551 lines
40 KiB
Groff
551 lines
40 KiB
Groff
LAMMPS (3 Aug 2023 - Development - patch_2Aug2023-790-g0fbe388cbd)
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OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
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using 1 OpenMP thread(s) per MPI task
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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 = 1.1655347 2.0187654 1.1655347
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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 -0.58276737) to (58.276737 40.375308 0.58276737)
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2 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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using lattice units in orthogonal box = (0 0 -0.58276737) to (58.276737 40.375308 0.58276737)
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create_atoms CPU = 0.001 seconds
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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 many all all 1 1.0 1.5
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Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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Neighbor list info ...
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update: every = 1 steps, delay = 0 steps, check = yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 2.8
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ghost atom cutoff = 2.8
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binsize = 1.4, bins = 42 29 1
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2 neighbor lists, perpetual/occasional/extra = 1 1 0
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(1) command create_bonds, occasional
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attributes: full, newton on
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pair build: full/bin
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stencil: full/bin/2d
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bin: standard
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(2) pair lj/cut, perpetual
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attributes: half, newton on
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pair build: half/bin/newton
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stencil: half/bin/2d
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bin: standard
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Added 1014 bonds, new total = 1014
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Finding 1-2 1-3 1-4 neighbors ...
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special bond factors lj: 0 0 0
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special bond factors coul: 0 0 0
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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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special bonds CPU = 0.002 seconds
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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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timestep 0.001
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run 40000
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Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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Neighbor list info ...
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update: every = 1 steps, delay = 0 steps, check = yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 2.8
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ghost atom cutoff = 2.8
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binsize = 1.4, bins = 42 29 1
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1 neighbor lists, perpetual/occasional/extra = 1 0 0
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(1) pair lj/cut, perpetual
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attributes: half, newton on
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pair build: half/bin/newton
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stencil: half/bin/2d
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bin: standard
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Per MPI rank memory allocation (min/avg/max) = 7.08 | 7.108 | 7.137 Mbytes
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Step Temp E_pair Press f_10[3] f_10
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0 0.57437856 0 0.26099453 2 1.0193906
