forked from lijiext/lammps
511 lines
33 KiB
Groff
511 lines
33 KiB
Groff
LAMMPS (30 Apr 2015)
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# 2d circle of particles inside a box with LJ walls
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variable b index 0
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variable x index 50
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variable y index 20
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variable d index 20
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# careful not to slam into wall too hard
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variable v index 0.3
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variable w index 0.08
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units lj
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dimension 2
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atom_style bond
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boundary f f p
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lattice hex 0.85
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Lattice spacing in x,y,z = 1.16553 2.01877 1.16553
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region box block 0 $x 0 $y -0.5 0.5
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region box block 0 50 0 $y -0.5 0.5
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region box block 0 50 0 20 -0.5 0.5
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create_box 1 box bond/types 1 extra/bond/per/atom 6
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Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
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1 by 1 by 1 MPI processor grid
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region circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
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region circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
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region circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
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region circle sphere 11 6.7735026918962581988 0.0 10
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create_atoms 1 region circle
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Created 361 atoms
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mass 1 1.0
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velocity all create 0.5 87287 loop geom
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velocity all set $v $w 0 sum yes
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velocity all set 0.3 $w 0 sum yes
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velocity all set 0.3 0.08 0 sum yes
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pair_style lj/cut 2.5
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pair_coeff 1 1 10.0 1.0 2.5
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bond_style harmonic
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bond_coeff 1 10.0 1.2
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create_bonds all all 1 1.0 1.5
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Neighbor list info ...
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2 neighbor list requests
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update every 1 steps, delay 10 steps, check yes
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master list distance cutoff = 2.8
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Added 1014 bonds, new total = 1014
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6 = max # of 1-2 neighbors
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30 = max # of 1-3 neighbors
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180 = max # of 1-4 neighbors
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36 = max # of special neighbors
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neighbor 0.3 bin
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neigh_modify delay 0 every 1 check yes
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fix 1 all nve
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fix 2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
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fix 2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
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fix 3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
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fix 3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5
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comm_style tiled
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fix 10 all balance 50 0.9 rcb
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#compute 1 all property/atom proc
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#variable p atom (c_1%10)+1
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#dump 2 all custom 50 tmp.dump id v_p x y z
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#dump 3 all image 200 image.*.jpg v_p type bond atom 0.25 # adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
