forked from lijiext/lammps
2020 lines
127 KiB
Plaintext
2020 lines
127 KiB
Plaintext
LAMMPS data file via write_data, version 30 Jun 2020, timestep = 0
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1000 atoms
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2 atom types
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0.0000000000000000e+00 9.4000000000000004e+00 xlo xhi
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0.0000000000000000e+00 9.4000000000000004e+00 ylo yhi
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0.0000000000000000e+00 9.4000000000000004e+00 zlo zhi
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Masses
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1 1
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2 1
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Atoms # atomic
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145 1 0.5277638428657475 1.248309700634391 0.8598403682178906 0 0 0
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429 1 0.49557720481897827 1.1038624310937764 1.9377559025942666 0 0 0
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899 2 0.07342629121738602 1.7531364344075921 1.5891211301763133 0 0 0
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682 1 1.6826184726299194 1.0811259652213423 1.9461998229465234 0 0 0
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244 1 1.4761893703068425 0.7430774730330858 0.7212046412387856 0 0 0
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29 1 0.5445105825679847 0.28368801979004804 1.3088646340439791 0 0 0
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67 1 1.7863040979340368 0.15157503572730732 1.457405643583397 0 0 0
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384 1 1.9244222194519844 3.7809039817086565 2.2613421581844753 0 0 0
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225 1 2.7073923410137852 0.7932278998475975 2.0643383028633067 0 0 0
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801 2 3.338914102490956 0.7307566793543181 1.4064981088006336 0 0 0
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569 1 2.412917493989252 0.9576647006114257 1.090727440878674 0 0 0
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169 1 3.108879753767929 1.2802985932093798 0.11486940760541614 0 0 0
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476 1 2.113066489667454 3.3276049377169006 0.08048499561456714 0 0 0
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649 1 4.413540565698467 0.23585142196862374 1.595269875377017 0 0 0
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554 1 3.7637715533965923 0.8125816245316908 0.7188948261658937 0 0 0
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127 1 4.428505482579466 1.2259209195878722 1.303084242560113 0 0 0
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984 2 4.5781424987862405 1.0591608692654104 0.34215949321370925 0 0 0
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53 1 2.343174424958621 4.682504899948102 1.6402952268865651 0 0 0
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327 1 1.1323586888268835 0.060095733225960735 2.223214089043464 0 0 0
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780 1 0.8362165496323644 2.0792822013481884 1.8860988363862468 0 0 0
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585 1 1.4550095815353463 1.734687872661982 1.146708579616091 0 0 0
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336 1 0.2898995368210303 2.2850143357710495 0.8051387661167426 0 0 0
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475 1 0.6310288811440546 3.2950870275397666 1.057900292737688 0 0 0
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48 1 1.2057847718040384 2.6429579707236406 0.3966356774826949 0 0 0
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670 1 3.252908145884779 4.086443651561742 1.189600534848268 0 0 0
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888 2 0.2100717746548165 2.6658301835652214 1.5912575828854998 0 0 0
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701 1 3.292578149461257 4.504638886251952 2.095044453361048 0 0 0
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985 2 1.0757412242480113 2.5803620971948726 1.200230769400078 0 0 0
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671 1 2.02799889871207 1.560616554529895 0.33644912322211457 0 0 0
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626 1 2.4294337755639606 1.7810959902250012 1.826362976579829 0 0 0
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144 1 1.8655281159191315 2.6212775773927577 1.8130986000196982 0 0 0
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290 1 2.191141856511072 2.5872380859749935 0.8702862642206104 0 0 0
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191 1 4.1191147733448 1.8455408883785942 0.5331551744446631 0 0 0
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685 1 3.3758528442956135 1.6223068915352756 1.385154638872689 0 0 0
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560 1 3.202835998743678 2.3253920746438386 0.4431668263171077 0 0 0
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220 1 4.148241988958063 2.116247996659482 1.806374156826387 0 0 0
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61 1 3.1367994059070297 2.6276791413258596 1.4431538406998374 0 0 0
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113 1 4.062136273687868 2.881218364347778 1.0305143988502827 0 0 0
