./iterations/neb0_image04_iter127.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.466444993926 0.238952618462 0.489143369601} O1 1 1
14 {} {0.32766987808 0.228141737372 0.57540622015} Si1 2 1
14 {} {0.585902015519 0.340927321676 0.440911699275} Si2 3 1
8 {} {0.525138993467 0.48823239823 0.406613924328} O2 4 1
8 {} {0.316311535763 0.354716161627 0.680406728697} O3 5 1
14 {} {0.27651748872 0.512107528471 0.701030702281} Si3 6 1
14 {} {0.532710092824 0.654472686515 0.401879375169} Si4 7 1
1 {} {0.33116852617 0.102771271802 0.655124756882} H1 8 1
1 {} {0.209705046223 0.23015050381 0.483906110084} H2 9 1
1 {} {0.644868935415 0.279351728972 0.318801376556} H3 10 1
1 {} {0.686146970287 0.353878576904 0.551118352671} H4 11 1
1 {} {0.129143393701 0.5278878006 0.700469665534} H5 12 1
1 {} {0.340597055384 0.557657105071 0.826381290343} H6 13 1
1 {} {0.407511247803 0.7361223196 0.396923376298} H7 14 1
1 {} {0.594234242467 0.685347843662 0.269658667435} H8 15 1
1 {} {0.615872443984 0.702951060353 0.516104477357} H10 16 1
8 {} {0.336247281095 0.60239665493 0.576038065351} O 17 1
1 {} {0.283895925215 0.676452602844 0.541139845708} 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