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#variable colors string # "red green blue yellow white # purple pink orange lime gray"
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#dump_modify 3 pad 5 amap 0 10 sa 1 10 ${colors}
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thermo_style custom step temp epair press f_10[3] f_10
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thermo 100
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run 40000
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Neighbor list info ...
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1 neighbor list requests
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update every 1 steps, delay 0 steps, check yes
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master list distance cutoff = 2.8
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Memory usage per processor = 6.31529 Mbytes
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Step Temp E_pair Press 10[3] 10
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0 0.57437856 0 0.26099453 1 1
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100 0.29756515 0 0.10149401 1 1
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200 0.35394813 0 0.075159099 1 1
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300 0.39245849 0 0.033002384 1 1
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400 0.34078347 0 -0.020825841 1 1
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500 0.35201095 0 -0.062637506 1 1
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600 0.34014717 0 -0.11122965 1 1
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700 0.3323524 0 -0.11598015 1 1
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800 0.35116047 0 -0.096162395 1 1
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900 0.35695352 0 -0.01385176 1 1
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1000 0.36986539 0 0.056772858 1 1
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1100 0.34584644 0 0.084941323 1 1
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1200 0.31921435 0 0.10545078 1 1
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1300 0.32952819 0 0.124902 1 1
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1400 0.34497365 0 0.12662081 1 1
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1500 0.33429243 0 0.096230972 1 1
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1600 0.33765387 0 0.025800542 1 1
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1700 0.35134464 0 -0.04422593 1 1
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1800 0.35003859 0 -0.096745576 1 1
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1900 0.33839618 0 -0.095465943 1 1
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2000 0.33732078 0 -0.094652802 1 1
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2100 0.34552238 0 -0.076729261 1 1
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2200 0.34893142 0 -0.036853228 1 1
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2300 0.35379341 0 0.021124847 1 1
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2400 0.34829744 0 0.09230184 1 1
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2500 0.33038141 0 0.1399855 1 1
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2600 0.30983019 0 0.12754742 1 1
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2700 0.32992561 0 0.10485138 1 1
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2800 0.34604747 0 0.066174138 1 1
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2900 0.3444791 0 0.036590652 1 1
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3000 0.34721342 0 -0.023793368 1 1
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3100 0.33404314 0 -0.08374223 1 1
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3200 0.33019355 0 -0.12715599 1 1
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3300 0.33515177 0 -0.12217394 1 1
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3400 0.33628481 0 -0.070877624 1 1
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3500 0.34257038 0 -0.021612062 1 1
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3600 0.32838009 0 0.030131228 1 1
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3700 0.34462142 0 0.074586378 1 1
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3800 0.30891825 0 0.10605673 1 1
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3900 0.33847951 0 0.13956139 1 1
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4000 0.32952079 0 0.12688129 1 1
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4100 0.32646772 0 0.081089042 1 1
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4200 0.35399503 0 0.013422873 1 1
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4300 0.33154914 0 -0.050919508 1 1
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4400 0.34113556 0 -0.083171 1 1
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4500 0.32651708 0 -0.1063133 1 1
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4600 0.34359609 0 -0.1076395 1 1
