#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 {} {0.664242874111 0.665191947414 0.000125649409035} Pt1 1.0 1 1
78 {} {0.414360460024 0.915045304698 9.81591066634e-05} Pt2 1.0 2 1
78 {} {0.414354227364 0.665164076734 0.000144442617912} Pt3 1.0 3 1
78 {} {0.164309747853 0.91517955924 3.40063829707e-05} Pt4 1.0 4 1
78 {} {0.914321761608 0.415040138244 0.000158060934226} Pt5 1.0 5 1
78 {} {0.914275911994 0.165094119052 4.65252123663e-05} Pt6 1.0 6 1
78 {} {0.664359255065 0.415075948893 5.08636023276e-05} Pt7 1.0 7 1
78 {} {0.16425536231 0.165132872644 0.000144506621106} Pt8 1.0 8 1
78 {} {0.914240432608 0.915259832682 9.51532797087e-05} Pt9 1.0 9 1
78 {} {0.91423244174 0.665224410836 0.000142383584696} Pt10 1.0 10 1
78 {} {0.664310350296 0.915129300054 6.70348358346e-05} Pt11 1.0 11 1
78 {} {0.164305140832 0.665192863861 0.0001616514425} Pt12 1.0 12 1
78 {} {0.664467914705 0.16502798832 6.54729252071e-05} Pt13 1.0 13 1
78 {} {0.414411620933 0.415090780842 0.00016316439902} Pt14 1.0 14 1
78 {} {0.414409366529 0.165050786443 0.000152001844894} Pt15 1.0 15 1
78 {} {0.164320051478 0.415106872414 9.54033432538e-05} Pt16 1.0 16 1
78 {} {0.747750746789 0.748202847391 0.0790698075328} Pt17 1.0 17 1
78 {} {0.747802416996 0.498404925473 0.079025340772} Pt18 1.0 18 1
78 {} {0.497725983052 0.748338706132 0.0791860487842} Pt19 1.0 19 1
78 {} {-0.00182467513038 0.498165146203 0.0793321416787} Pt20 1.0 20 1
78 {} {0.497581033481 -0.00165373194085 0.0790555733338} Pt21 1.0 21 1
78 {} {0.247454271043 0.248802194864 0.0792994328634} Pt22 1.0 22 1
78 {} {0.247800223776 -0.0015380915106 0.0789920927638} Pt23 1.0 23 1
78 {} {-0.00183064858703 0.248799071255 0.0792985702925} Pt24 1.0 24 1
78 {} {0.497599434511 0.498507744008 0.0790584440117} Pt25 1.0 25 1
78 {} {0.247755012883 0.748369759394 0.0790825024508} Pt26 1.0 26 1
78 {} {0.247482271328 0.498230296715 0.0792800445411} Pt27 1.0 27 1
78 {} {-0.00202138921453 0.747860363545 0.079105358282} Pt28 1.0 28 1
78 {} {0.747898238391 0.248272754335 0.0790423479566} Pt29 1.0 29 1
78 {} {0.747717441172 -0.0015364658042 0.0790588881009} Pt30 1.0 30 1
78 {} {0.497136934535 0.24862108277 0.07912866323} Pt31 1.0 31 1
78 {} {-0.00225833415024 -0.00157995197863 0.0790195163096} Pt32 1.0 32 1
78 {} {0.330597208102 0.331422627105 0.156872685697} Pt33 1.0 33 1
78 {} {0.0815614197517 0.581072508109 0.156827427153} Pt34 1.0 34 1
78 {} {0.0824066095645 0.331902431026 0.157508562529} Pt35 1.0 35 1
78 {} {0.831283290272 0.581079573357 0.156503048156} Pt36 1.0 36 1
78 {} {0.581610837794 0.0813812667745 0.15640093689} Pt37 1.0 37 1
78 {} {0.581544103659 0.831184295254 0.156464648044} Pt38 1.0 38 1
78 {} {0.331505513153 0.0808858505866 0.156476666379} Pt39 1.0 39 1
78 {} {0.831522677242 0.831364525617 0.156308906587} Pt40 1.0 40 1
78 {} {0.581512372149 0.580827109719 0.156574184796} Pt41 1.0 41 1
78 {} {0.581886595083 0.330743987098 0.156237059534} Pt42 1.0 42 1
78 {} {0.331466214956 0.581371704489 0.156528363258} Pt43 1.0 43 1
78 {} {0.83166823909 0.330954715853 0.156388518955} Pt44 1.0 44 1
78 {} {0.331233999625 0.831188080056 0.156489243454} Pt45 1.0 45 1
78 {} {0.0811308898599 0.0813515609452 0.156342260771} Pt46 1.0 46 1
78 {} {0.0809945741185 0.831480219639 0.156316857668} Pt47 1.0 47 1
78 {} {0.831396032322 0.0812642777114 0.156609870567} Pt48 1.0 48 1
78 {} {0.417415781879 0.413238881643 0.234445583467} Pt49 1.0 49 1
78 {} {0.416591215608 0.161919903189 0.235391635667} Pt50 1.0 50 1
78 {} {0.16470258618 0.414288740889 0.237101165445} Pt51 1.0 51 1
78 {} {0.665640735229 0.163512925663 0.235998148313} Pt52 1.0 52 1
78 {} {0.165209209732 0.666300161443 0.235028718211} Pt53 1.0 53 1
78 {} {0.91487314778 0.914187517846 0.235602572033} Pt54 1.0 54 1
78 {} {0.913038416889 0.66535527082 0.235142993997} Pt55 1.0 55 1
78 {} {0.665249244104 0.913680408737 0.235552768749} Pt56 1.0 56 1
78 {} {0.165437553296 0.162006128549 0.235471602569} Pt57 1.0 57 1
78 {} {0.913600849097 0.413842565763 0.235521705415} Pt58 1.0 58 1
78 {} {0.915125319503 0.163672897455 0.235640989156} Pt59 1.0 59 1
78 {} {0.665664925647 0.413702146531 0.235824974306} Pt60 1.0 60 1
78 {} {0.415494846324 0.913140982718 0.235588853187} Pt61 1.0 61 1
78 {} {0.415669368839 0.663810592269 0.236231649234} Pt62 1.0 62 1
78 {} {0.165339006803 0.913700990089 0.235529477055} Pt63 1.0 63 1
78 {} {0.664813796595 0.663818941925 0.23566941051} Pt64 1.0 64 1
1 {} {0.496153439542 0.371217244464 0.326556079706} H1 1.0 65 1
1 {} {0.415647747607 0.531613273703 0.316182321306} H2 1.0 66 1
1 {} {0.25539840351 0.45706160152 0.323218549047} H3 1.0 67 1
1 {} {0.0959073044461 0.563270922779 0.321369723107} H4 1.0 68 1
8 {} {0.41365541804 0.447501896003 0.327578652149} O1 1.0 69 1
8 {} {0.164114387871 0.46621051513 0.315420899705} O2 1.0 70 1
8 {} {0.561280933775 0.445260599808 0.396583831451} O3 1.0 71 1
8 {} {0.300149085904 0.573379237539 0.410228331467} O4 1.0 72 1
16 {} {0.43372500728 0.444876867491 0.406272242902} 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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@end
@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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