./iterations/neb0_image03_iter99.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.466988851346 0.236078068571 0.484436521899} O1 1 1
14 {} {0.329376445901 0.236297750129 0.573781017927} Si1 2 1
14 {} {0.587698531792 0.335997672058 0.434469743605} Si2 3 1
8 {} {0.526496175323 0.479740868691 0.386030782147} O2 4 1
8 {} {0.325784358943 0.365470073028 0.674799977615} O3 5 1
14 {} {0.270513713603 0.515401168395 0.711730322739} Si3 6 1
14 {} {0.534671340664 0.644653903131 0.383065291947} Si4 7 1
1 {} {0.329277814731 0.113193195341 0.657383217719} H1 8 1
1 {} {0.212674930243 0.239013537064 0.480905926418} H2 9 1
1 {} {0.65377536418 0.271201965183 0.318850595207} H3 10 1
1 {} {0.682920208922 0.355164564499 0.547265300046} H4 11 1
1 {} {0.121413158593 0.514439099998 0.722874238039} H5 12 1
1 {} {0.335017312419 0.557384341636 0.839396184361} H6 13 1
1 {} {0.399919879057 0.704059825268 0.360032614345} H7 14 1
1 {} {0.621729401123 0.685615503557 0.2686753343} H8 15 1
1 {} {0.593125158004 0.69648910152 0.510256714176} H10 16 1
8 {} {0.318523071193 0.612984976041 0.587538816964} O 17 1
1 {} {0.300180403691 0.709332348183 0.58956539293} 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