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4700 0.34973537 0 -0.088231606 1 1
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4800 0.35198515 0 -0.020901044 1 1
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4900 0.35187284 0 0.043645941 1 1
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5000 0.34887336 0 0.095698609 1 1
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5100 0.30308163 0 0.11649328 1 1
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5200 0.32401285 0 0.12072411 1 1
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5300 0.33025072 0 0.10933161 1 1
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5400 0.33288012 0 0.078356448 1 1
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5500 0.35142492 0 0.036958063 1 1
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5600 0.35125368 0 -0.041371343 1 1
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5700 0.34547744 0 -0.096450846 1 1
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5800 0.30939887 0 -0.12356656 1 1
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5900 0.32315628 0 -0.11338676 1 1
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6000 0.34117485 0 -0.066198961 1 1
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6100 0.35298043 0 -0.016172816 1 1
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6200 0.35130653 0 0.027660468 1 1
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6300 0.35398766 0 0.087221238 1 1
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6400 0.30963379 0 0.11990957 1 1
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6500 0.3174541 0 0.14103528 1 1
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6600 0.31989791 0 0.11575506 1 1
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6700 0.33811477 0 0.060747353 1 1
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6800 0.3424043 0 0.010357152 1 1
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6900 0.34804319 0 -0.042621786 1 1
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7000 0.35357865 0 -0.067248959 1 1
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7100 0.33556885 0 -0.10983726 1 1
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7200 0.33531101 0 -0.112179 1 1
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7300 0.35742607 0 -0.078405267 1 1
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7400 0.34577559 0 -0.01985432 1 1
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7500 0.3498641 0 0.052289439 1 1
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7600 0.33773715 0 0.092939035 1 1
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7700 0.33093497 0 0.11924405 1 1
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7800 0.31435814 0 0.12701724 1 1
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7900 0.33132217 0 0.10793075 1 1
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8000 0.33451798 0 0.077993125 1 1
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8100 0.35188371 0 0.019929977 1 1
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8200 0.33645742 0 -0.039302079 1 1
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8300 0.3415632 0 -0.098067982 1 1
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8400 0.30619282 0 -0.12952879 1 1
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8500 0.34446484 0 -0.098084709 1 1
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8600 0.33761673 0 -0.07069818 1 1
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8700 0.34495452 0 -0.022458056 1 1
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8800 0.33502983 0 0.027742411 1 1
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8900 0.35418591 0 0.092390134 1 1
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9000 0.31648387 0 0.12467398 1 1
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9100 0.33994825 0 0.14460327 1 1
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9200 0.33822571 0 0.11273284 1 1
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9300 0.33260773 0 0.060063671 1 1
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9400 0.36140305 0 0.021427642 1 1
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9500 0.34273562 0 -0.034064202 1 1
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9600 0.33867054 0 -0.089076906 1 1
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9700 0.32088235 0 -0.12027075 1 1
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9800 0.3320823 0 -0.11602794 1 1
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9900 0.33916442 0 -0.080281044 1 1
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10000 0.34852268 0 -0.01000914 1 1
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10100 0.32955942 0 0.04258493 1 1
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10200 0.34487898 0 0.086971308 1 1
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10300 0.32325593 0 0.11558149 1 1
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10400 0.30927871 0 0.12239437 1 1
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10500 0.33176799 0 0.12285937 1 1
