297 lines
31 KiB
Plaintext
297 lines
31 KiB
Plaintext
LAMMPS (9 Sep 2013)
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# SRD diffusion demo - ellipsoids
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units lj
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atom_style ellipsoid
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atom_modify first big
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dimension 2
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# create big ellipsoidal particles
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lattice sq 0.14
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Lattice spacing in x,y,z = 2.67261 2.67261 2.67261
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region box block 0 10 0 10 -0.5 0.5
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create_box 2 box
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Created orthogonal box = (0 0 -1.33631) to (26.7261 26.7261 1.33631)
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4 by 2 by 1 MPI processor grid
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create_atoms 1 region box
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Created 100 atoms
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set type 1 mass 1.0
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100 settings made for mass
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set type 1 shape 3.0 1.0 1.0
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100 settings made for shape
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group big type 1
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100 atoms in group big
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set group big quat/random 29898
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100 settings made for quat/random
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velocity big create 1.44 87287 loop geom
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# equilibrate big particles
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pair_style gayberne 1.0 3.0 1.0 4.0
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pair_coeff 1 1 1.0 1.0 1 1 1 1 1 1
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pair_coeff 1 2 1.0 1.0 1 1 1 1 1 1 0.0
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pair_coeff 2 2 1.0 1.0 1 1 1 1 1 1 0.0
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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 big nve/asphere
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fix 2 all enforce2d
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compute rot big temp/asphere
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#dump 1 all custom 10 dump.ellipsoid.equil id type x y z # quatw quati quatj quatk
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thermo_style custom step temp c_rot epair etotal press
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thermo 100
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run 1000
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Memory usage per processor = 3.31955 Mbytes
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Step Temp rot E_pair TotEng Press
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0 1.44 0.95677852 2.7038078 4.1294078 10.518912
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100 2.5524145 2.801098 -0.37027046 2.1566199 0.84703874
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200 2.6266386 2.7938164 -0.35322565 2.2471465 1.004886
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300 2.9987557 2.9499545 -0.58917376 2.3795944 0.73081788
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400 2.8557446 2.8208128 -0.39904801 2.4281391 0.91808964
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500 2.4399047 2.8255746 -0.40056447 2.0149412 1.0538908
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600 2.854258 2.9166789 -0.53424483 2.2914706 0.8117508
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700 2.9593679 2.8231211 -0.40051715 2.5292571 1.1630889
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800 2.7632972 2.9060854 -0.52075353 2.2149107 0.77106777
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900 2.9905599 2.8869667 -0.49099384 2.4696604 0.6961683
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1000 2.8470141 2.9005014 -0.51282121 2.3057228 0.68817475
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Loop time of 0.0669988 on 8 procs for 1000 steps with 100 atoms
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Pair time (%) = 0.0335407 (50.0616)
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Neigh time (%) = 0.000552475 (0.824605)
