./iterations/neb0_image03_iter139.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 {} {0.463592246786 0.248386726029 0.489524592413} O1 1 1
14 {} {0.327132313855 0.234709872912 0.57930595568} Si1 2 1
14 {} {0.584384671559 0.344385839951 0.432019827038} Si2 3 1
8 {} {0.525157940619 0.488534420969 0.381599215622} O2 4 1
8 {} {0.315350968955 0.35416641812 0.69170009282} O3 5 1
14 {} {0.266983746222 0.508309313746 0.72044357423} Si3 6 1
14 {} {0.547125712312 0.651267430313 0.374400733509} Si4 7 1
1 {} {0.333514847299 0.104937117598 0.652147881298} H1 8 1
1 {} {0.20852168228 0.239720485842 0.488721362717} H2 9 1
1 {} {0.6459883779 0.271424126375 0.317662739437} H3 10 1
1 {} {0.682163924013 0.369402062027 0.541538904564} H4 11 1
1 {} {0.118081216748 0.517152645042 0.724186908822} H5 12 1
1 {} {0.326657245026 0.547701151823 0.850512826263} H6 13 1
1 {} {0.417291914684 0.71338756914 0.34138729079} H7 14 1
1 {} {0.644776758214 0.679047808924 0.265558560634} H8 15 1
1 {} {0.601669094564 0.706609106725 0.500284288949} H10 16 1
8 {} {0.325473938127 0.605609674078 0.597694374376} O 17 1
1 {} {0.276219568297 0.687766249928 0.582368739567} 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