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10600 0.35120027 0 0.084897432 1 1
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10700 0.33129697 0 0.0053089279 1 1
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10800 0.36028769 0 -0.04280715 1 1
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10900 0.35552287 0 -0.084955999 1 1
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11000 0.3406024 0 -0.096554577 1 1
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11100 0.33041202 0 -0.10703492 1 1
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11200 0.32442686 0 -0.084328121 1 1
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11300 0.35952468 0 -0.020191965 1 1
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11400 0.34610624 0 0.03440148 1 1
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11500 0.3415612 0 0.1041929 1 1
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11600 0.34040042 0 0.13215705 1 1
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11700 0.33555094 0 0.12738686 1 1
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11800 0.3458647 0 0.10963398 1 1
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11900 0.33836678 0 0.067253864 1 1
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12000 0.34853314 0 0.03201448 1 1
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12100 0.34600048 0 -0.034833402 1 1
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12200 0.33145631 0 -0.09865675 1 1
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12300 0.32848884 0 -0.1248489 1 1
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12400 0.3321344 0 -0.11266575 1 1
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12500 0.32622305 0 -0.061634993 1 1
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12600 0.36213537 0 -0.0090593315 1 1
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12700 0.34673866 0 0.036734645 1 1
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12800 0.34606618 0 0.086267678 1 1
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12900 0.34271431 0 0.12415522 1 1
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13000 0.31993287 0 0.13879926 1 1
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13100 0.3422918 0 0.11978905 1 1
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13200 0.33055236 0 0.062620483 1 1
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13300 0.34652207 0 0.0043833459 1 1
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13400 0.33574661 0 -0.04691024 1 1
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13500 0.33940837 0 -0.074241604 1 1
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13600 0.32093414 0 -0.1078027 1 1
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13700 0.34336597 0 -0.10544097 1 1
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13800 0.35806461 0 -0.072531559 1 1
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13900 0.35209713 0 -0.018851408 1 1
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14000 0.35702629 0 0.061046366 1 1
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14100 0.33234093 0 0.094086465 1 1
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14200 0.3459466 0 0.12186656 1 1
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14300 0.3327428 0 0.11396572 1 1
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14400 0.32409443 0 0.10658903 1 1
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14500 0.35022184 0 0.083558031 1 1
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14600 0.34823843 0 0.024605569 1 1
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14700 0.35298973 0 -0.040418888 1 1
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14800 0.33679845 0 -0.10067728 1 1
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14900 0.32790966 0 -0.10925568 1 1
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15000 0.34208495 0 -0.09568004 1 1
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15100 0.33647529 0 -0.055652929 1 1
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15200 0.35328398 0 -0.020236536 1 1
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15300 0.34252669 0 0.026434179 1 1
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15400 0.34409435 0 0.094410599 1 1
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15500 0.32288994 0 0.12034455 1 1
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15600 0.32109689 0 0.13645185 1 1
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15700 0.33681572 0 0.098607746 1 1
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15800 0.33635195 0 0.05570715 1 1
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15900 0.34289757 0 0.013849092 1 1
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16000 0.34225547 0 -0.035597548 1 1
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16100 0.33660991 0 -0.076931881 1 1
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16200 0.32802152 0 -0.12765884 1 1
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16300 0.3469374 0 -0.10785455 1 1
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16400 0.34053641 0 -0.070259853 1 1