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28 1 3.0716575722722483 3.2859448305772987 0.6870024194220179 0 0 0
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183 1 4.07477699237006 3.997200584428355 0.5885648999854848 0 0 0
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889 2 1.1124267051894956 3.6329438158289644 0.3794981401723566 0 0 0
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256 1 0.39887100609367104 4.1594466151873855 0.4647688578680667 0 0 0
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180 1 0.9438135618938199 4.063975781166288 1.7048721794865602 0 0 0
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497 1 1.630523929966394 3.5213698297450966 1.1378835079326473 0 0 0
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912 2 3.4047648750604855 3.7664564966767484 0.11005714178997596 0 0 0
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976 2 3.1156284344165055 2.3318250564676117 2.2826266247596174 0 0 0
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45 1 4.524038859357986 1.246753750465339 2.317529833174987 0 0 0
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159 1 2.4745906285217987 4.218516054217431 0.4905130111247355 0 0 0
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611 1 2.5456310270141502 3.488702645746503 1.5291856937241186 0 0 0
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51 1 1.5328052970874715 4.519001213448917 0.9590482975894724 0 0 0
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591 1 3.5585326696672035 3.405728620846827 1.9136021748853278 0 0 0
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179 1 4.6113688647799504 3.2503158329563906 2.0643273463577554 0 0 0
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125 1 0.8852447963265432 3.1015368794230445 2.0452273631159557 0 0 0
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271 1 4.278034141950979 4.108427056696086 1.6007902148740936 0 0 0
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738 1 2.8906759885957443 0.14719191737150764 0.5861874579128099 0 0 0
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474 1 3.7318678965815026 0.533375411654028 2.32749446761926 0 0 0
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663 1 0.1463148285241768 4.167697205266052 2.2880238479753037 0 0 0
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652 1 0.07258485387884993 0.013905468130944953 2.2216804941085466 0 0 0
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391 1 1.4779915260234442 4.685559697514931 2.2943943082165026 0 0 0
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240 1 0.8812854097112002 0.40576913767857575 3.1417498189686 0 0 0
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973 2 1.176835674640804 1.119130325135357 2.5161649203222063 0 0 0
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292 1 0.970567180825665 0.9264817769784192 4.2203683011255055 0 0 0
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414 1 1.7247613683066794 1.9496805558876988 2.561997643132842 0 0 0
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219 1 3.5475260403654585 3.8294184749970457 2.965223725255611 0 0 0
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448 1 2.7273038522588995 3.1992017642468213 2.5684294697808583 0 0 0
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863 2 0.3060001719391193 0.6563924565049183 3.7548402032849575 0 0 0
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224 1 1.4177223554144573 1.241189218905957 3.345880463750538 0 0 0
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139 1 0.08852390913086687 1.4248295954499461 3.8116469469612086 0 0 0
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396 1 0.5479454577643107 1.6495628858828657 2.8797828137745642 0 0 0
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227 1 2.0733762464749383 0.5376637134831721 3.720110047820531 0 0 0
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89 1 2.8697430936833572 1.0760494253385766 4.134500442277271 0 0 0
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136 1 1.9913088434771937 0.36085446647049796 2.6910415744213507 0 0 0
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588 1 2.9872469170321425 0.4461884436493573 3.095479153463313 0 0 0
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621 1 4.088295019349315 4.693946417282045 2.8357319473115554 0 0 0
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519 1 4.050168642473031 0.9873577253992902 3.2598995113462585 0 0 0
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478 1 4.004298053765235 0.7687134779941369 4.252683076924863 0 0 0
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998 2 3.2305686074746416 1.5272201977212878 3.512116406940774 0 0 0
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966 2 3.7883086049272716 0.2028331593086455 3.2748828218038404 0 0 0
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628 1 3.503856298237059 1.561791609491505 2.6159583070605037 0 0 0
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249 1 0.3165278739481482 3.078182922341505 3.4551502899790596 0 0 0
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248 1 3.5804640807983117 3.7706685675282365 3.9913414571895887 0 0 0
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625 1 0.09183140359502484 2.5918319391587405 2.4345798547527426 0 0 0
