iterations/neb0_image03_iter223.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.457028029258 0.266130804811 0.490721167203} O1 1 1
14 {} {0.324077719793 0.237949036225 0.581865946001} Si1 2 1
14 {} {0.583008397322 0.350944359981 0.429997337324} Si2 3 1
8 {} {0.533015087581 0.494427071056 0.369311375893} O2 4 1
8 {} {0.305203365108 0.35128065541 0.699549094361} O3 5 1
14 {} {0.257563389282 0.504102657041 0.736905809308} Si3 6 1
14 {} {0.563056181122 0.656395213231 0.362244776776} Si4 7 1
1 {} {0.340309804884 0.106304960568 0.649118011996} H1 8 1
1 {} {0.206432466211 0.23989387443 0.490272452205} H2 9 1
1 {} {0.641622258005 0.26986150733 0.320636770875} H3 10 1
1 {} {0.682935753131 0.375908458187 0.537513106085} H4 11 1
1 {} {0.108795374368 0.510650105791 0.736060859175} H5 12 1
1 {} {0.317225644075 0.536528366579 0.868380064921} H6 13 1
1 {} {0.435741412755 0.724088646446 0.326817022023} H7 14 1
1 {} {0.664013868734 0.683553145626 0.255765482993} H8 15 1
1 {} {0.614035334659 0.708269526766 0.491972555521} H10 16 1
8 {} {0.316623394457 0.61588852386 0.629294024423} O 17 1
1 {} {0.25939871631 0.640341149609 0.554631840763} 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