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16500 0.34610591 0 -0.014315306 1 1
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16600 0.35109001 0 0.041251169 1 1
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16700 0.34336905 0 0.077996627 1 1
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16800 0.33277414 0 0.11053634 1 1
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16900 0.32183338 0 0.11680626 1 1
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17000 0.34044352 0 0.10806555 1 1
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17100 0.32967873 0 0.067759786 1 1
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17200 0.36172278 0 -0.0048631904 1 1
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17300 0.35619435 0 -0.04215545 1 1
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17400 0.34540936 0 -0.093994174 1 1
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17500 0.33193585 0 -0.098831315 1 1
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17600 0.3544756 0 -0.085660403 1 1
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17700 0.34505209 0 -0.069640515 1 1
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17800 0.36291124 0 -0.0063088133 1 1
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17900 0.34255705 0 0.046794555 1 1
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18000 0.34163238 0 0.11767705 1 1
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18100 0.3466445 0 0.1351712 1 1
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18200 0.33037668 0 0.12703659 1 1
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18300 0.33677404 0 0.10956306 1 1
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18400 0.34978954 0 0.087193072 1 1
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18500 0.33354363 0 0.051095814 1 1
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18600 0.34651729 0 0.0056245561 1 1
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18700 0.32622232 0 -0.047319269 1 1
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18800 0.32978847 0 -0.054929416 1 1
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18900 0.34192451 0 -0.037252471 1 1
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19000 0.34061294 0 -0.001167235 1 1
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19100 0.34194478 0 0.016945224 1 1
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19200 0.33321765 0 0.050665354 1 1
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19300 0.33197783 0 0.080470585 1 1
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19400 0.33284715 0 0.12423599 1 1
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19500 0.33867856 0 0.12689524 1 1
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19600 0.36092786 0 0.11417704 1 1
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19700 0.34270183 0 0.069038291 1 1
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19800 0.34880695 0 0.042483681 1 1
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19900 0.33903644 0 0.034788638 1 1
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20000 0.32590125 0 0.011383785 1 1
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20100 0.30358859 0 0.0030743554 1 1
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20200 0.31830224 0 0.017637826 1 1
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20300 0.34195438 0 0.072811099 1 1
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20400 0.31249563 0 0.10063541 1 1
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20500 0.31544938 0 0.1405794 1 1
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20600 0.30071644 0 0.12763486 1 1
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20700 0.2890265 0 0.1136651 1 1
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20800 0.28962296 0 0.094481978 1 1
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20900 0.29447212 0 0.0967165 1 1
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21000 0.31159961 0 0.067307231 1 1
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21100 0.30490648 0 0.017689358 1 1
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21200 0.30687262 0 -0.016055512 1 1
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21300 0.30083286 0 -0.0014988997 1 1
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21400 0.32070426 0 0.015960302 1 1
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21500 0.31439311 0 0.038170385 1 1
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21600 0.32617832 0 0.043263788 1 1
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21700 0.35151793 0 0.066302727 1 1
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21800 0.35912885 0 0.070099103 1 1
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21900 0.32451958 0 0.068935768 1 1
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22000 0.35219298 0 0.067161227 1 1
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22100 0.34857705 0 0.032731746 1 1
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22200 0.34750227 0 0.0056917695 1 1