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Comm time (%) = 0.0238523 (35.601)
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Outpt time (%) = 0.000291765 (0.435477)
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Other time (%) = 0.00876167 (13.0774)
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Nlocal: 12.5 ave 16 max 8 min
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Histogram: 1 1 0 0 0 3 0 0 1 2
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Nghost: 34.125 ave 42 max 28 min
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Histogram: 1 0 2 2 0 1 0 1 0 1
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Neighs: 46.125 ave 65 max 20 min
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Histogram: 1 0 1 0 1 2 0 0 1 2
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Total # of neighbors = 369
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Ave neighs/atom = 3.69
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Neighbor list builds = 174
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Dangerous builds = 0
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#undump 1
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unfix 1
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unfix 2
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# add small particles as hi density lattice
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region plane block INF INF INF INF -0.001 0.001 units box
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lattice sq 120.0
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Lattice spacing in x,y,z = 0.0912871 0.0912871 0.0912871
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create_atoms 2 region plane
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Created 85849 atoms
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set type 2 mass 0.01
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85849 settings made for mass
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group small type 2
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85849 atoms in group small
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velocity small create 1.0 593849 loop geom
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# delete overlaps
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# must set 1-2 cutoff to non-zero value
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pair_style lj/cut 2.5
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pair_coeff 1 1 1.0 1.0
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pair_coeff 2 2 0.0 1.0 0.0
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pair_coeff 1 2 0.0 1.0 2.0
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neigh_modify one 10000
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delete_atoms overlap 1.6 small big
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Deleted 71060 atoms, new total = 14889
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# SRD run
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reset_timestep 0
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neighbor 0.3 bin
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neigh_modify delay 0 every 1 check yes
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communicate multi group big vel yes
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neigh_modify include big
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# no pairwise interactions with small particles
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pair_style gayberne 1.0 3.0 1.0 4.0
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pair_coeff 1 1 1.0 1.0 1 1 1 1 1 1
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pair_coeff 1 2 1.0 1.0 1 1 1 1 1 1 0.0
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pair_coeff 2 2 1.0 1.0 1 1 1 1 1 1 0.0
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# use fix SRD to push small particles out from inside big ones
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# if comment out, big particles won't see SRD particles
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timestep 0.0005
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fix 1 big nve/asphere
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fix 2 small srd 20 big 1.0 0.25 49894 shift yes 54979 collision noslip search 0.2 inside ignore exact no bounce 50
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fix 3 all enforce2d
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# diagnostics
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compute tbig big temp/asphere
