./iterations/neb0_image05_iter234.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.473343817677 0.254710332257 0.491956276485} O1 1 1
14 {} {0.325875898776 0.228880082238 0.559608272518} Si1 2 1
14 {} {0.606490214835 0.346986654266 0.470125924466} Si2 3 1
8 {} {0.574529760257 0.503216307327 0.510589675295} O2 4 1
8 {} {0.270616073878 0.365858177277 0.629902738064} O3 5 1
14 {} {0.23612694561 0.523340400574 0.659902354478} Si3 6 1
14 {} {0.571290205606 0.658021308343 0.450912415382} Si4 7 1
1 {} {0.337944108874 0.123043946636 0.663502509317} H1 8 1
1 {} {0.231559300174 0.183046217664 0.45338905223} H2 9 1
1 {} {0.647994349 0.335753309652 0.326877656251} H3 10 1
1 {} {0.713503926655 0.29261281955 0.559179369595} H4 11 1
1 {} {0.137476976776 0.527507943578 0.769243620914} H5 12 1
1 {} {0.363125525527 0.591931284747 0.692835139301} H6 13 1
1 {} {0.503104302546 0.746248916307 0.549083487864} H7 14 1
1 {} {0.491205924757 0.653952469503 0.323715460886} H8 15 1
1 {} {0.710876501004 0.707800306685 0.426762173116} H10 16 1
8 {} {0.17379392918 0.604992680517 0.530521633482} O 17 1
1 {} {0.241228259362 0.624614900614 0.462950432914} 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