./iterations/neb0_image02_iter295.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 {} {0.453571995712 0.26824840694 0.482277722629} O1 1 1
14 {} {0.32520863518 0.241843308522 0.580460440693} Si1 2 1
14 {} {0.584894116732 0.347958383752 0.427708553801} Si2 3 1
8 {} {0.54115451916 0.493346492294 0.365508135804} O2 4 1
8 {} {0.310528084151 0.359605452739 0.693907340278} O3 5 1
14 {} {0.240763577792 0.502341612801 0.733661341715} Si3 6 1
14 {} {0.565410915438 0.655751994326 0.35727855498} Si4 7 1
1 {} {0.34720064612 0.113553038125 0.650503150299} H1 8 1
1 {} {0.203591056764 0.238479353617 0.495590296278} H2 9 1
1 {} {0.645073347293 0.267033708257 0.319083390242} H3 10 1
1 {} {0.681030663817 0.370772084782 0.539274105286} H4 11 1
1 {} {0.0956292961493 0.483247563033 0.75618961822} H5 12 1
1 {} {0.31077114943 0.551049612799 0.85559594025} H6 13 1
1 {} {0.436386730495 0.720055783242 0.317548749042} H7 14 1
1 {} {0.671348297406 0.689023024781 0.257743049668} H8 15 1
1 {} {0.604797725427 0.707594975553 0.49263839626} H10 16 1
8 {} {0.25234615233 0.612977416782 0.61134092309} O 17 1
1 {} {0.340379603508 0.649636086721 0.594747875603} 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