./iterations/neb0_image06_iter106.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 {} {0.470384956025 0.225371887501 0.49158909389} O1 1 1
14 {} {0.330250104558 0.222634600709 0.577232227044} Si1 2 1
14 {} {0.597176888457 0.320655862923 0.448218324381} Si2 3 1
8 {} {0.553914003992 0.472533716499 0.410694598778} O2 4 1
8 {} {0.323902049741 0.352758127199 0.677776139295} O3 5 1
14 {} {0.294536733323 0.514436994167 0.672392875854} Si3 6 1
14 {} {0.495404860334 0.621093839623 0.445451525432} Si4 7 1
1 {} {0.327466772727 0.0985827808143 0.658381269299} H1 8 1
1 {} {0.214772101534 0.228594922693 0.483996925681} H2 9 1
1 {} {0.652886567841 0.265764137249 0.32273962612} H3 10 1
1 {} {0.695605315592 0.323647013096 0.560581258302} H4 11 1
1 {} {0.14768993289 0.539543958703 0.668636052877} H5 12 1
1 {} {0.35950003809 0.575360891374 0.7917026504} H6 13 1
1 {} {0.371738103044 0.801432163354 0.452282520061} H7 14 1
1 {} {0.496945655033 0.679222865519 0.307071269015} H8 15 1
1 {} {0.591153448616 0.697500407026 0.530591768258} H10 16 1
8 {} {0.357464326727 0.581380806797 0.535018381912} O 17 1
1 {} {0.329294238917 0.752002985078 0.496701499051} 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