File: cnt_electrostatic.screen

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LAMMPS (30 Aug 2013)
units		metal
atom_style	atomic

lattice       diamond  3.6
Lattice spacing in x,y,z = 3.6 3.6 3.6
pair_style    tersoff
boundary	s s f

read_data  tube_8_4.init
Reading data file ...
  orthogonal box = (-4.34588 -4.34588 0) to (4.34588 4.34588 104.296)
  1 by 1 by 4 MPI processor grid
  1008 atoms
  1008 velocities

# PARAMETERS-----------------------------
variable L equal zhi-zlo
variable R equal 12.1/2
variable xhiFE equal 5.0*$R
variable xhiFE equal 5.0*6.0499999999999998224
variable xloFE equal -${xhiFE}
variable xloFE equal -30.25
variable yhiFE equal $R
variable yhiFE equal 6.0499999999999998224
variable yloFE equal -${xhiFE}
variable yloFE equal -30.25
variable zhiFE equal zhi
variable zloFE equal zlo+10
print "Length $L [${zloFE}, ${zhiFE}]"
Length 104.29551668000000575 [10, 104.29551668000000575]

variable E equal 10.0
print "Electric field $E"
Electric field 10
variable drhodx equal 0.0001
variable s equal 50
# END -----------------------------------

#pair_coeff    * * SiC.tersoff  C
pair_coeff    * * ../../../../potentials/SiC.tersoff  C
mass          *  12.01

# all atoms simulation
region		feRegion block ${xloFE} ${xhiFE} ${yloFE} ${yhiFE} ${zloFE} ${zhiFE} units box
region		feRegion block -30.25 ${xhiFE} ${yloFE} ${yhiFE} ${zloFE} ${zhiFE} units box
region		feRegion block -30.25 30.25 ${yloFE} ${yhiFE} ${zloFE} ${zhiFE} units box
region		feRegion block -30.25 30.25 -30.25 ${yhiFE} ${zloFE} ${zhiFE} units box
region		feRegion block -30.25 30.25 -30.25 6.0499999999999998224 ${zloFE} ${zhiFE} units box
region		feRegion block -30.25 30.25 -30.25 6.0499999999999998224 10 ${zhiFE} units box
region		feRegion block -30.25 30.25 -30.25 6.0499999999999998224 10 104.29551668000000575 units box
group		internal region feRegion
908 atoms in group internal

variable nAll   equal count(all)
variable nGhost equal count(all)-count(internal)
print ">>> number of stationary ghosts:  ${nGhost} of ${nAll}"
>>> number of stationary ghosts:  100 of 1008

neighbor	5. bin
neigh_modify	every 10 delay 0 check no
timestep        0.0005

# coupling
fix         AtC internal   atc electrostatic CNT_electrostatic.mat
ATC: constructing electrostatic mechanical coupling with parameter file CNT_electrostatic.mat
 ATC: version 2.0
 ATC: peratom PE compute created with ID: 3
 ATC: computed mass density : 2.05933
 ATC: 1 materials defined from CNT_electrostatic.mat
 ATC: creating electrostatic extrinsic model
 ATC: computed mass density : 2.05933
 ATC: 1 materials defined from CNT_electrostatic.mat
 ATC: computed mass density : 2.05933
 ATC: 1 materials defined from CNT_electrostatic.mat
fix_modify  AtC  internal_quadrature off
fix_modify	AtC  omit atomic_charge
fix_modify  AtC mesh create 5  1  12  feRegion f p f
 ATC: created uniform mesh with 156 nodes, 78 unique nodes, and 60 elements

