./iterations/neb0_image07_iter256.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.477179694715 0.215640147945 0.501256376993} O1 1 1
14 {} {0.33624937025 0.211642632528 0.584662690958} Si1 2 1
14 {} {0.614023906992 0.29467153784 0.454773114552} Si2 3 1
8 {} {0.585018238023 0.453435730306 0.429133352243} O2 4 1
8 {} {0.313494568642 0.352627223142 0.6669435399} O3 5 1
14 {} {0.291184541711 0.513619843782 0.647179007311} Si3 6 1
14 {} {0.496239231465 0.591568734033 0.431027094893} Si4 7 1
1 {} {0.342357839245 0.103604380985 0.685358037609} H1 8 1
1 {} {0.226882792016 0.19161857974 0.485719023234} H2 9 1
1 {} {0.661433488375 0.234684995814 0.32725165526} H3 10 1
1 {} {0.716642830426 0.283082998035 0.562151160207} H4 11 1
1 {} {0.145484671825 0.543762901955 0.646308393615} H5 12 1
1 {} {0.363951395995 0.581825290743 0.758112400124} H6 13 1
1 {} {0.337949840876 0.928842809511 0.500612215084} H7 14 1
1 {} {0.471453134213 0.635297841957 0.290953339386} H8 15 1
1 {} {0.570040001829 0.694624395221 0.508542167816} H10 16 1
8 {} {0.350463838671 0.562692024845 0.50164851764} O 17 1
1 {} {0.310036435698 0.879275761121 0.549425614233} 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