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variable pebig equal pe*atoms/count(big)
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variable ebig equal etotal*atoms/count(big)
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thermo_style custom step temp c_rot f_2[9] etotal v_pebig v_ebig press f_2[1] f_2[2] f_2[3] f_2[4] f_2[5] f_2[6] f_2[7] f_2[8] f_2[9] f_2[10] f_2[11] f_2[12]
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thermo_modify temp tbig
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WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:438)
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thermo 1000
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#dump 1 all custom 1000 dump.ellipsoid id type x y z # quatw quati quatj quatk
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#dump 1 all image 1000 image.*.jpg type type zoom 1.6
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#dump_modify 1 pad 6 adiam 1 1 adiam 2 0.2
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run 100000
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SRD info:
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SRD/big particles = 14789 100
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big particle diameter max/min = 3 1
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SRD temperature & lamda = 1 0.1
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SRD max distance & max velocity = 0.4 40
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SRD grid counts: 107 107 1
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SRD grid size: request, actual (xyz) = 0.25, 0.249777 0.249777 2.67261
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SRD per actual grid cell = 1.92757
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SRD viscosity = 0.688101
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big/SRD mass density ratio = 1.37367
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# of rescaled SRD velocities = 0
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ave/max small velocity = 13.3093 24.3359
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ave/max big velocity = 2.08028 5.05672
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Memory usage per processor = 10.6335 Mbytes
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Step Temp rot 2[9] TotEng pebig ebig Press 2[1] 2[2] 2[3] 2[4] 2[5] 2[6] 2[7] 2[8] 2[9] 2[10] 2[11] 2[12]
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0 2.9005014 2.9005014 0 0.025582147 -0.51282121 3.8089259 0.89862319 0 0 0 0 0 0 0 0 0 0 0 0
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1000 7.2956023 7.2956023 0.70834055 0.069462778 -0.52813454 10.342313 2.4874745 15029 48 347 0 273688 98040 11449 6477 0.70834055 1617 50 0
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2000 2.6238614 2.6238614 0.77744331 0.023078302 -0.47342524 3.4361283 1.6052231 16178 48 140 0 570264 98040 11449 6606 0.77744331 3196 50 0
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3000 2.5809048 2.5809048 0.79907961 0.021977265 -0.57335309 3.272195 1.4275294 17045 57 504 0 875574 98040 11449 6754 0.79907961 4880 50 0
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4000 2.4645688 2.4645688 0.82651268 0.02117525 -0.51942455 3.1527829 1.1962239 16911 40 359 0 1175091 98040 11449 6770 0.82651268 6476 50 0
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5000 2.1821901 2.1821901 0.87375488 0.017835105 -0.59599444 2.6554687 0.94017756 17423 58 457 0 1473017 98040 11449 6741 0.87375488 7940 50 0
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6000 2.7347088 2.7347088 0.88378922 0.023245561 -0.61368445 3.4610316 1.0797017 18277 49 406 0 1855806 98040 11449 6785 0.88378922 9982 50 0
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7000 2.1624381 2.1624381 0.84226 0.017452531 -0.62352539 2.5985074 0.9064477 18418 55 501 0 2250403 98040 11449 6796 0.84226 12248 50 0
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8000 2.163802 2.163802 0.84086821 0.01743543 -0.62810387 2.5959612 0.898377 18731 58 195 0 2609864 98040 11449 6794 0.84086821 14239 50 0
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9000 2.4291028 2.4291028 0.881112 0.020152652 -0.61883485 3.0005284 0.87126187 17990 68 337 0 2980316 98040 11449 6785 0.881112 16375 50 0
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10000 2.2008575 2.2008575 0.86610163 0.017451237 -0.68096305 2.5983146 0.68079667 18267 55 431 0 3322267 98040 11449 6763 0.86610163 18267 50 0
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11000 3.1766901 3.1766901 0.87045337 0.027784703 -0.59640382 4.1368645 0.93469755 19172 73 636 0 3750755 98040 11449 6741 0.87045337 20726 50 0
