iterations/neb0_image09_iter219.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472259821739 0.215376063682 0.493770584149} O1 1 1
14 {} {0.333193724876 0.214984005789 0.58178712011} Si1 2 1
14 {} {0.606171394516 0.296695013854 0.445035862929} Si2 3 1
8 {} {0.569963688721 0.451805459269 0.403152033602} O2 4 1
8 {} {0.322576330428 0.349106995418 0.676436111752} O3 5 1
14 {} {0.300107848375 0.512348035238 0.672980803926} Si3 6 1
14 {} {0.511294053646 0.596950923368 0.452748148658} Si4 7 1
1 {} {0.334487799706 0.0966480945666 0.671275445158} H1 8 1
1 {} {0.218737474028 0.211670655437 0.48657427872} H2 9 1
1 {} {0.659185005287 0.228700371792 0.324244614202} H3 10 1
1 {} {0.705534447323 0.298787763939 0.556360740625} H4 11 1
1 {} {0.155138718541 0.542657163255 0.659316584882} H5 12 1
1 {} {0.357566450159 0.567840175991 0.798590642675} H6 13 1
1 {} {0.31686023477 0.9123068599 0.430675059997} H7 14 1
1 {} {0.474262560568 0.673778532529 0.331178043908} H8 15 1
1 {} {0.614916998682 0.666504449913 0.534434499884} H10 16 1
8 {} {0.375669750046 0.578895884074 0.543186147302} O 17 1
1 {} {0.282159808499 0.857461506541 0.469310914552} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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