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100 0.36302846 0 0.17339851 1.0027701 1.0027701
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200 0.19645077 0 0.087800915 1.0027701 1.0027701
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300 0.32061117 0 0.11295723 1.0027701 1.0027701
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400 0.32854136 0 0.11325585 1.0027701 1.0027701
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500 0.29754179 0 0.10150632 1.0083102 1.0027701
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600 0.37384867 0 0.11949784 1.0027701 1.0027701
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700 0.33202319 0 0.092871339 1.0027701 1.0083102
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800 0.28340637 0 0.065861565 1.0027701 1.0027701
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900 0.36250157 0 0.085896287 1.0083102 1.0027701
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1000 0.35402718 0 0.07519914 1.0027701 1.0083102
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1100 0.31576357 0 0.050253636 1.0083102 1.0027701
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1200 0.35727572 0 0.05153538 1.0027701 1.0027701
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1300 0.34322607 0 0.036115722 1.0027701 1.0027701
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1400 0.34007557 0 0.025378602 1.0027701 1.0083102
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1500 0.39242551 0 0.033002212 1.0027701 1.0027701
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1600 0.35679049 0 0.010101576 1.0027701 1.0027701
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1700 0.31293001 0 -0.013791036 1.0027701 1.0027701
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1800 0.34767962 0 -0.0065490806 1.0027701 1.0027701
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1900 0.34721592 0 -0.010055082 1.0027701 1.0083102
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2000 0.34074949 0 -0.020822697 1.0027701 1.0027701
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2100 0.37195615 0 -0.024943134 1.0027701 1.0027701
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2200 0.35367164 0 -0.047369336 1.0027701 1.0027701
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2300 0.32088735 0 -0.069724381 1.0027701 1.0027701
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2400 0.34291945 0 -0.065470223 1.0027701 1.0027701
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2500 0.35204641 0 -0.062631879 1.0027701 1.0027701
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2600 0.32762755 0 -0.075128824 1.0027701 1.0083102
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2700 0.32042617 0 -0.086259498 1.0083102 1.0027701
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2800 0.32747171 0 -0.094775765 1.0027701 1.0027701
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2900 0.33544664 0 -0.10376048 1.0027701 1.0027701
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3000 0.34015845 0 -0.1112134 1.0083102 1.0027701
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3100 0.34425802 0 -0.11413914 1.0027701 1.0083102
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3200 0.34158654 0 -0.1164643 1.0027701 1.0027701
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3300 0.32525955 0 -0.12206636 1.0027701 1.0083102
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3400 0.32183965 0 -0.12186353 1.0083102 1.0027701
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3500 0.3323435 0 -0.11597815 1.0027701 1.0027701
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3600 0.34124638 0 -0.11177335 1.0083102 1.0083102
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3700 0.3404339 0 -0.11235575 1.0027701 1.0027701
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3800 0.32736123 0 -0.11610108 1.0027701 1.0027701
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3900 0.32897993 0 -0.11138151 1.0027701 1.0027701
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4000 0.35111095 0 -0.096171644 1.0083102 1.0027701
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4100 0.34682622 0 -0.087507472 1.0027701 1.0027701
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4200 0.3307829 0 -0.079759555 1.0027701 1.0027701
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4300 0.35057085 0 -0.055194355 1.0027701 1.0027701
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4400 0.36389071 0 -0.02963313 1.0027701 1.0083102
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4500 0.35694456 0 -0.013842583 1.0027701 1.0027701
