iterations/neb0_image02_iter276.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 {} {0.45502329165 0.267716230898 0.486629841912} O1 1 1
14 {} {0.3255164475 0.241340274053 0.582844402119} Si1 2 1
14 {} {0.584335806851 0.350014235845 0.427589342722} Si2 3 1
8 {} {0.536297133912 0.493913001356 0.365594383964} O2 4 1
8 {} {0.311774196331 0.357751435 0.697131138903} O3 5 1
14 {} {0.240384545516 0.503042570959 0.733825267259} Si3 6 1
14 {} {0.565206050095 0.655665510757 0.356689002728} Si4 7 1
1 {} {0.347234160864 0.110720711493 0.651662303083} H1 8 1
1 {} {0.203621071373 0.238083743586 0.496088995769} H2 9 1
1 {} {0.642731651345 0.268125413864 0.318268332404} H3 10 1
1 {} {0.681817958257 0.374099167152 0.538115416611} H4 11 1
1 {} {0.0942596662697 0.48368616597 0.754024940045} H5 12 1
1 {} {0.31118585309 0.55304702509 0.855009263446} H6 13 1
1 {} {0.438387840678 0.720250375547 0.314618672402} H7 14 1
1 {} {0.673443418557 0.684971323999 0.258367681661} H8 15 1
1 {} {0.603976817774 0.708060670408 0.491603380079} H10 16 1
8 {} {0.253702977994 0.612452213462 0.609171176689} O 17 1
1 {} {0.341187543585 0.649578152865 0.593824171994} 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