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12000 2.1793161 2.1793161 0.86215133 0.017596582 -0.62722581 2.6199551 0.67697989 19057 69 342 0 4157139 98040 11449 6802 0.86215133 22806 50 0
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13000 4.0153206 4.0153206 0.90625671 0.038303439 -0.27982855 5.7029991 1.687034 19515 67 552 0 4624013 98040 11449 6717 0.90625671 25436 50 0
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14000 3.170604 3.170604 0.87343798 0.028601343 -0.46574612 4.2584539 1.2191953 19102 56 503 0 5018844 98040 11449 6704 0.87343798 27565 50 0
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15000 2.1598654 2.1598654 0.88571342 0.018928735 -0.39990012 2.8182993 1.2133794 19040 60 656 0 5403568 98040 11449 6800 0.88571342 29588 50 0
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16000 3.2148501 3.2148501 0.92374454 0.02852773 -0.54263291 4.2474937 0.95828981 18827 69 620 0 5805269 98040 11449 6851 0.92374454 31671 50 0
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17000 1.689719 1.689719 0.91145995 0.013016738 -0.57961912 1.9380621 0.80015733 18555 61 627 0 6238805 98040 11449 6762 0.91145995 34131 50 0
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18000 2.2363963 2.2363963 0.93262821 0.018332423 -0.60271598 2.7295145 0.98475808 18594 55 522 0 6718450 98040 11449 6784 0.93262821 36725 50 0
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19000 7.6028995 7.6028995 0.93864136 0.074005938 -0.30957605 11.018744 2.9474333 19675 93 1082 0 7229509 98040 11449 6515 0.93864136 39724 50 0
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20000 7.2192143 7.2192143 0.88957525 0.069357409 -0.43000462 10.326625 2.4966484 19158 65 394 0 7789183 98040 11449 6651 0.88957525 42820 50 0
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21000 4.5330204 4.5330204 0.86613007 0.042675657 -0.40022184 6.3539786 1.4658773 18943 52 155 0 8252829 98040 11449 6764 0.86613007 45182 50 0
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22000 2.8518378 2.8518378 0.84167594 0.025693384 -0.4237503 3.825488 1.0516739 19085 57 407 0 8608296 98040 11449 6825 0.84167594 47111 50 0
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23000 2.7181316 2.7181316 0.88923978 0.023577992 -0.53948886 3.5105272 0.82845541 18824 58 421 0 8995890 98040 11449 6748 0.88923978 49148 50 0
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24000 2.0835932 2.0835932 0.84026764 0.017047902 -0.56629177 2.5382621 0.74654075 18971 60 277 0 9341011 98040 11449 6757 0.84026764 50947 50 0
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25000 2.2109657 2.2109657 0.83305834 0.018511323 -0.53818793 2.756151 0.93069051 18531 44 277 0 9628824 98040 11449 6760 0.83305834 52412 50 0
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26000 2.5537486 2.5537486 0.84881291 0.023243574 -0.34434968 3.4607357 1.3058386 18725 55 149 0 9984117 98040 11449 6746 0.84881291 54360 50 0
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27000 2.0881562 2.0881562 0.81387145 0.017094925 -0.56608945 2.5452634 0.61664377 19345 64 157 0 10340914 98040 11449 6813 0.81387145 56350 50 0
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28000 1.9836851 1.9836851 0.84227025 0.01744767 -0.35790721 2.5977835 1.0180779 19613 57 382 0 10655060 98040 11449 6780 0.84227025 57994 50 0
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29000 1.9842246 1.9842246 0.82288658 0.017193445 -0.39656262 2.559932 1.036828 19128 57 148 0 10976578 98040 11449 6815 0.82288658 59591 50 0
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30000 4.3538432 4.3538432 0.86941094 0.043439035 -0.019588435 6.4676379 2.5038101 18862 50 406 0 11313222 98040 11449 6725 0.86941094 61467 50 0
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31000 6.6481395 6.6481395 0.86286769 0.063829591 -0.40214003 9.5035878 2.0941534 19213 67 648 0 11697823 98040 11449 6840 0.86286769 63380 50 0
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32000 2.6712732 2.6712732 0.86495327 0.025802035 -0.13853198 3.841665 1.5918499 19672 74 267 0 12044541 98040 11449 6788 0.86495327 65225 50 0
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33000 2.2525644 2.2525644 0.89687596 0.019829466 -0.40391176 2.9524092 1.1393318 19571 54 371 0 12448516 98040 11449 6763 0.89687596 67314 50 0
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34000 2.0174254 2.0174254 0.85159248 0.016836474 -0.49918117 2.5067827 0.61040005 19322 44 314 0 12826260 98040 11449 6777 0.85159248 69403 50 0
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35000 2.0636577 2.0636577 0.84737021 0.017487894 -0.47107738 2.6037726 0.9372094 19352 71 496 0 13218452 98040 11449 6847 0.84737021 71447 50 0