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4600 0.3472078 0 -0.0048118723 1.0083102 1.0027701
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4700 0.31734514 0 -0.0032417081 1.0027701 1.0027701
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4800 0.32419237 0 0.01409306 1.0027701 1.0027701
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4900 0.36939799 0 0.045351789 1.0027701 1.0083102
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5000 0.36998276 0 0.056830437 1.0027701 1.0027701
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5100 0.33969031 0 0.051833536 1.0027701 1.0027701
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5200 0.33910288 0 0.055544085 1.0027701 1.0027701
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5300 0.34641009 0 0.0651487 1.0027701 1.0027701
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5400 0.34469325 0 0.074538093 1.0027701 1.0027701
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5500 0.34582041 0 0.084940845 1.0027701 1.0027701
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5600 0.33471774 0 0.090102411 1.0027701 1.0083102
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5700 0.32667873 0 0.09528948 1.0083102 1.0027701
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5800 0.33762496 0 0.10545364 1.0027701 1.0027701
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5900 0.33285742 0 0.10816506 1.0027701 1.0027701
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6000 0.31920877 0 0.10547467 1.0027701 1.0027701
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6100 0.31933081 0 0.10610684 1.0027701 1.0027701
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6200 0.3152523 0 0.10651599 1.0083102 1.0083102
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6300 0.32548074 0 0.11405234 1.0027701 1.0027701
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6400 0.33851595 0 0.12389967 1.0027701 1.0027701
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6500 0.32957825 0 0.12493331 1.0027701 1.0027701
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6600 0.32319786 0 0.12404318 1.0027701 1.0027701
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6700 0.3223738 0 0.12418108 1.0083102 1.0027701
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6800 0.32390959 0 0.12576314 1.0027701 1.0027701
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6900 0.34414413 0 0.1318456 1.0027701 1.0027701
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7000 0.34508922 0 0.12669741 1.0027701 1.0083102
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7100 0.31655025 0 0.10869109 1.0027701 1.0027701
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7200 0.31997193 0 0.10305508 1.0027701 1.0027701
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7300 0.33199085 0 0.10377052 1.0027701 1.0027701
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7400 0.32146221 0 0.097589803 1.0027701 1.0027701
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7500 0.33416843 0 0.096202638 1.0027701 1.0027701
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7600 0.35297124 0 0.092441999 1.0027701 1.0027701
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7700 0.34494663 0 0.075206332 1.0027701 1.0027701
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7800 0.34010702 0 0.056336074 1.0083102 1.0027701
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7900 0.343424 0 0.040946914 1.0027701 1.0027701
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8000 0.33772245 0 0.025817271 1.0027701 1.0027701
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8100 0.34463909 0 0.017237548 1.0083102 1.0083102
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8200 0.36052034 0 0.010393623 1.0027701 1.0027701
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8300 0.36083091 0 -0.0053933186 1.0027701 1.0027701
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8400 0.35378067 0 -0.02600248 1.0027701 1.0027701
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8500 0.35133887 0 -0.044211483 1.0027701 1.0027701
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8600 0.34559937 0 -0.060861345 1.0027701 1.0027701
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8700 0.33724119 0 -0.075776058 1.0027701 1.0027701
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8800 0.33337192 0 -0.087098937 1.0027701 1.0027701
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8900 0.33533081 0 -0.094631485 1.0027701 1.0083102
