iterations/neb0_image03_iter143.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 {} {0.462639221716 0.251368618583 0.490484983745} O1 1 1
14 {} {0.326459046868 0.234625347828 0.580942215933} Si1 2 1
14 {} {0.582751151769 0.346260792736 0.431846672702} Si2 3 1
8 {} {0.524929081653 0.489501954088 0.37991360917} O2 4 1
8 {} {0.313765067259 0.352023040488 0.695144313885} O3 5 1
14 {} {0.265941388429 0.507523282576 0.722322129215} Si3 6 1
14 {} {0.550527094258 0.652279801499 0.371870347945} Si4 7 1
1 {} {0.334730377686 0.103242061473 0.651143844233} H1 8 1
1 {} {0.207906937064 0.239712419292 0.489503092811} H2 9 1
1 {} {0.644477544212 0.272608327153 0.317987261982} H3 10 1
1 {} {0.682346190532 0.371650113607 0.540086165553} H4 11 1
1 {} {0.116982023918 0.517851396582 0.724575807761} H5 12 1
1 {} {0.324885270405 0.545347054132 0.852632579454} H6 13 1
1 {} {0.420639509492 0.714703162518 0.337447134855} H7 14 1
1 {} {0.6497326825 0.678855826103 0.264850149871} H8 15 1
1 {} {0.604374810099 0.708493877638 0.498566108501} H10 16 1
8 {} {0.325331020449 0.604513789015 0.602274910608} O 17 1
1 {} {0.271667760812 0.681957166396 0.579466519661} 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