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68 1 0.8585281214202398 2.049460310732247 3.7787070819608104 0 0 0
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110 1 1.0663415043759406 2.932449329983136 4.55565667315144 0 0 0
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852 2 0.28866321756285646 3.388375320413804 2.6070306952190836 0 0 0
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849 2 1.2774093095651557 0.19943650166328425 3.8586775729866942 0 0 0
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933 2 4.3952026858517 3.277176660543018 3.988749506912577 0 0 0
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229 1 2.4466603533626827 1.2835956683791032 3.055256982916068 0 0 0
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366 1 1.0131283203703156 2.56461884331335 2.829777364460555 0 0 0
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873 2 2.160775413394267 1.4293709360290048 3.7892145705433293 0 0 0
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661 1 1.811190174369936 2.247467377587274 3.571236947232345 0 0 0
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830 2 2.400436402444945 2.920671994935757 3.7218178125414765 0 0 0
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188 1 2.6498581088267756 2.3089872776707514 3.0114594579550427 0 0 0
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425 1 2.7025005665992006 2.098000202034908 4.02626392624892 0 0 0
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20 1 2.8060637172246587 3.0355536894804347 4.492940292452441 0 0 0
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648 1 3.691276897577308 1.6873591185416548 4.489790974407105 0 0 0
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466 1 1.970708402398029 2.4991125104946326 4.597724529055095 0 0 0
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642 1 3.8747821978833663 2.079709146272144 3.4315674427639338 0 0 0
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311 1 3.7828346344874295 2.7334220627113828 4.384321894531077 0 0 0
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146 1 3.879866540535269 2.7141412418598474 2.578200670886365 0 0 0
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909 2 4.310246660248673 3.907721993669245 2.6416878732142095 0 0 0
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594 1 0.08462977836685588 2.507589124918393 4.23061191647688 0 0 0
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947 2 1.158137284728121 2.9341834333417944 3.6784732054755174 0 0 0
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643 1 0.8501343400947111 3.838134294367082 3.914631175151464 0 0 0
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424 1 1.058846519639664 3.683682968781925 2.8071196223285644 0 0 0
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589 1 4.499149050821548 4.070654765928493 3.589976753173416 0 0 0
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277 1 1.9238031372711228 0.4032952006534323 4.681326342513485 0 0 0
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676 1 3.292937179739665 2.9084854096565924 3.4946892474183784 0 0 0
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506 1 1.82246336829081 3.5014984225200814 4.179667981329589 0 0 0
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261 1 1.845830993298237 3.1652364682487995 3.1299078335497126 0 0 0
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764 1 2.590440544207109 3.8475348356771217 3.4130879119008903 0 0 0
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58 1 1.6597979073844928 4.273518693618718 3.5534096199735523 0 0 0
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684 1 2.789099885914691 4.272189692652827 4.366017185284194 0 0 0
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698 1 2.4674346127215516 4.678964318407647 2.810326527708683 0 0 0
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606 1 4.546284244013979 3.0940433677176746 3.183257615859921 0 0 0
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199 1 4.66805050752269 2.4442380705165454 4.085679441563789 0 0 0
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518 1 2.1525614505966115 1.4039427057395033 4.6969616275333905 0 0 0
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658 1 2.898200282050347 0.09938034146881282 4.071661258449059 0 0 0
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694 1 1.0260362385164372 0.8029522508080454 6.407172721733553 0 0 0
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748 1 0.2651876128539754 1.1317020619697766 5.655433713125751 0 0 0
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460 1 0.5731415400081943 0.16976130362292 5.659860233124263 0 0 0
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950 2 1.3816530157870974 4.432962792815111 5.4628862396579985 0 0 0
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673 1 0.25424594789717814 0.49296470913841145 4.775765735903501 0 0 0
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636 1 1.1582892660312611 0.8033582523651079 5.232138071826692 0 0 0
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167 1 2.924775420380627 1.1509176827257666 5.2138032328766775 0 0 0
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618 1 2.0029235443812174 0.8498999563169489 5.716996094773535 0 0 0
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666 1 1.8844016086052093 0.3079809536264891 6.614462003356411 0 0 0