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9000 0.34994303 0 -0.096758052 1.0083102 1.0083102
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9100 0.34448227 0 -0.10330192 1.0083102 1.0083102
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9200 0.32675792 0 -0.11000278 1.0083102 1.0083102
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9300 0.33814013 0 -0.10358181 1.0027701 1.0027701
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9400 0.34457419 0 -0.096896951 1.0027701 1.0027701
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9500 0.33834959 0 -0.09547729 1.0027701 1.0027701
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9600 0.33204582 0 -0.097694622 1.0027701 1.0027701
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9700 0.31152805 0 -0.10637377 1.0083102 1.0027701
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9800 0.31637311 0 -0.1053323 1.0027701 1.0027701
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9900 0.33416162 0 -0.097857158 1.0027701 1.0083102
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10000 0.33731767 0 -0.094656227 1.0027701 1.0027701
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10100 0.34565093 0 -0.090199556 1.0083102 1.0083102
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10200 0.34549074 0 -0.088914471 1.0083102 1.0027701
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10300 0.33545625 0 -0.09066219 1.0027701 1.0083102
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10400 0.33649703 0 -0.086437886 1.0027701 1.0027701
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10500 0.34549848 0 -0.0767365 1.0027701 1.0027701
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10600 0.34222917 0 -0.069368792 1.0027701 1.0027701
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10700 0.34262469 0 -0.060550996 1.0027701 1.0027701
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10800 0.34859129 0 -0.050692625 1.0027701 1.0027701
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10900 0.34850448 0 -0.043627505 1.0027701 1.0027701
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11000 0.34887257 0 -0.036859125 1.0027701 1.0083102
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11100 0.34171718 0 -0.032690742 1.0083102 1.0027701
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11200 0.329808 0 -0.02793377 1.0027701 1.0027701
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11300 0.34490203 0 -0.010278222 1.0027701 1.0027701
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11400 0.36226391 0 0.010141624 1.0027701 1.0083102
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11500 0.35392138 0 0.021188939 1.0027701 1.0027701
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11600 0.34378732 0 0.031423313 1.0083102 1.0083102
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11700 0.33606385 0 0.043944374 1.0083102 1.0027701
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11800 0.33212482 0 0.058629338 1.0027701 1.0027701
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11900 0.34547313 0 0.078112959 1.0027701 1.0083102
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12000 0.34840957 0 0.092356502 1.0083102 1.0027701
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12100 0.34146853 0 0.10236492 1.0027701 1.0027701
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12200 0.34591494 0 0.11620659 1.0027701 1.0027701
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12300 0.33290894 0 0.12437245 1.0027701 1.0027701
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12400 0.32423652 0 0.13191976 1.0083102 1.0083102
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12500 0.33031748 0 0.13999363 1.0083102 1.0083102
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12600 0.31927087 0 0.13776242 1.0083102 1.0027701
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12700 0.30865965 0 0.13340787 1.0027701 1.0027701
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12800 0.32542691 0 0.13690449 1.0027701 1.0083102
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12900 0.32453244 0 0.13376127 1.0027701 1.0027701
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13000 0.30974678 0 0.12749869 1.0027701 1.0027701
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13100 0.32402285 0 0.13240572 1.0027701 1.0083102
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13200 0.32896987 0 0.13257567 1.0083102 1.0027701
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13300 0.32939197 0 0.12690791 1.0027701 1.0027701