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36000 1.9578117 1.9578117 0.86352344 0.016804797 -0.41507332 2.5020662 0.78629324 19226 64 294 0 13618568 98040 11449 6818 0.86352344 73705 50 0
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37000 2.7216885 2.7216885 0.89497296 0.02408761 -0.46891159 3.5864043 0.84261741 19922 68 667 0 13956945 98040 11449 6751 0.89497296 75650 50 0
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38000 2.9132431 2.9132431 0.85774007 0.025736568 -0.5088146 3.8319176 0.92509444 19512 65 459 0 14315919 98040 11449 6785 0.85774007 77596 50 0
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39000 3.0646912 3.0646912 0.8862362 0.027495613 -0.47256811 4.0938218 1.1093068 19563 61 449 0 14688150 98040 11449 6782 0.8862362 79855 50 0
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40000 2.2020194 2.2020194 0.86883352 0.019197745 -0.42265669 2.8583523 0.98753706 19119 55 371 0 15084880 98040 11449 6816 0.86883352 82202 50 0
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41000 6.0976172 6.0976172 0.88377361 0.057628632 -0.5051227 8.580327 1.3963064 19079 65 306 0 15447216 98040 11449 6818 0.88377361 84366 50 0
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42000 1.9083892 1.9083892 0.88516585 0.01531336 -0.5634938 2.2800062 0.47914635 18935 61 275 0 15853289 98040 11449 6802 0.88516585 86713 50 0
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43000 1.7542467 1.7542467 0.90554851 0.015254716 -0.34255301 2.2712746 1.0497057 19154 64 304 0 16324953 98040 11449 6786 0.90554851 89455 50 0
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44000 2.2479548 2.2479548 0.91641099 0.019654899 -0.42303473 2.9264179 0.91746265 18945 74 571 0 16758611 98040 11449 6783 0.91641099 92090 50 0
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45000 2.1158512 2.1158512 0.91293716 0.018206737 -0.44181723 2.7108011 0.99334995 19184 61 485 0 17221151 98040 11449 6779 0.91293716 94841 50 0
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46000 2.0152012 2.0152012 0.89835135 0.016867945 -0.49118143 2.5114683 0.66818297 19378 58 360 0 17710361 98040 11449 6789 0.89835135 97688 50 0
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47000 2.5657032 2.5657032 0.90990935 0.021675185 -0.59567945 3.2272184 0.69894508 19451 66 427 0 18120146 98040 11449 6792 0.90990935 100021 50 0
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48000 1.8478297 1.8478297 0.91589497 0.014167966 -0.64379773 2.1094685 0.49211287 19543 68 382 0 18534853 98040 11449 6815 0.91589497 102312 50 0
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49000 2.4541697 2.4541697 0.90253297 0.022481005 -0.30951614 3.3471968 1.2611223 19472 56 286 0 18999871 98040 11449 6775 0.90253297 105133 50 0
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50000 2.3302118 2.3302118 0.89753747 0.020434678 -0.42949642 3.0425192 0.99789859 19313 67 581 0 19470693 98040 11449 6760 0.89753747 107732 50 0
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51000 1.9622255 1.9622255 0.94038395 0.016081535 -0.52933612 2.3943798 0.76520959 19556 63 598 0 19952485 98040 11449 6767 0.94038395 110585 50 0
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52000 2.0649042 2.0649042 0.90596725 0.017450187 -0.47854892 2.5981584 0.70025754 19363 47 393 0 20407302 98040 11449 6832 0.90596725 113294 50 0
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53000 1.7438902 1.7438902 0.92620113 0.014870808 -0.38428182 2.2141146 0.97045847 19199 50 320 0 20833593 98040 11449 6775 0.92620113 115753 50 0
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54000 2.4133126 2.4133126 0.91091821 0.023458785 -0.10305736 3.4927785 1.5340967 18894 60 295 0 21304132 98040 11449 6765 0.91091821 118526 50 0
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55000 2.2079351 2.2079351 0.89049352 0.019281645 -0.41897921 2.8708441 0.96570508 19047 54 377 0 21797810 98040 11449 6775 0.89049352 121460 50 0
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56000 2.1479887 2.1479887 0.89773595 0.018643072 -0.42473615 2.7757671 0.87853659 19064 54 363 0 22220051 98040 11449 6788 0.89773595 123820 50 0
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57000 2.5642675 2.5642675 0.88789613 0.023095645 -0.38204805 3.4387105 1.0057392 19304 77 395 0 22692743 98040 11449 6744 0.88789613 126497 50 0
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58000 3.7514362 3.7514362 0.85798081 0.035436484 -0.31350184 5.2761381 1.381171 19437 57 286 0 23100326 98040 11449 6788 0.85798081 128811 50 0
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59000 2.51444 2.51444 0.8979786 0.021651184 -0.52287077 3.2236448 0.77486862 19210 56 456 0 23467741 98040 11449 6766 0.8979786 131067 50 0