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894 2 2.7599245669098784 0.040010904844748334 6.7250485891305525 0 0 0
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260 1 0.1093702385367654 0.0678960353838926 6.564904657786131 0 0 0
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794 1 4.1657720638397056 3.3162864399630085 5.8686012336685005 0 0 0
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773 1 4.356575979861566 3.4260745789813005 4.803312425949307 0 0 0
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901 2 3.6917530379325574 4.354946543002451 6.159109215422549 0 0 0
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800 1 2.9516875035613226 0.770711449202774 6.29576112430493 0 0 0
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871 2 3.572688216765952 0.5113921993921501 5.754497510194741 0 0 0
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102 1 4.074353915162682 0.879478945372018 6.303419836718571 0 0 0
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571 1 4.050432449810039 1.1999541912420013 5.309072469053397 0 0 0
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710 1 4.1660461299174445 4.3342998631834675 5.301786379813327 0 0 0
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152 1 4.522679238068392 4.290276731328267 6.243554083982541 0 0 0
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243 1 1.8517436044381579 4.356297322524938 4.71941027532172 0 0 0
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833 2 1.0972986757688454 1.6895393671119103 6.69225807247768 0 0 0
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530 1 0.1878517013375559 1.701060381434467 6.649969608200063 0 0 0
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13 1 0.6929143479683881 2.6009467886792748 6.299678265532109 0 0 0
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587 1 0.46869433085340556 2.2588914616004243 5.1554195612821765 0 0 0
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509 1 1.2301887809779366 1.6171642034336824 5.839101082099207 0 0 0
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305 1 1.350855082132806 2.6302938050884617 5.478714899958532 0 0 0
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295 1 0.38073393061880656 3.2860603836891484 5.400142321672691 0 0 0
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989 2 2.688856139848421 0.34778401799238806 4.9625388118711475 0 0 0
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508 1 1.891332478748048 1.4186587877891812 6.692525598480459 0 0 0
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490 1 2.2164992665795844 1.8237577773933944 5.5983437845780495 0 0 0
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121 1 2.855613454015177 1.6909234237569948 6.700950334341317 0 0 0
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286 1 1.66622773231607 2.4186382750149513 6.446673771536644 0 0 0
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166 1 2.8243262848155517 2.5848344301918353 6.264613247403719 0 0 0
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740 1 3.4319969321133326 3.620681351572226 5.027908767081384 0 0 0
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927 2 3.2328201792963793 2.9204026704597643 5.441806594958276 0 0 0
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528 1 2.9563878312652383 2.1877963157503952 5.053383279379585 0 0 0
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542 1 4.381314375781399 1.8333566499788063 6.193140371740956 0 0 0
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65 1 3.4388607285356283 1.7912195320263686 5.860785938009328 0 0 0
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543 1 3.7999138417791785 2.5844134134012147 6.391282654905358 0 0 0
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158 1 3.947246202942619 2.421275360432307 5.3580626152769675 0 0 0
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770 1 4.6733010553490555 1.859700647164477 4.8790787024861615 0 0 0
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526 1 3.2100846233882914 3.516120462059007 6.0408874639482635 0 0 0
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943 2 0.010569424775135219 2.0790296211510175 5.857357334684908 0 0 0
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442 1 4.400828597179486 3.1882852421314225 6.956245660581132 0 0 0
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46 1 0.8412589294719846 4.21553682779861 4.847448415405185 0 0 0
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11 1 0.3721453387582624 4.094891201402139 6.052519901400926 0 0 0
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418 1 1.2352751970766052 3.2961274710817023 6.890743442483084 0 0 0
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718 1 1.2934998879059314 3.600000427799339 5.828724742747593 0 0 0
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480 1 1.7528327403466626 4.339995337236726 6.749878365615412 0 0 0
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238 1 3.1130058366153657 4.45823150480696 5.397143108464799 0 0 0
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330 1 2.724023759582622 4.377691652433179 6.4573168879614595 0 0 0
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970 2 1.5469449659979573 3.587719796270604 5.00948528690214 0 0 0
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537 1 2.2241492597225423 3.9424522782963725 5.611121406709805 0 0 0