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13400 0.33966453 0 0.12036916 1.0027701 1.0027701
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13500 0.33012942 0 0.10496127 1.0027701 1.0027701
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13600 0.32363377 0 0.091763332 1.0083102 1.0083102
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13700 0.33427955 0 0.087928243 1.0027701 1.0027701
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13800 0.33457885 0 0.08191828 1.0027701 1.0027701
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13900 0.33819924 0 0.074487337 1.0027701 1.0027701
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14000 0.34611002 0 0.066256529 1.0083102 1.0027701
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14100 0.33224254 0 0.052608223 1.0027701 1.0027701
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14200 0.33796934 0 0.049677792 1.0027701 1.0027701
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14300 0.36216731 0 0.055173039 1.0027701 1.0083102
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14400 0.35140789 0 0.047322221 1.0027701 1.0027701
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14500 0.34425046 0 0.036527245 1.0027701 1.0083102
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14600 0.3604575 0 0.0294772 1.0083102 1.0083102
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14700 0.3433878 0 0.0096774422 1.0083102 1.0083102
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14800 0.3287069 0 -0.0079768782 1.0027701 1.0027701
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14900 0.34978607 0 -0.01178453 1.0027701 1.0027701
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15000 0.34749548 0 -0.023685074 1.0027701 1.0027701
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15100 0.33474304 0 -0.040569945 1.0027701 1.0027701
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15200 0.35036594 0 -0.048341599 1.0027701 1.0027701
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15300 0.35686042 0 -0.058664905 1.0027701 1.0027701
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15400 0.34041567 0 -0.074858327 1.0027701 1.0027701
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15500 0.33397773 0 -0.083782088 1.0027701 1.0027701
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15600 0.3420119 0 -0.084635487 1.0083102 1.0027701
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15700 0.345487 0 -0.088137628 1.0027701 1.0027701
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15800 0.33494392 0 -0.10083064 1.0027701 1.0027701
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15900 0.32675175 0 -0.11620387 1.0027701 1.0027701
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16000 0.33011636 0 -0.12713401 1.0027701 1.0027701
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16100 0.32443118 0 -0.13685913 1.0027701 1.0027701
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16200 0.31608392 0 -0.14164152 1.0027701 1.0083102
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16300 0.33293965 0 -0.13335387 1.0027701 1.0027701
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16400 0.34462807 0 -0.12471686 1.0027701 1.0027701
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16500 0.33528082 0 -0.12211554 1.0027701 1.0027701
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16600 0.34250121 0 -0.11228169 1.0027701 1.0027701
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16700 0.35342336 0 -0.099226948 1.0027701 1.0027701
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16800 0.33730938 0 -0.093581966 1.0027701 1.0027701
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16900 0.3275761 0 -0.085163356 1.0027701 1.0027701
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17000 0.33624873 0 -0.070896594 1.0083102 1.0027701
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17100 0.34339177 0 -0.057731935 1.0027701 1.0027701
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17200 0.34874414 0 -0.046575228 1.0027701 1.0027701
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17300 0.33950911 0 -0.041862179 1.0027701 1.0027701
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17400 0.33100286 0 -0.036618199 1.0027701 1.0027701
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17500 0.34238095 0 -0.021681436 1.0027701 1.0027701
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17600 0.35476614 0 -0.0032568304 1.0027701 1.0027701
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17700 0.35452053 0 0.011863966 1.0027701 1.0027701
