./iterations/neb0_image01_iter158.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 {} {0.464919912026 0.252211678 0.476775032927} O1 1 1
14 {} {0.327406114723 0.251068829092 0.565795986404} Si1 2 1
14 {} {0.597566261159 0.335644126532 0.427344574844} Si2 3 1
8 {} {0.556042622331 0.476248618755 0.354486744038} O2 4 1
8 {} {0.325450539111 0.377483922148 0.66982313679} O3 5 1
14 {} {0.256936688767 0.514259885131 0.7314849932} Si3 6 1
14 {} {0.53740410208 0.639526138846 0.364130246686} Si4 7 1
1 {} {0.325498676495 0.124789045413 0.643776798445} H1 8 1
1 {} {0.211374549488 0.259895259276 0.473419955482} H2 9 1
1 {} {0.66744329771 0.252066084405 0.32704224064} H3 10 1
1 {} {0.68387748479 0.366112972504 0.544685415915} H4 11 1
1 {} {0.111330399558 0.493166822431 0.750486233419} H5 12 1
1 {} {0.328800643143 0.540143943387 0.859209413107} H6 13 1
1 {} {0.398594340825 0.67404051462 0.324015568885} H7 14 1
1 {} {0.636473902248 0.707192612878 0.275858734292} H8 15 1
1 {} {0.558792183048 0.686530272001 0.505144941774} H10 16 1
8 {} {0.267253580095 0.642764482771 0.628750665023} O 17 1
1 {} {0.354920671876 0.679372660148 0.608827241805} 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