iterations/neb0_image06_iter288.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.466608411946 0.264848193782 0.488399886498} O1 1 1
14 {} {0.321305385717 0.229049721395 0.55569117746} Si1 2 1
14 {} {0.607135256344 0.34728504585 0.475828044131} Si2 3 1
8 {} {0.588701940797 0.494860585822 0.546176513477} O2 4 1
8 {} {0.237807614929 0.352371676433 0.629624022026} O3 5 1
14 {} {0.269555173062 0.512261296245 0.662857853541} Si3 6 1
14 {} {0.49599872682 0.610903296708 0.471943495948} Si4 7 1
1 {} {0.343774242054 0.132361546501 0.66532818795} H1 8 1
1 {} {0.240918560587 0.171457974322 0.444853216487} H2 9 1
1 {} {0.634356962415 0.37325988124 0.331969867864} H3 10 1
1 {} {0.716050335242 0.274502117654 0.545236744878} H4 11 1
1 {} {0.145148106848 0.574833818359 0.716222982916} H5 12 1
1 {} {0.376541902786 0.53704244801 0.761110108108} H6 13 1
1 {} {0.411037704185 0.77205818611 0.470739416793} H7 14 1
1 {} {0.475308773665 0.595963042336 0.326391887047} H8 15 1
1 {} {0.599264838773 0.722300390885 0.468848456385} H10 16 1
8 {} {0.33379758628 0.574122338497 0.525479350616} O 17 1
1 {} {0.346774619662 0.733036705935 0.444357219779} 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