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17800 0.35423934 0 0.024753043 1.0083102 1.0027701
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17900 0.35001044 0 0.031647802 1.0083102 1.0083102
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18000 0.32867773 0 0.030261102 1.0027701 1.0027701
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18100 0.32730114 0 0.037627319 1.0027701 1.0027701
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18200 0.35786038 0 0.057653258 1.0027701 1.0027701
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18300 0.35598175 0 0.065533711 1.0027701 1.0027701
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18400 0.33913202 0 0.066186406 1.0027701 1.0027701
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18500 0.34449656 0 0.074575322 1.0027701 1.0027701
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18600 0.34792041 0 0.083818651 1.0027701 1.0027701
|
|
18700 0.33910599 0 0.089751723 1.0027701 1.0027701
|
|
18800 0.33627789 0 0.097491916 1.0027701 1.0083102
|
|
18900 0.32937699 0 0.10350872 1.0083102 1.0027701
|
|
19000 0.30908702 0 0.10610099 1.0027701 1.0027701
|
|
19100 0.31033435 0 0.1168178 1.0027701 1.0027701
|
|
19200 0.32011336 0 0.12898885 1.0027701 1.0027701
|
|
19300 0.31851339 0 0.13398981 1.0027701 1.0027701
|
|
19400 0.33289985 0 0.1401039 1.0027701 1.0027701
|
|
19500 0.3387096 0 0.13971063 1.0027701 1.0027701
|
|
19600 0.31475734 0 0.12963499 1.0027701 1.0083102
|
|
19700 0.31971554 0 0.13189606 1.0083102 1.0083102
|
|
19800 0.33096999 0 0.13636987 1.0083102 1.0027701
|
|
19900 0.31601688 0 0.12889803 1.0027701 1.0027701
|
|
20000 0.32916469 0 0.12683491 1.0027701 1.0027701
|
|
20100 0.34355734 0 0.12251501 1.0027701 1.0027701
|
|
20200 0.33029721 0 0.10833335 1.0083102 1.0027701
|
|
20300 0.34079176 0 0.10305862 1.0027701 1.0027701
|
|
20400 0.35196716 0 0.098386494 1.0027701 1.0027701
|
|
20500 0.32687648 0 0.081202778 1.0083102 1.0027701
|
|
20600 0.33371658 0 0.074287923 1.0027701 1.0083102
|
|
20700 0.36625228 0 0.073768436 1.0083102 1.0027701
|
|
20800 0.35824217 0 0.054876358 1.0027701 1.0027701
|
|
20900 0.34861601 0 0.031603534 1.0027701 1.0027701
|
|
21000 0.35396698 0 0.013464537 1.0027701 1.0027701
|
|
21100 0.33592449 0 -0.0096173026 1.0027701 1.0027701
|
|
21200 0.327063 0 -0.025970252 1.0027701 1.0027701
|
|
21300 0.34418745 0 -0.030446162 1.0027701 1.0027701
|
|
21400 0.34181459 0 -0.039942616 1.0027701 1.0027701
|
|
21500 0.3315724 0 -0.05089285 1.0027701 1.0027701
|
|
21600 0.35674681 0 -0.047926263 1.0083102 1.0083102
|
|
21700 0.37320044 0 -0.047190592 1.0027701 1.0027701
|
|
21800 0.34626293 0 -0.063211549 1.0083102 1.0027701
|
|
21900 0.32941853 0 -0.078034339 1.0083102 1.0027701
|
|
22000 0.34102577 0 -0.083179211 1.0027701 1.0027701
|
|
22100 0.33614888 0 -0.091647522 1.0083102 1.0083102
|
|
22200 0.3339762 0 -0.09744915 1.0083102 1.0027701
|
|
22300 0.33867021 0 -0.10026932 1.0027701 1.0027701
|
|
22400 0.31974078 0 -0.10896583 1.0027701 1.0027701
|
|
22500 0.3261442 0 -0.10644809 1.0027701 1.0027701
|
|
22600 0.35128159 0 -0.097711062 1.0027701 1.0027701
|
|
22700 0.33133845 0 -0.10656571 1.0027701 1.0027701
|
|
22800 0.31730555 0 -0.11420891 1.0027701 1.0027701
|
|
22900 0.34720941 0 -0.10586647 1.0083102 1.0027701
|
|
23000 0.34418922 0 -0.10745826 1.0027701 1.0027701
|
|
23100 0.32342851 0 -0.11384766 1.0027701 1.0027701
|
|
23200 0.3408144 0 -0.10631064 1.0027701 1.0027701
|
|
23300 0.33006722 0 -0.1070084 1.0027701 1.0027701
|
|
23400 0.31578528 0 -0.10711608 1.0027701 1.0027701
|
|
23500 0.34908788 0 -0.088441889 1.0027701 1.0027701
|
|
23600 0.35801835 0 -0.075953983 1.0027701 1.0027701
|
|
23700 0.33573037 0 -0.072357745 1.0027701 1.0083102
|
|
23800 0.34435835 0 -0.055470682 1.0083102 1.0027701
|
|
23900 0.35307683 0 -0.036076205 1.0027701 1.0027701
|
|
24000 0.35184599 0 -0.020939815 1.0027701 1.0027701
|
|
24100 0.35687079 0 -0.0063601457 1.0027701 1.0027701
|
|
24200 0.33612385 0 -0.0014613923 1.0027701 1.0027701
|
|
24300 0.32234106 0 0.006750452 1.0027701 1.0027701
|
|
24400 0.34852008 0 0.029170079 1.0027701 1.0027701
|
|
24500 0.35224811 0 0.043783151 1.0027701 1.0027701
|
|
24600 0.34160459 0 0.05294313 1.0027701 1.0027701
|
|
24700 0.35616752 0 0.069291509 1.0027701 1.0027701
|
|
24800 0.34984726 0 0.076650029 1.0027701 1.0027701
|
|
24900 0.33337969 0 0.080083735 1.0027701 1.0027701
|
|
25000 0.34846751 0 0.095559187 1.0027701 1.0027701
|
|
25100 0.34495541 0 0.10558042 1.0027701 1.0083102
|
|
25200 0.32630088 0 0.10897783 1.0083102 1.0027701
|
|
