iterations/neb0_image08_iter49.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471422309322 0.215113578495 0.487325150717} O1 1 1
14 {} {0.33396529508 0.221086953184 0.577837263992} Si1 2 1
14 {} {0.601187248336 0.306175026 0.443684672699} Si2 3 1
8 {} {0.555182250992 0.458075565653 0.400908997483} O2 4 1
8 {} {0.332586377911 0.354985723381 0.673473937386} O3 5 1
14 {} {0.296941172643 0.516139491343 0.67476504498} Si3 6 1
14 {} {0.503813600036 0.604721208277 0.453662901168} Si4 7 1
1 {} {0.333582629656 0.104321846076 0.669246214585} H1 8 1
1 {} {0.216092868278 0.223392896202 0.486077779963} H2 9 1
1 {} {0.662146454626 0.241346753902 0.324919905344} H3 10 1
1 {} {0.697795321556 0.319737229846 0.556676875037} H4 11 1
1 {} {0.149613033023 0.536861762624 0.667896634535} H5 12 1
1 {} {0.35259062033 0.57367031325 0.800233314709} H6 13 1
1 {} {0.332978277123 0.834474340982 0.415327525078} H7 14 1
1 {} {0.479157025453 0.681600813105 0.329040011978} H8 15 1
1 {} {0.605304146333 0.671755184931 0.539713310495} H10 16 1
8 {} {0.365395628335 0.588993722464 0.542578919236} O 17 1
1 {} {0.320331866503 0.820065555568 0.487689540848} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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