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410 1 2.320101032949769 3.417035550545079 6.564117122196855 0 0 0
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353 1 2.348234463476297 2.9552587471693466 5.488739569672679 0 0 0
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566 1 3.776525180380667 1.751488804033288 7.01604900323432 0 0 0
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874 2 4.6326413150658095 2.7878891639992642 6.29006182463189 0 0 0
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629 1 3.581065825431931 0.06573986219327406 6.737220828887048 0 0 0
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514 1 0.14154412598662353 3.3613750389769774 6.7866332912226035 0 0 0
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503 1 3.659261656174536 0.13240036043444225 5.007544845001775 0 0 0
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928 2 0.01177126051771499 3.972154289641979 5.119939881334149 0 0 0
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919 2 4.418843032600845 0.39840705613993194 5.476934225148002 0 0 0
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858 2 4.46624436259347 2.1708446938953907 6.941057077610845 0 0 0
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128 1 1.2197728844030749 1.7416789465726512 4.788141300891697 0 0 0
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465 1 0.9819392558103155 1.0885254267753437 8.162034911261536 0 0 0
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524 1 0.5170552267334018 0.9149304192396098 9.282315429752963 0 0 0
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387 1 1.3581456417736977 0.37306329252743614 9.122150343349302 0 0 0
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415 1 0.48610785866183254 0.7582465655327347 7.233370428051925 0 0 0
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811 2 1.6232233427121854 4.605327100570857 7.730366312647447 0 0 0
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895 2 0.15411200600756475 3.942904026726302 7.5682988042470924 0 0 0
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706 1 1.5488504049416616 0.7773922552003865 7.419306382403394 0 0 0
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558 1 2.662566362815574 0.826726727482672 7.286521091986568 0 0 0
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284 1 2.151423788863854 0.6133393903842683 8.226300293738982 0 0 0
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12 1 4.6763497175252775 1.3439591221272045 7.164636288077378 0 0 0
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304 1 2.350681601272774 1.4773388721796943 8.698163696460758 0 0 0
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904 2 3.0995723734329017 2.503540578936194 7.096816228556888 0 0 0
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851 2 0.06650612363386632 2.2192560794724128 9.184641501615273 0 0 0
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294 1 3.264200309231775 0.9782427173503384 8.532320530196047 0 0 0
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731 1 1.6149001980163091 4.23911273914147 9.399995572847624 0 0 0
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940 2 3.791830119803601 0.3432269290669477 8.387919372046756 0 0 0
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627 1 3.692238703878853 0.836100676254688 7.556026470778042 0 0 0
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741 1 4.603144047037804 0.5065965199065466 8.17684001490956 0 0 0
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456 1 4.083576925928145 0.6994059528840701 9.123564105181268 0 0 0
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282 1 2.9636539066314036 4.282017391886135 8.981896843592022 0 0 0
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681 1 6.7219540250027014 6.011810603597788 6.061710951648358 0 0 0
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122 1 8.329997373877385 6.991274138513314 6.464789453371372 0 0 0
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944 2 5.6985550451914095 9.077297361615296 5.7860132740530865 0 0 0
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870 2 5.935805039298157 5.7795957502120965 4.7662217110097735 0 0 0
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217 1 7.85849434444801 8.920425239475433 5.763263022318681 0 0 0
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812 2 6.387307039153251 5.136546450472112 8.876190166114155 0 0 0
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318 1 7.083572546892163 5.68682736137694 9.023244619994005 0 0 0
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461 1 7.505375485221998 6.077228629061062 8.135808110756088 0 0 0
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650 1 6.424139133879854 6.191729005008354 7.941625468280793 0 0 0
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262 1 6.097437571423336 5.933866297174619 9.06789065900589 0 0 0
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929 2 8.650069429036712 4.795052978504988 7.46860183032307 0 0 0
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285 1 8.180662795141693 5.356096513729841 9.337578768106695 0 0 0
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779 1 7.930523613702338 6.426781208587191 7.195311490004049 0 0 0
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547 1 8.385273327252216 7.436427947302917 7.372306781913172 0 0 0