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22300 0.34766017 0 -0.0027090483 1 1
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22400 0.33426062 0 -0.023196063 1 1
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22500 0.34174625 0 -0.025019717 1 1
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22600 0.3356145 0 -0.029707418 1 1
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22700 0.3362653 0 -0.035815733 1 1
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22800 0.33973405 0 -0.0024705835 1 1
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22900 0.33813085 0 0.0077527467 1 1
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23000 0.33339981 0 0.028340744 1 1
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23100 0.34079832 0 0.018521302 1 1
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23200 0.33074548 0 0.032378405 1 1
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23300 0.32965664 0 0.035989589 1 1
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23400 0.30927749 0 0.024581106 1 1
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23500 0.32890632 0 0.01092479 1 1
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23600 0.34137438 0 0.0094839745 1 1
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23700 0.34512638 0 -0.012392771 1 1
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23800 0.31781354 0 -0.012908449 1 1
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23900 0.32405513 0 -0.015018071 1 1
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24000 0.33549728 0 -0.012812915 1 1
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24100 0.31368736 0 -0.020818372 1 1
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24200 0.33533836 0 0.0056121057 1 1
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24300 0.32530627 0 0.018183931 1 1
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24400 0.31930662 0 0.027446878 1 1
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24500 0.33540302 0 0.040307455 1 1
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24600 0.34020431 0 0.027403921 1 1
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24700 0.3291814 0 0.01204865 1 1
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24800 0.31552604 0 0.019654111 1 1
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24900 0.34727253 0 0.01670543 1 1
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25000 0.35120105 0 0.0038617562 1 1
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25100 0.32706871 0 -0.021196623 1 1
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25200 0.32915282 0 -0.017146508 1 1
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25300 0.32577518 0 -0.01312495 1 1
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25400 0.33286855 0 0.0014726193 1 1
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25500 0.33002601 0 0.0080974022 1 1
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25600 0.34127655 0 0.014296091 1 1
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25700 0.34048065 0 0.022513032 1 1
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25800 0.33029079 0 0.038733531 1 1
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25900 0.33031324 0 0.026156982 1 1
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26000 0.32967371 0 0.028727383 1 1
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26100 0.33775718 0 0.015607478 1 1
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26200 0.35097144 0 0.012291703 1 1
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26300 0.34303792 0 0.00094823191 1 1
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26400 0.33632665 0 -0.0026904889 1 1
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26500 0.33580127 0 -0.0074168555 1 1
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26600 0.33063188 0 -0.020378601 1 1
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26700 0.33581846 0 -0.00084397268 1 1
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26800 0.32998532 0 0.015932208 1 1
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26900 0.33825444 0 0.010428603 1 1
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27000 0.32081518 0 0.019818223 1 1
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27100 0.31448098 0 0.020093416 1 1
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27200 0.32643684 0 0.021934917 1 1
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27300 0.33289466 0 0.023713072 1 1
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27400 0.32310744 0 0.024110945 1 1
|
|
27500 0.33115619 0 0.0025776713 1 1
|
|
27600 0.33295887 0 -0.010710764 1 1
|
|
27700 0.32968876 0 -0.0064595905 1 1
|
|
27800 0.34064581 0 -0.0086519116 1 1
|
|
27900 0.33559187 0 -0.0055753593 1 1
|
|
28000 0.32300727 0 -0.0004153384 1 1
|
|
28100 0.32147461 0 -0.0058543412 1 1
|
|
28200 0.35532383 0 0.013646951 1 1
|
|
28300 0.31507942 0 0.026532255 1 1
|
|
28400 0.32711006 0 0.033214981 1 1
|
|
28500 0.34472462 0 0.028050837 1 1
|
|
28600 0.33708059 0 0.019115676 1 1
|
|
28700 0.34478087 0 0.023743689 1 1
|
|
