./iterations/neb0_image03_iter125.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 {} {0.465804880143 0.241398280859 0.486446538852} O1 1 1
14 {} {0.328561665435 0.23548748076 0.57567575835} Si1 2 1
14 {} {0.586959774599 0.338889332208 0.433690953701} Si2 3 1
8 {} {0.526858946912 0.482889513531 0.384217276539} O2 4 1
8 {} {0.320970985578 0.360461932052 0.681398297722} O3 5 1
14 {} {0.269521917812 0.512743444616 0.715304938422} Si3 6 1
14 {} {0.53934150486 0.647170305733 0.379098368593} Si4 7 1
1 {} {0.330957546013 0.109724321527 0.654782370956} H1 8 1
1 {} {0.210492594711 0.239671625172 0.484998446921} H2 9 1
1 {} {0.649975902111 0.270028538716 0.318051874271} H3 10 1
1 {} {0.68304764628 0.361957366208 0.545500309557} H4 11 1
1 {} {0.120592000533 0.515347442745 0.72318616402} H5 12 1
1 {} {0.331410935211 0.553085721705 0.844650123773} H6 13 1
1 {} {0.406522169948 0.710744124922 0.351512219092} H7 14 1
1 {} {0.631645144017 0.68194077846 0.266848912067} H8 15 1
1 {} {0.595854798541 0.701427275444 0.506831441444} H10 16 1
8 {} {0.321672673971 0.608903600231 0.591243270492} O 17 1
1 {} {0.289895053243 0.700646913131 0.58762066693} 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