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715 1 7.895583094918496 6.398401467990997 9.144343049279284 0 0 0
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516 1 7.935001366037196 9.19657216306767 7.5432620676790805 0 0 0
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539 1 5.0544386746240395 7.95330860552576 7.386374646548072 0 0 0
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918 2 5.716790521853768 7.862798754315386 7.897058003872731 0 0 0
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100 1 6.013229826685198 8.54708143059547 8.944852053230937 0 0 0
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827 2 5.286085340978132 8.553401754404222 8.36211693752687 0 0 0
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117 1 4.879369454571348 8.883520948886824 7.734867628873129 0 0 0
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66 1 8.948178286118242 8.695349184546 7.309409752799107 0 0 0
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130 1 7.2472664491748215 4.709976050383358 8.918622362982154 0 0 0
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Velocities
|
|
|
|
145 -0.05833584060481603 0.0026282203042683866 -2.474187828611458
|
|
429 -0.879256497632771 0.45158388706493696 0.3250317199374332
|
|
899 -0.9282219942393412 0.06255711070804729 1.7615858344842659
|
|
682 -1.6571219494067382 -0.24025355366778178 0.45109067413463233
|
|
244 -0.35806206100473886 0.4170339478550372 -0.473055689268194
|
|
29 -0.032119634708038 -2.3001510920443367 0.7140870810334798
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|
67 -0.18481650436419417 0.47659147070378094 1.9398285346916604
|
|
384 -1.1227193119829626 -0.3888484338422606 -0.4313283000502766
|
|
225 -0.5648812091779618 1.344385229784661 -1.7138927081867172
|
|
801 0.07914768229785453 -0.12602060948996402 -0.05693412628026187
|
|
569 0.5803076321365165 -1.2561674895476096 -0.6253834181376982
|
|
169 -0.23186304989539708 1.6118406709037372 -0.030885685357351245
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|
476 0.2039882393771794 -0.8710759077659561 -2.1631691958552213
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|
649 -0.5193966264006757 -1.8021905280049926 -0.49812267593351256
|
|
554 -0.834003183517586 0.7621873153072178 1.570456364727159
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127 -1.2887811319633469 -1.6732292462749154 -0.8652820603943276
|
|
984 0.7331622932018593 -1.0965847127589976 -0.21398241698773074
|
|
53 0.9294307552121837 0.12785067909508563 0.34128077733346496
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327 0.8149597084771996 -0.137584611717335 -0.4943448544935903
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780 0.5349827458478169 -0.6879517359426442 0.32114902907624565
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336 1.2095971643315635 -0.9560800882164231 0.24723449719828072
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475 0.021717476708869372 -0.18047207298856668 -0.47245764065034745
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670 0.08641284445961249 -0.0522340342778723 1.4757064563611617
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|
888 -1.4271042784094672 -0.3896677659914921 1.2712150021772097
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701 -0.18549947456275048 -0.7607539408060974 0.3582046857826237
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|
985 1.587411101655783 0.06889382592717352 1.0319390456008202
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671 1.5410641230962363 -1.4592249971699311 0.39750819503590895
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|
626 -0.48232269189050136 0.538415194253752 -0.03604214657976919
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|
144 0.5523812932544825 -0.24723168160699627 -2.2235243657411523
|
|
290 -0.5063994467091466 -0.06906689657211958 -0.5006946287437515
|
|
191 0.8508345581746899 0.4151352374024982 -0.8996704442105657
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|
685 0.3115544685393898 -0.670265312042276 2.0516569355608345
|
|
560 0.14197168995975515 1.1081023597614603 0.20913308809443804
|
|
220 0.7370534616085213 0.9343147813755496 0.5644766006584327
|
|
61 0.450642767429438 0.9110825048031471 1.0118697782950283
|
|
113 -1.037228216559155 0.05010964421957784 0.3575949125356904
|
|
28 -0.7576260218549729 0.39128141829666724 1.0927347897169364
|
|
183 0.33020157811153883 0.04235173368462938 3.07152607734731
|
|
889 -1.0724210746431866 0.35678844919551056 -0.6043614446978788
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|
256 0.20107230949660937 -0.3413875533106316 1.1201155290196654
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|
180 0.40844370782831035 0.5273549119018686 -0.025751878193706217
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|
497 0.42477315848250247 0.09298263681989496 -0.0020168515079834175
|
|
912 -0.137876466112509 0.01958201073995367 1.1053230680569874
|
|
976 0.4292357911941934 -0.03859679595086357 -1.7438340477916614
|
|
45 -0.4015330154326194 0.1840967660553356 -0.22402994135793466
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|
159 -0.3458543493513141 -0.9599793816919415 -0.6178629412637154
|
|
611 1.2975147201369035 -0.4928307883175628 -0.4216215412841894
|
|
51 0.6479847597106716 -0.9820076651855694 -0.41198441591714147
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