25300 0.33651146 0 0.11888202 1.0027701 1.0027701
|
|
25400 0.32194445 0 0.11826793 1.0027701 1.0027701
|
|
25500 0.30295352 0 0.11641357 1.0027701 1.0027701
|
|
25600 0.33485387 0 0.13204258 1.0027701 1.0027701
|
|
25700 0.34407287 0 0.13738986 1.0027701 1.0027701
|
|
25800 0.32421817 0 0.12822703 1.0083102 1.0083102
|
|
25900 0.32463356 0 0.12403448 1.0027701 1.0027701
|
|
26000 0.32431468 0 0.12087994 1.0027701 1.0083102
|
|
26100 0.31886825 0 0.11741621 1.0083102 1.0027701
|
|
26200 0.32607823 0 0.1180517 1.0083102 1.0027701
|
|
26300 0.32511255 0 0.11479741 1.0027701 1.0083102
|
|
26400 0.32336124 0 0.11055002 1.0027701 1.0027701
|
|
26500 0.33026321 0 0.10934888 1.0027701 1.0027701
|
|
26600 0.32604491 0 0.10480442 1.0027701 1.0027701
|
|
26700 0.33764955 0 0.10458959 1.0027701 1.0027701
|
|
26800 0.35202544 0 0.10295075 1.0027701 1.0027701
|
|
26900 0.33382028 0 0.088148483 1.0027701 1.0027701
|
|
27000 0.33252808 0 0.078275659 1.0027701 1.0027701
|
|
27100 0.35433636 0 0.076729989 1.0083102 1.0027701
|
|
27200 0.34824881 0 0.065720375 1.0083102 1.0027701
|
|
27300 0.33525644 0 0.051611147 1.0027701 1.0027701
|
|
27400 0.34685762 0 0.045597284 1.0027701 1.0027701
|
|
27500 0.35181712 0 0.037076034 1.0027701 1.0027701
|
|
27600 0.34541685 0 0.022287411 1.0027701 1.0027701
|
|
27700 0.34559823 0 0.0056480168 1.0027701 1.0083102
|
|
27800 0.33646375 0 -0.015571541 1.0027701 1.0027701
|
|
27900 0.33681932 0 -0.031777883 1.0083102 1.0027701
|
|
28000 0.35093514 0 -0.041519343 1.0027701 1.0027701
|
|
28100 0.34345697 0 -0.057623438 1.0027701 1.0027701
|
|
28200 0.33655073 0 -0.072228985 1.0027701 1.0027701
|
|
28300 0.34428448 0 -0.080015243 1.0027701 1.0027701
|
|
28400 0.34089922 0 -0.089955339 1.0027701 1.0027701
|
|
28500 0.34522966 0 -0.096529413 1.0083102 1.0027701
|
|
28600 0.34713819 0 -0.10221712 1.0083102 1.0083102
|
|
28700 0.33692049 0 -0.10868625 1.0027701 1.0027701
|
|
28800 0.34522852 0 -0.10679446 1.0027701 1.0083102
|
|
28900 0.33956477 0 -0.1105454 1.0083102 1.0027701
|
|
29000 0.30989301 0 -0.12332622 1.0083102 1.0083102
|
|
29100 0.32373738 0 -0.11985261 1.0027701 1.0027701
|
|
29200 0.35156812 0 -0.10956099 1.0027701 1.0027701
|
|
29300 0.33938829 0 -0.11259535 1.0027701 1.0027701
|
|
29400 0.32401178 0 -0.11664978 1.0083102 1.0083102
|
|
29500 0.32320492 0 -0.11336533 1.0027701 1.0027701
|
|
29600 0.32928877 0 -0.10404547 1.0027701 1.0027701
|
|
29700 0.3436911 0 -0.089845529 1.0027701 1.0027701
|
|
29800 0.34194019 0 -0.081660797 1.0027701 1.0027701
|
|
29900 0.32909826 0 -0.07807778 1.0027701 1.0083102
|
|
30000 0.34092826 0 -0.06626489 1.0027701 1.0027701
|
|
30100 0.34763086 0 -0.055589635 1.0027701 1.0027701
|
|
30200 0.34479984 0 -0.047402672 1.0083102 1.0083102
|
|
30300 0.34783224 0 -0.036371931 1.0083102 1.0027701
|
|
30400 0.34525176 0 -0.027246663 1.0027701 1.0027701
|
|
30500 0.35266364 0 -0.016275033 1.0027701 1.0027701
|
|
30600 0.35792479 0 -0.007158119 1.0083102 1.0083102
|
|
30700 0.33607567 0 -0.0064391529 1.0027701 1.0027701
|
|
30800 0.34311607 0 0.005382948 1.0083102 1.0027701
|
|
30900 0.37218574 0 0.025004945 1.0027701 1.0027701
|
|
31000 0.35196541 0 0.027902483 1.0027701 1.0027701
|
|
31100 0.33533693 0 0.032349025 1.0083102 1.0083102
|
|
31200 0.34382193 0 0.046631454 1.0083102 1.0027701
|
|
31300 0.32886237 0 0.05405956 1.0027701 1.0027701
|
|
31400 0.32738754 0 0.066295734 1.0027701 1.0027701
|
|
31500 0.35367575 0 0.087140904 1.0027701 1.0027701
|
|
31600 0.33756811 0 0.092135887 1.0027701 1.0027701
|
|
31700 0.31701631 0 0.094576339 1.0027701 1.0027701
|
|
31800 0.34217612 0 0.11195071 1.0027701 1.0027701
|
|
31900 0.33725187 0 0.11924087 1.0027701 1.0083102
|
|
32000 0.30966055 0 0.1199329 1.0027701 1.0027701
|
|
32100 0.32771084 0 0.13627552 1.0027701 1.0027701
|
|
32200 0.3400914 0 0.14816015 1.0027701 1.0027701
|
|
32300 0.32210513 0 0.14569378 1.0027701 1.0027701
|
|
32400 0.32096229 0 0.14515284 1.0027701 1.0083102
|
|
32500 0.31781969 0 0.14124479 1.0083102 1.0083102
|
|
32600 0.3146986 0 0.13616644 1.0083102 1.0083102
|
|
32700 0.33526021 0 0.13913538 1.0027701 1.0027701
|
|
32800 0.33561156 0 0.13481353 1.0027701 1.0027701
|
|
32900 0.31418235 0 0.12161202 1.0027701 1.0027701
|
|
33000 0.31952054 0 0.11558871 1.0083102 1.0083102
|
|
33100 0.33437451 0 0.11011602 1.0083102 1.0083102
|
|
33200 0.33381704 0 0.096535424 1.0027701 1.0027701
|
|
33300 0.33786259 0 0.08382113 1.0027701 1.0027701
|
|
33400 0.34590937 0 0.073879824 1.0027701 1.0027701
|
|
33500 0.33844204 0 0.060854835 1.0083102 1.0083102
|
|
33600 0.33845544 0 0.052237152 1.0027701 1.0027701
