./iterations/neb0_image04_iter196.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.46522437068 0.253356541937 0.488326173252} O1 1 1
14 {} {0.325429547264 0.229321055426 0.571094194198} Si1 2 1
14 {} {0.592441533554 0.347143465324 0.443801779711} Si2 3 1
8 {} {0.544867257546 0.501100489 0.416791963572} O2 4 1
8 {} {0.29313545831 0.350273455948 0.676619003063} O3 5 1
14 {} {0.253123475462 0.506209997275 0.704348933425} Si3 6 1
14 {} {0.564572589262 0.663347990947 0.399084502456} Si4 7 1
1 {} {0.340452453942 0.104371458631 0.649873096552} H1 8 1
1 {} {0.216010778918 0.218631300956 0.471123392265} H2 9 1
1 {} {0.64779508198 0.290417301074 0.317122501811} H3 10 1
1 {} {0.694318018677 0.345275839519 0.553796499328} H4 11 1
1 {} {0.109642751568 0.517002947592 0.743994981464} H5 12 1
1 {} {0.341707147454 0.556301974829 0.812586700138} H6 13 1
1 {} {0.434588954102 0.732937518685 0.421008863505} H7 14 1
1 {} {0.610047398451 0.691031191394 0.260197343307} H8 15 1
1 {} {0.666055838254 0.712154802472 0.497672409692} H10 16 1
8 {} {0.28178624428 0.5879264063 0.563674671532} O 17 1
1 {} {0.228887129271 0.665714129084 0.539941104683} 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