#MD System 2.0

@Title neb0_image01

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Occupancy	double	1.0
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
78 {} {0.664115989034 0.665252903402 -8.40139621194e-05} Pt1 1.0 1 1
78 {} {0.414357874858 0.914995435654 -0.000173558198545} Pt2 1.0 2 1
78 {} {0.414330504774 0.665289452659 -3.01111930827e-05} Pt3 1.0 3 1
78 {} {0.164264568097 0.915203307147 -0.000260507228282} Pt4 1.0 4 1
78 {} {0.914397779687 0.41501582453 6.43790587026e-05} Pt5 1.0 5 1
78 {} {0.914238501408 0.165201441608 -0.000139555135691} Pt6 1.0 6 1
78 {} {0.664378582264 0.415064685181 -0.000203046826236} Pt7 1.0 7 1
78 {} {0.164201561647 0.16531976099 5.18568421748e-05} Pt8 1.0 8 1
78 {} {0.91417898522 0.915303523296 -0.000158524565907} Pt9 1.0 9 1
78 {} {0.914135015164 0.66520256672 -1.4016890546e-05} Pt10 1.0 10 1
78 {} {0.664285642204 0.915135717211 -0.000188653199612} Pt11 1.0 11 1
78 {} {0.164299535118 0.665248282024 6.87333436025e-06} Pt12 1.0 12 1
78 {} {0.664478208719 0.165041495154 -0.00014129172622} Pt13 1.0 13 1
78 {} {0.41435259815 0.415102956921 -2.07627759933e-05} Pt14 1.0 14 1
78 {} {0.414301613941 0.165024978648 2.70234960968e-05} Pt15 1.0 15 1
78 {} {0.164221050474 0.415089793702 -3.36792074344e-05} Pt16 1.0 16 1
78 {} {0.747792502472 0.748077670747 0.0789013162687} Pt17 1.0 17 1
78 {} {0.747878944108 0.498291166414 0.0788699905777} Pt18 1.0 18 1
78 {} {0.497819450783 0.748244716671 0.0790932091098} Pt19 1.0 19 1
78 {} {-0.00174761676265 0.497955840794 0.0792990382259} Pt20 1.0 20 1
78 {} {0.497623358153 -0.00172134591425 0.078891364113} Pt21 1.0 21 1
78 {} {0.247569229492 0.248813520405 0.0794133747844} Pt22 1.0 22 1
78 {} {0.247879073087 -0.00151844907607 0.0787812222078} Pt23 1.0 23 1
78 {} {-0.00148733877144 0.248879369841 0.0793215208963} Pt24 1.0 24 1
78 {} {0.497788806451 0.498279637375 0.078840867067} Pt25 1.0 25 1
78 {} {0.247886017689 0.748288134285 0.078900353936} Pt26 1.0 26 1
78 {} {0.247672639452 0.498106009186 0.0790235228212} Pt27 1.0 27 1
78 {} {-0.00212203648001 0.747873735462 0.0788062471223} Pt28 1.0 28 1
78 {} {0.74792728525 0.248357066015 0.0789406673172} Pt29 1.0 29 1
78 {} {0.747624195922 -0.00152041762542 0.0788882696657} Pt30 1.0 30 1
78 {} {0.497126885898 0.248509500494 0.0789263014612} Pt31 1.0 31 1
78 {} {-0.00220648935246 -0.00134429132109 0.0787749646728} Pt32 1.0 32 1
78 {} {0.330446633296 0.33149657196 0.157090735497} Pt33 1.0 33 1
78 {} {0.0815099974743 0.581265364135 0.156919689632} Pt34 1.0 34 1
78 {} {0.0825472471791 0.332088407561 0.158112895304} Pt35 1.0 35 1
78 {} {0.831131235036 0.581027359928 0.156692199572} Pt36 1.0 36 1
78 {} {0.58147072227 0.0814292603918 0.15662986101} Pt37 1.0 37 1
78 {} {0.581562029351 0.831251613665 0.15661696606} Pt38 1.0 38 1
