iterations/neb0_image04_iter238.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 {} {0.465015293839 0.25997765126 0.490220599004} O1 1 1
14 {} {0.324975430988 0.229217158083 0.569144041253} Si1 2 1
14 {} {0.59557519906 0.348284228221 0.446651378896} Si2 3 1
8 {} {0.552730060398 0.504586270998 0.424327112367} O2 4 1
8 {} {0.287655896702 0.347691750856 0.676589257973} O3 5 1
14 {} {0.245412535043 0.503901996739 0.702274889516} Si3 6 1
14 {} {0.575929047752 0.665317986213 0.399931316698} Si4 7 1
1 {} {0.342911860466 0.104194862386 0.646653393743} H1 8 1
1 {} {0.217554237635 0.215004391901 0.467501073577} H2 9 1
1 {} {0.647742475674 0.290623394041 0.319480678619} H3 10 1
1 {} {0.699395141608 0.34247147732 0.553975904106} H4 11 1
1 {} {0.105691435279 0.512799335768 0.755230286476} H5 12 1
1 {} {0.344278501032 0.559039959691 0.799275902867} H6 13 1
1 {} {0.448516829457 0.736500668286 0.431519372413} H7 14 1
1 {} {0.614490747775 0.690886657878 0.258096444405} H8 15 1
1 {} {0.686743065663 0.715589389022 0.487100448947} H10 16 1
8 {} {0.252033824815 0.581593586456 0.556739198673} O 17 1
1 {} {0.20343439458 0.664837072239 0.546346904086} 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