iterations/neb0_image02_iter152.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.464935396876 0.247965253632 0.487604290924} O1 1 1
14 {} {0.328657355715 0.239875611087 0.579424240742} Si1 2 1
14 {} {0.587012862747 0.34103711994 0.430290715835} Si2 3 1
8 {} {0.529603292051 0.482834593371 0.371495060052} O2 4 1
8 {} {0.321226905627 0.364763945845 0.685958322125} O3 5 1
14 {} {0.253555770677 0.510133215977 0.723133234667} Si3 6 1
14 {} {0.547476746712 0.646431035654 0.365739768282} Si4 7 1
1 {} {0.334726973853 0.112592852015 0.656085757167} H1 8 1
1 {} {0.210999697532 0.243571298368 0.487762656336} H2 9 1
1 {} {0.651485120121 0.26649538543 0.319495894592} H3 10 1
1 {} {0.684280762846 0.370320012036 0.539383218102} H4 11 1
1 {} {0.10725043286 0.492207649868 0.741219834095} H5 12 1
1 {} {0.322676459084 0.55767495376 0.846260828118} H6 13 1
1 {} {0.415875559571 0.705138898675 0.328307304993} H7 14 1
1 {} {0.652112993764 0.684240234358 0.266241147156} H8 15 1
1 {} {0.587634630074 0.701240209807 0.499711604166} H10 16 1
8 {} {0.269503676231 0.620074285321 0.600413475142} O 17 1
1 {} {0.341071455761 0.685921387116 0.602530770025} 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
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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