./iterations/neb0_image01_iter176.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.464910398214 0.254215197534 0.476905819926} O1 1 1
14 {} {0.327113084031 0.250998386326 0.566342918849} Si1 2 1
14 {} {0.597935713445 0.335987122598 0.427031331866} Si2 3 1
8 {} {0.556658340297 0.476620692077 0.352910423572} O2 4 1
8 {} {0.325320907486 0.377122501364 0.672065822024} O3 5 1
14 {} {0.256193439812 0.513404291887 0.732699368062} Si3 6 1
14 {} {0.537833783462 0.639787580718 0.362761666284} Si4 7 1
1 {} {0.326534636307 0.124257702618 0.644228454923} H1 8 1
1 {} {0.210386791809 0.25971237508 0.473978948218} H2 9 1
1 {} {0.667040779325 0.250489005724 0.327145075243} H3 10 1
1 {} {0.684257047978 0.366942261737 0.544864817248} H4 11 1
1 {} {0.109757199731 0.493866352275 0.750970874799} H5 12 1
1 {} {0.32714947975 0.540576833106 0.861088004453} H6 13 1
1 {} {0.399642551912 0.676700327373 0.319739381357} H7 14 1
1 {} {0.638425199742 0.707304442692 0.276195253441} H8 15 1
1 {} {0.5574400453 0.685475740404 0.504464420181} H10 16 1
8 {} {0.267908040302 0.641120570334 0.628775964208} O 17 1
1 {} {0.355578498819 0.677936465324 0.608889360597} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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