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60000 1.8163765 1.8163765 0.88037429 0.015000644 -0.4729551 2.2334459 0.73205061 19529 59 557 0 23864523 98040 11449 6808 0.88037429 133293 50 0
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61000 2.4385228 2.4385228 0.92121921 0.021765486 -0.39273586 3.2406631 1.0539662 19549 57 244 0 24304886 98040 11449 6789 0.92121921 135871 50 0
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62000 1.9552803 1.9552803 0.88498431 0.016067216 -0.52111994 2.3922478 0.78048821 19880 70 348 0 24725026 98040 11449 6777 0.88498431 138244 50 0
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63000 2.0485261 2.0485261 0.88137975 0.017772947 -0.40608982 2.6462141 0.81935985 19703 64 657 0 25146891 98040 11449 6795 0.88137975 140482 50 0
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64000 5.6433836 5.6433836 0.90468317 0.053600869 -0.42800818 7.9806333 1.7881383 19539 70 628 0 25566274 98040 11449 6709 0.90468317 142990 50 0
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65000 2.3294568 2.3294568 0.89455359 0.019432082 -0.57764791 2.8932427 0.82070889 19093 52 371 0 25984888 98040 11449 6763 0.89455359 145397 50 0
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66000 2.2413888 2.2413888 0.89280517 0.019499997 -0.43631477 2.9033546 1.0155381 18850 57 417 0 26391227 98040 11449 6815 0.89280517 147627 50 0
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67000 2.6544972 2.6544972 0.8630596 0.022892283 -0.5467689 3.408432 0.9203384 18921 49 226 0 26756243 98040 11449 6723 0.8630596 149679 50 0
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68000 2.176732 2.176732 0.89394188 0.01818266 -0.53611435 2.7072163 0.9195041 19030 61 652 0 27141492 98040 11449 6844 0.89394188 151897 50 0
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69000 2.0161273 2.0161273 0.88130839 0.016605036 -0.53170586 2.4723238 0.92131775 19182 66 650 0 27576227 98040 11449 6733 0.88130839 154351 50 0
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|
70000 3.0377466 3.0377466 0.89771966 0.027971517 -0.36156324 4.1646792 1.3934191 18997 51 234 0 28008747 98040 11449 6746 0.89771966 156777 50 0
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|
71000 3.1795524 3.1795524 0.8947838 0.028420307 -0.50603352 4.2314995 1.0722874 19618 55 490 0 28443736 98040 11449 6771 0.8947838 159142 50 0
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|
72000 3.5426182 3.5426182 0.83954036 0.033941731 -0.22491678 5.0535844 1.6042774 19563 55 275 0 28881070 98040 11449 6797 0.83954036 161794 50 0
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|
73000 2.2968425 2.2968425 0.86015879 0.02077218 -0.32952534 3.0927699 1.1404746 19485 70 451 0 29260883 98040 11449 6802 0.86015879 164068 50 0
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|
74000 2.188706 2.188706 0.9280661 0.019084686 -0.41965301 2.8415189 0.78604118 19541 50 92 0 29685043 98040 11449 6781 0.9280661 166584 50 0
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|
75000 1.7274084 1.7274084 0.92459156 0.01379811 -0.51943796 2.0544006 0.61217133 19550 53 316 0 30053826 98040 11449 6808 0.92459156 168827 50 0
|
|
76000 2.4210213 2.4210213 0.89819013 0.021426261 -0.41716573 3.190156 1.1110363 19438 59 425 0 30497237 98040 11449 6804 0.89819013 171460 50 0
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|
77000 2.9878983 2.9878983 0.87463276 0.026030055 -0.5763537 3.8756148 0.8157204 19032 80 644 0 31000714 98040 11449 6755 0.87463276 174332 50 0
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|
78000 2.3345289 2.3345289 0.90593483 0.019783234 -0.53292232 2.9455257 0.85832222 18950 68 654 0 31435875 98040 11449 6791 0.90593483 176899 50 0
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|
79000 2.2705803 2.2705803 0.88397994 0.019430253 -0.49019424 2.8929703 0.86369694 18773 65 405 0 31880831 98040 11449 6739 0.88397994 179525 50 0
|
|
80000 4.6907116 4.6907116 0.87251492 0.045231772 -0.2546018 6.7345585 1.9476158 19100 56 373 0 32309541 98040 11449 6783 0.87251492 181794 50 0
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|
81000 1.8511722 1.8511722 0.8626409 0.015075899 -0.51359597 2.2446506 0.58639182 18989 68 680 0 32724195 98040 11449 6807 0.8626409 184002 50 0
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|
82000 2.5791982 2.5791982 0.86974688 0.023153218 -0.3957227 3.4472827 0.987724 19449 58 770 0 33133450 98040 11449 6768 0.86974688 186208 50 0
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|
83000 1.7152161 1.7152161 0.87892802 0.013862381 -0.49170213 2.0639699 0.68749667 19349 58 385 0 33584010 98040 11449 6760 0.87892802 188626 50 0
