iterations/neb0_image06_iter203.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 {} {0.474790381718 0.225849029833 0.48589049693} O1 1 1
14 {} {0.331052637444 0.217091505827 0.566311053538} Si1 2 1
14 {} {0.608055266009 0.317971184317 0.457638274074} Si2 3 1
8 {} {0.571378784552 0.476430126882 0.465819145734} O2 4 1
8 {} {0.302697884884 0.353333600987 0.6529850958} O3 5 1
14 {} {0.28582088955 0.516113183794 0.653788512384} Si3 6 1
14 {} {0.48608980998 0.613898362162 0.447194653035} Si4 7 1
1 {} {0.335474416645 0.103560484635 0.662914255898} H1 8 1
1 {} {0.223966102891 0.201151779825 0.464112548589} H2 9 1
1 {} {0.655495896459 0.28921792406 0.319303145759} H3 10 1
1 {} {0.71224605921 0.294679046195 0.562769979239} H4 11 1
1 {} {0.145247675659 0.546793884303 0.693443634405} H5 12 1
1 {} {0.380327118233 0.578550399682 0.749672555419} H6 13 1
1 {} {0.389398749993 0.810666848085 0.528007763502} H7 14 1
1 {} {0.469218462871 0.65700646827 0.305839109001} H8 15 1
1 {} {0.585163912718 0.710538014304 0.50593446361} H10 16 1
8 {} {0.33092051484 0.576617731363 0.506025486423} O 17 1
1 {} {0.322741372246 0.783048306066 0.503407913942} 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