|
|
33700 0.35419837 0 0.048922784 1.0027701 1.0027701
|
|
33800 0.3485977 0 0.036886422 1.0027701 1.0083102
|
|
33900 0.33816081 0 0.021599335 1.0083102 1.0083102
|
|
34000 0.34241389 0 0.010436074 1.0083102 1.0027701
|
|
34100 0.33934235 0 -0.002581075 1.0027701 1.0083102
|
|
34200 0.34579204 0 -0.011373729 1.0027701 1.0027701
|
|
34300 0.35778336 0 -0.018118327 1.0083102 1.0083102
|
|
34400 0.35522938 0 -0.030427967 1.0027701 1.0027701
|
|
34500 0.34820709 0 -0.042562699 1.0027701 1.0027701
|
|
34600 0.35026547 0 -0.047488326 1.0027701 1.0027701
|
|
34700 0.35221351 0 -0.050832178 1.0027701 1.0027701
|
|
34800 0.33043515 0 -0.062718859 1.0027701 1.0027701
|
|
34900 0.32750488 0 -0.068765033 1.0027701 1.0027701
|
|
35000 0.35323787 0 -0.067326627 1.0027701 1.0027701
|
|
35100 0.34732304 0 -0.080326407 1.0083102 1.0027701
|
|
35200 0.3248439 0 -0.099312427 1.0027701 1.0027701
|
|
35300 0.32854244 0 -0.10509437 1.0027701 1.0027701
|
|
35400 0.33511384 0 -0.10605662 1.0027701 1.0027701
|
|
35500 0.33532722 0 -0.10993967 1.0027701 1.0027701
|
|
35600 0.33523312 0 -0.11653983 1.0027701 1.0083102
|
|
35700 0.32405906 0 -0.12564005 1.0083102 1.0083102
|
|
35800 0.32914902 0 -0.12476137 1.0083102 1.0027701
|
|
35900 0.34093492 0 -0.11716996 1.0027701 1.0027701
|
|
36000 0.33557882 0 -0.11216382 1.0027701 1.0027701
|
|
36100 0.3342841 0 -0.10445781 1.0027701 1.0027701
|
|
36200 0.33557348 0 -0.0983036 1.0027701 1.0027701
|
|
36300 0.33052024 0 -0.097594107 1.0027701 1.0027701
|
|
36400 0.34570912 0 -0.089010349 1.0083102 1.0083102
|
|
36500 0.35735704 0 -0.078483059 1.0083102 1.0027701
|
|
36600 0.33199022 0 -0.079452064 1.0083102 1.0083102
|
|
36700 0.3191692 0 -0.074378584 1.0083102 1.0027701
|
|
36800 0.34473865 0 -0.052467819 1.0027701 1.0027701
|
|
36900 0.35012922 0 -0.034841373 1.0027701 1.0027701
|
|
37000 0.34543508 0 -0.019956141 1.0083102 1.0083102
|
|
37100 0.36637971 0 0.0034123108 1.0027701 1.0027701
|
|
37200 0.36008557 0 0.016667331 1.0083102 1.0083102
|
|
37300 0.34027931 0 0.024177377 1.0083102 1.0027701
|
|
37400 0.35097853 0 0.041160628 1.0027701 1.0027701
|
|
37500 0.35024671 0 0.052433671 1.0027701 1.0027701
|
|
37600 0.33483801 0 0.05655083 1.0027701 1.0027701
|
|
37700 0.3402098 0 0.067222448 1.0083102 1.0083102
|
|
37800 0.33859985 0 0.075720813 1.0083102 1.0083102
|
|
37900 0.32323549 0 0.079678841 1.0083102 1.0027701
|
|
38000 0.33701532 0 0.092666162 1.0027701 1.0027701
|
|
38100 0.3424632 0 0.10094611 1.0027701 1.0027701
|
|
38200 0.32167421 0 0.099350179 1.0027701 1.0083102
|
|
38300 0.32540911 0 0.10664752 1.0027701 1.0027701
|
|
38400 0.33574781 0 0.11614552 1.0027701 1.0027701
|
|
38500 0.33125908 0 0.11940265 1.0027701 1.0027701
|
|
38600 0.33885801 0 0.12616083 1.0027701 1.0027701
|
|
38700 0.33813506 0 0.1298943 1.0027701 1.0027701
|
|
38800 0.31888318 0 0.1260135 1.0027701 1.0027701
|
|
38900 0.31006429 0 0.12450345 1.0027701 1.0027701
|
|
39000 0.31407783 0 0.12693078 1.0083102 1.0083102
|
|
39100 0.33078021 0 0.13111094 1.0027701 1.0083102
|
|
39200 0.34311375 0 0.12937945 1.0027701 1.0083102
|
|
39300 0.33594172 0 0.11839992 1.0027701 1.0027701
|
|
39400 0.32763204 0 0.10898509 1.0083102 1.0083102
|
|
39500 0.33114946 0 0.10782558 1.0083102 1.0027701
|
|
39600 0.32905328 0 0.10631627 1.0027701 1.0027701
|
|
39700 0.32416114 0 0.10142386 1.0083102 1.0027701
|
|
39800 0.32709132 0 0.096046083 1.0027701 1.0027701
|
|
39900 0.32910896 0 0.087876394 1.0027701 1.0027701
|
|
40000 0.33462908 0 0.07810396 1.0027701 1.0027701
|
|
Loop time of 0.503795 on 2 procs for 40000 steps with 361 atoms
|
|
|
|
Performance: 6859934.469 tau/day, 79397.390 timesteps/s, 28.662 Matom-step/s
|
|
95.1% CPU use with 2 MPI tasks x 1 OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 0.016365 | 0.01652 | 0.016675 | 0.1 | 3.28
|
|
Bond | 0.15864 | 0.16196 | 0.16529 | 0.8 | 32.15
|
|
Neigh | 0.05169 | 0.051701 | 0.051711 | 0.0 | 10.26
|
|
Comm | 0.076385 | 0.091917 | 0.10745 | 5.1 | 18.24
|
|
Output | 0.0032235 | 0.0038308 | 0.004438 | 1.0 | 0.76
|
|
Modify | 0.11757 | 0.11844 | 0.1193 | 0.3 | 23.51
|
|
Other | | 0.05943 | | | 11.80
|
|
|
|
Nlocal: 180.5 ave 181 max 180 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 1
|
|
Nghost: 53.5 ave 54 max 53 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 1
|
|
Neighs: 0 ave 0 max 0 min
|
|
Histogram: 2 0 0 0 0 0 0 0 0 0
|
|
|
|
Total # of neighbors = 0
|
|
Ave neighs/atom = 0
|
|
Ave special neighs/atom = 31.024931
|
|
Neighbor list builds = 800
|
|
Dangerous builds = 0
|
|
Total wall time: 0:00:00
|