28800 0.34546686 0 0.0081772997 1 1
|
|
28900 0.34004886 0 0.017771865 1 1
|
|
29000 0.33604232 0 -0.010505671 1 1
|
|
29100 0.33541374 0 -0.016273261 1 1
|
|
29200 0.34347489 0 -0.010002306 1 1
|
|
29300 0.34083904 0 0.0089701784 1 1
|
|
29400 0.34846892 0 0.020765104 1 1
|
|
29500 0.3416255 0 0.022650856 1 1
|
|
29600 0.33725496 0 0.020693083 1 1
|
|
29700 0.34480638 0 0.024317128 1 1
|
|
29800 0.31459471 0 0.023097895 1 1
|
|
29900 0.33014448 0 0.03114046 1 1
|
|
30000 0.33741498 0 0.015624314 1 1
|
|
30100 0.32598657 0 -0.0018860541 1 1
|
|
30200 0.34855815 0 0.0017983372 1 1
|
|
30300 0.33375921 0 0.0010991235 1 1
|
|
30400 0.35008944 0 -0.0027316177 1 1
|
|
30500 0.33279729 0 -0.0035788551 1 1
|
|
30600 0.33868746 0 -0.0016249482 1 1
|
|
30700 0.33597034 0 -0.0014524001 1 1
|
|
30800 0.3227257 0 0.016353457 1 1
|
|
30900 0.32676516 0 0.027396654 1 1
|
|
31000 0.34083982 0 0.031606413 1 1
|
|
31100 0.32165238 0 0.013583368 1 1
|
|
31200 0.3428492 0 0.020486611 1 1
|
|
31300 0.32372541 0 0.01215566 1 1
|
|
31400 0.32734692 0 0.016229397 1 1
|
|
31500 0.33089262 0 0.0060426618 1 1
|
|
31600 0.34273493 0 -0.013456537 1 1
|
|
31700 0.32723905 0 -0.019243766 1 1
|
|
31800 0.33636488 0 0.0027814902 1 1
|
|
31900 0.32834805 0 0.00706877 1 1
|
|
32000 0.33995148 0 0.0018383309 1 1
|
|
32100 0.33412282 0 0.0076455933 1 1
|
|
32200 0.34334884 0 0.023586129 1 1
|
|
32300 0.32778925 0 0.020564321 1 1
|
|
32400 0.33163443 0 0.038878463 1 1
|
|
32500 0.32290345 0 0.022247461 1 1
|
|
32600 0.34113954 0 0.010966365 1 1
|
|
32700 0.33390633 0 0.0037777555 1 1
|
|
32800 0.34385341 0 0.010556575 1 1
|
|
32900 0.32137047 0 0.00022027143 1 1
|
|
33000 0.32079172 0 -0.017261272 1 1
|
|
33100 0.33570882 0 -0.0051942206 1 1
|
|
33200 0.34320894 0 -0.011515281 1 1
|
|
33300 0.32794746 0 -0.0018153673 1 1
|
|
33400 0.33060982 0 0.027118146 1 1
|
|
33500 0.33641809 0 0.02143035 1 1
|
|
33600 0.33643061 0 0.020833068 1 1
|
|
33700 0.3485949 0 0.030918751 1 1
|
|
33800 0.3283985 0 0.01947613 1 1
|
|
33900 0.31959761 0 0.021128147 1 1
|
|
34000 0.33897984 0 0.015270986 1 1
|
|
34100 0.32392267 0 0.0020130852 1 1
|
|
34200 0.33084514 0 -0.024316708 1 1
|
|
34300 0.3342259 0 -0.0059047764 1 1
|
|
34400 0.33385098 0 0.0063818721 1 1
|
|
34500 0.33255603 0 -0.01023837 1 1
|
|
34600 0.34766173 0 0.0056703013 1 1
|
|
34700 0.339822 0 0.0061648559 1 1
|
|
34800 0.33902329 0 0.030037037 1 1
|
|
34900 0.3216153 0 0.027996689 1 1
|
|
35000 0.32701056 0 0.024778517 1 1
|
|
35100 0.3124942 0 0.011316548 1 1
|
|
35200 0.34486416 0 0.011670127 1 1
|
|
35300 0.33275353 0 0.020491246 1 1
|
|
35400 0.33618763 0 0.014678874 1 1
|
|
35500 0.32352282 0 -0.018568683 1 1
|
|
35600 0.32617903 0 -0.012796912 1 1
|
|
35700 0.32378048 0 -0.021318585 1 1
|
|
35800 0.3371086 0 -0.0023678632 1 1
|
|
35900 0.33818476 0 0.011197742 1 1
|
|
36000 0.35142144 0 0.022520935 1 1
|
|
36100 0.35147297 0 0.020277852 1 1
|
|
36200 0.33489465 0 0.014564878 1 1
|
|
36300 0.33841515 0 0.036439962 1 1
|
|
36400 0.32301096 0 0.019966746 1 1
|
|
36500 0.35612028 0 0.036509556 1 1
|
|
36600 0.33841597 0 -0.0042180605 1 1
|
|
36700 0.34477654 0 -0.0052770853 1 1
|
|
36800 0.33804317 0 -0.013751733 1 1
|
|
36900 0.35003816 0 -0.0021184393 1 1
|
|
37000 0.32965041 0 -0.020900951 1 1
|
|
37100 0.34653095 0 -0.013667977 1 1
|
|
37200 0.35019871 0 -0.0071740923 1 1
|
|
37300 0.34859745 0 0.02006041 1 1
|
|
37400 0.35739859 0 0.020892822 1 1
|
|
37500 0.34128859 0 0.041072111 1 1
|
|
37600 0.33781905 0 0.023376738 1 1
|
|
37700 0.32961874 0 0.030953741 1 1
|
|
37800 0.343987 0 0.029579795 1 1
|
|
37900 0.33610448 0 0.036836828 1 1
|
|
38000 0.32757228 0 0.020902031 1 1
|
|
38100 0.32735808 0 0.019544751 1 1
|
|
38200 0.35646953 0 0.044607528 1 1
|
|
38300 0.32509773 0 0.03610738 1 1
|
|
38400 0.32111741 0 0.034474043 1 1
|
|
38500 0.30590608 0 0.053461212 1 1
|
|
38600 0.32322402 0 0.053453832 1 1
|
|
38700 0.33843057 0 0.076264534 1 1
|
|
38800 0.31350741 0 0.064733869 1 1
|
|
38900 0.31943061 0 0.067836769 1 1
|
|
39000 0.33775583 0 0.0788316 1 1
|
|
39100 0.34256036 0 0.075874935 1 1
|
|
39200 0.33128527 0 0.071610976 1 1
|
|
39300 0.34519653 0 0.046257301 1 1
|
|
39400 0.34351844 0 0.052422917 1 1
|
|
39500 0.35716037 0 0.048916058 1 1
|
|
39600 0.34000737 0 0.016149089 1 1
|
|
39700 0.34587892 0 0.021619621 1 1
|
|
39800 0.34878036 0 0.0092881327 1 1
|
|
39900 0.35225411 0 -0.011341599 1 1
|
|
40000 0.36309266 0 0.0050869295 1 1
|
|
Loop time of 1.97236 on 1 procs for 40000 steps with 361 atoms
|
|
|
|
Pair time (%) = 0.0681326 (3.45437)
|
|
Bond time (%) = 1.00542 (50.9752)
|
|
Neigh time (%) = 0.522411 (26.4866)
|
|
Comm time (%) = 0.0141277 (0.716285)
|
|
Outpt time (%) = 0.00296307 (0.150229)
|
|
Other time (%) = 0.359312 (18.2173)
|
|
|
|
Nlocal: 361 ave 361 max 361 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Nghost: 0 ave 0 max 0 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Neighs: 0 ave 0 max 0 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
|
|
Total # of neighbors = 0
|
|
Ave neighs/atom = 0
|
|
Ave special neighs/atom = 31.0249
|
|
Neighbor list builds = 3079
|
|
Dangerous builds = 0
|