78 {} {0.331480113846 0.0807669183391 0.156748232158} Pt39 1.0 39 1
78 {} {0.831349190434 0.831708934156 0.156365819521} Pt40 1.0 40 1
78 {} {0.581562866751 0.580730506743 0.156790684103} Pt41 1.0 41 1
78 {} {0.582083114388 0.330482320745 0.156256229883} Pt42 1.0 42 1
78 {} {0.331693459395 0.58174548139 0.156356247693} Pt43 1.0 43 1
78 {} {0.831999971036 0.330867679054 0.156567344441} Pt44 1.0 44 1
78 {} {0.331095251174 0.831347505648 0.156625869763} Pt45 1.0 45 1
78 {} {0.0812831588162 0.0816060966691 0.156577965522} Pt46 1.0 46 1
78 {} {0.0806285950138 0.832233767827 0.156156319944} Pt47 1.0 47 1
78 {} {0.831474250161 0.0813916930195 0.156734249661} Pt48 1.0 48 1
78 {} {0.41663316334 0.413337335991 0.233598435889} Pt49 1.0 49 1
78 {} {0.416106839375 0.162112468143 0.235630383009} Pt50 1.0 50 1
78 {} {0.163298149234 0.415891821514 0.237845254477} Pt51 1.0 51 1
78 {} {0.665922643577 0.163164383949 0.236084436405} Pt52 1.0 52 1
78 {} {0.164613429853 0.66728032067 0.234596599442} Pt53 1.0 53 1
78 {} {0.914836091383 0.914427559747 0.235794536911} Pt54 1.0 54 1
78 {} {0.912820224055 0.665893946474 0.235159703215} Pt55 1.0 55 1
78 {} {0.665089524502 0.913896857907 0.235708328559} Pt56 1.0 56 1
78 {} {0.16545417778 0.162462356286 0.235867886685} Pt57 1.0 57 1
78 {} {0.913602906998 0.414038812646 0.235847528168} Pt58 1.0 58 1
78 {} {0.915092237873 0.163788662848 0.235809247608} Pt59 1.0 59 1
78 {} {0.66590802934 0.413913095761 0.235882436673} Pt60 1.0 60 1
78 {} {0.415315399873 0.913345337599 0.235748407617} Pt61 1.0 61 1
78 {} {0.41585671192 0.664520514527 0.236281196345} Pt62 1.0 62 1
78 {} {0.165308078235 0.914017423282 0.235679899263} Pt63 1.0 63 1
78 {} {0.664632677875 0.663955289725 0.235829583651} Pt64 1.0 64 1
1 {} {0.503198467427 0.367875484991 0.323195537349} H1 1.0 65 1
1 {} {0.418029618912 0.528026033051 0.315867257535} H2 1.0 66 1
1 {} {0.253356926415 0.456088534345 0.321575225425} H3 1.0 67 1
1 {} {0.0939447850633 0.562105891284 0.320229958472} H4 1.0 68 1
8 {} {0.409406688642 0.447097839352 0.323069180358} O1 1.0 69 1
8 {} {0.161715256634 0.4621428125 0.31737427273} O2 1.0 70 1
8 {} {0.561134568368 0.44803961447 0.400530333867} O3 1.0 71 1
8 {} {0.3030958365 0.57527007922 0.41158920271} O4 1.0 72 1
16 {} {0.434911008182 0.446123449654 0.41137058502} S 1.0 73 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} {11.0868996364 11.0868996364 29.0524107273 90 90 60.0000007273} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{11.0868996364 0 0} {5.54344969631 9.60153680466 0} {0 0 29.0524107273}} {{0.0901965412149 0 0} {-0.0520749958239 0.104149993938 0} {0 0 0.0344205515125}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
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@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
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