si2 3 1
8 {} {0.540614380802 0.49306369457 0.365600360356} O2 4 1
8 {} {0.311177567823 0.358749855895 0.694035389774} O3 5 1
14 {} {0.240096805695 0.502786121516 0.73410175721} Si3 6 1
14 {} {0.565411514488 0.65599416358 0.357069940055} Si4 7 1
1 {} {0.34755555201 0.112843217155 0.650624048247} H1 8 1
1 {} {0.203400156728 0.238308653282 0.49563875504} H2 9 1
1 {} {0.644184657884 0.267624824789 0.318919961999} H3 10 1
1 {} {0.681243462919 0.371746372165 0.538971455049} H4 11 1
1 {} {0.0950463292943 0.483269540301 0.756190496649} H5 12 1
1 {} {0.310561081018 0.551282193283 0.85518995621} H6 13 1
1 {} {0.437201629537 0.720494274572 0.316734487229} H7 14 1
1 {} {0.672208504831 0.688152753321 0.257550003364} H8 15 1
1 {} {0.604942802306 0.707758206613 0.49237115782} H10 16 1
8 {} {0.252247205395 0.612495063649 0.611236243177} O 17 1
1 {} {0.34077336322 0.648803657302 0.594419195633} 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