|
|
84000 2.3488628 2.3488628 0.86203202 0.020814344 -0.40075798 3.0990477 0.92218361 19294 52 374 0 33968768 98040 11449 6763 0.86203202 190822 50 0
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|
85000 2.116465 2.116465 0.84998598 0.018023607 -0.46999805 2.6835348 0.7339385 19382 64 561 0 34335861 98040 11449 6778 0.84998598 192856 50 0
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|
86000 4.4975609 4.4975609 0.89396825 0.042207794 -0.41704734 6.2843185 1.5378572 19958 56 298 0 34732431 98040 11449 6701 0.89396825 195077 50 0
|
|
87000 2.6889768 2.6889768 0.86307648 0.02336651 -0.52753572 3.4790397 0.81754047 19936 57 641 0 35098414 98040 11449 6685 0.86307648 197104 50 0
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|
88000 3.9319704 3.9319704 0.85779056 0.036230526 -0.46427285 5.394363 1.2276207 19788 46 182 0 35443091 98040 11449 6771 0.85779056 198936 50 0
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|
89000 2.0653279 2.0653279 0.84504363 0.018343471 -0.3461792 2.7311593 1.0869811 19427 54 493 0 35777362 98040 11449 6798 0.84504363 200863 50 0
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|
90000 4.8706166 4.8706166 0.86365369 0.045810202 -0.4365378 6.820681 1.4919543 19259 53 211 0 36161042 98040 11449 6791 0.86365369 203020 50 0
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|
91000 2.2396034 2.2396034 0.8827157 0.019338006 -0.4577734 2.8792357 1.0068781 19474 69 343 0 36570010 98040 11449 6780 0.8827157 205151 50 0
|
|
92000 2.2950736 2.2950736 0.86370947 0.019380548 -0.53408981 2.8855698 0.81686894 19200 66 385 0 36941725 98040 11449 6784 0.86370947 207169 50 0
|
|
93000 2.8399649 2.8399649 0.86702804 0.025344222 -0.45804639 3.7735012 1.142371 18909 64 419 0 37350382 98040 11449 6827 0.86702804 209476 50 0
|
|
94000 2.0861949 2.0861949 0.87330649 0.01715277 -0.55455457 2.5538759 0.73150124 18803 66 511 0 37691022 98040 11449 6775 0.87330649 211354 50 0
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|
95000 1.7673295 1.7673295 0.86863959 0.014315467 -0.50189106 2.1314299 0.73528684 18733 59 421 0 38033894 98040 11449 6761 0.86863959 213229 50 0
|
|
96000 2.3535506 2.3535506 0.85445343 0.019960525 -0.53486773 2.9719226 0.66615354 19029 55 396 0 38382273 98040 11449 6802 0.85445343 215176 50 0
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|
97000 1.7008253 1.7008253 0.86268511 0.01373487 -0.48924484 2.0449848 0.78353064 19312 64 534 0 38766210 98040 11449 6794 0.86268511 217390 50 0
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|
98000 2.1153875 2.1153875 0.88353399 0.019971062 -0.17843601 2.9734914 1.5344523 19479 57 559 0 39171672 98040 11449 6751 0.88353399 219740 50 0
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|
99000 2.8415756 2.8415756 0.90324577 0.026409052 -0.30190393 3.9320437 1.5281054 19309 72 293 0 39584437 98040 11449 6746 0.90324577 222154 50 0
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|
100000 9.0513641 9.0513641 0.85723531 0.087635776 -0.43844176 13.048091 2.4804268 19511 68 324 0 39976323 98040 11449 6832 0.85723531 224404 50 0
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Loop time of 29.7394 on 8 procs for 100000 steps with 14889 atoms
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Pair time (%) = 3.66754 (12.3322)
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Neigh time (%) = 2.04132 (6.864)
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Comm time (%) = 2.88159 (9.68944)
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Outpt time (%) = 0.00693083 (0.0233052)
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Other time (%) = 21.1421 (71.091)
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Nlocal: 1861.12 ave 2131 max 1746 min
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Histogram: 4 0 1 0 1 1 0 0 0 1
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Nghost: 34.375 ave 37 max 31 min
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Histogram: 1 1 0 1 0 1 1 0 1 2
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Neighs: 45.875 ave 53 max 40 min
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Histogram: 2 0 0 2 1 1 0 0 0 2
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Total # of neighbors = 367
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Ave neighs/atom = 0.0246491
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Neighbor list builds = 5247
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Dangerous builds = 0
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Please see the log.cite file for references relevant to this simulation
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