# initial & boundary conditions
fix_modify  AtC  initial displacement x all 0.0
fix_modify  AtC  initial displacement y all 0.0
fix_modify  AtC  initial displacement z all 0.0
fix_modify  AtC  initial velocity x all 0.0
fix_modify  AtC  initial velocity y all 0.0
fix_modify  AtC  initial velocity z all 0.0
fix_modify  AtC  initial electric_potential all 0.0

variable a equal -$R-0.1
variable a equal -6.0499999999999998224-0.1
variable b equal  $R+0.1
variable b equal  6.0499999999999998224+0.1
fix_modify  AtC mesh create_nodeset tube $a $b $a $b ${zloFE} ${zhiFE} units box
fix_modify  AtC mesh create_nodeset tube -6.1499999999999994671 $b $a $b ${zloFE} ${zhiFE} units box
fix_modify  AtC mesh create_nodeset tube -6.1499999999999994671 6.1499999999999994671 $a $b ${zloFE} ${zhiFE} units box
fix_modify  AtC mesh create_nodeset tube -6.1499999999999994671 6.1499999999999994671 -6.1499999999999994671 $b ${zloFE} ${zhiFE} units box
fix_modify  AtC mesh create_nodeset tube -6.1499999999999994671 6.1499999999999994671 -6.1499999999999994671 6.1499999999999994671 ${zloFE} ${zhiFE} units box
fix_modify  AtC mesh create_nodeset tube -6.1499999999999994671 6.1499999999999994671 -6.1499999999999994671 6.1499999999999994671 10 ${zhiFE} units box
fix_modify  AtC mesh create_nodeset tube -6.1499999999999994671 6.1499999999999994671 -6.1499999999999994671 6.1499999999999994671 10 104.29551668000000575 units box
 ATC: created nodeset tube with 26 nodes
variable a equal ${zloFE}-0.1
variable a equal 10-0.1
variable b equal ${zloFE}+0.1
variable b equal 10+0.1
fix_modify  AtC mesh create_nodeset lbc ${xloFE} ${xhiFE} ${xloFE} ${xhiFE} $a $b units box
fix_modify  AtC mesh create_nodeset lbc -30.25 ${xhiFE} ${xloFE} ${xhiFE} $a $b units box
fix_modify  AtC mesh create_nodeset lbc -30.25 30.25 ${xloFE} ${xhiFE} $a $b units box
fix_modify  AtC mesh create_nodeset lbc -30.25 30.25 -30.25 ${xhiFE} $a $b units box
fix_modify  AtC mesh create_nodeset lbc -30.25 30.25 -30.25 30.25 $a $b units box
fix_modify  AtC mesh create_nodeset lbc -30.25 30.25 -30.25 30.25 9.9000000000000003553 $b units box
fix_modify  AtC mesh create_nodeset lbc -30.25 30.25 -30.25 30.25 9.9000000000000003553 10.099999999999999645 units box
 ATC: created nodeset lbc with 6 nodes
variable a equal ${xhiFE}-0.1
variable a equal 30.25-0.1
variable b equal ${xhiFE}+0.1
variable b equal 30.25+0.1
fix_modify  AtC mesh create_nodeset top $a $b ${yloFE} ${yhiFE} ${zloFE} ${zhiFE} units box
fix_modify  AtC mesh create_nodeset top 30.149999999999998579 $b ${yloFE} ${yhiFE} ${zloFE} ${zhiFE} units box
fix_modify  AtC mesh create_nodeset top 30.149999999999998579 30.350000000000001421 ${yloFE} ${yhiFE} ${zloFE} ${zhiFE} units box
fix_modify  AtC mesh create_nodeset top 30.149999999999998579 30.350000000000001421 -30.25 ${yhiFE} ${zloFE} ${zhiFE} units box
fix_modify  AtC mesh create_nodeset top 30.149999999999998579 30.350000000000001421 -30.25 6.0499999999999998224 ${zloFE} ${zhiFE} units box
fix_modify  AtC mesh create_nodeset top 30.149999999999998579 30.350000000000001421 -30.25 6.0499999999999998224 10 ${zhiFE} units box
fix_modify  AtC mesh create_nodeset top 30.149999999999998579 30.350000000000001421 -30.25 6.0499999999999998224 10 104.29551668000000575 units box
 ATC: created nodeset top with 13 nodes
variable a equal ${xloFE}-0.1
variable a equal -30.25-0.1
variable b equal ${xloFE}+0.1
variable b equal -30.25+0.1
fix_modify  AtC mesh create_nodeset bot $a $b ${yloFE} ${yhiFE} ${zloFE} ${zhiFE} units box
fix_modify  AtC mesh create_nodeset bot -30.350000000000001421 $b ${yloFE} ${yhiFE} ${zloFE} ${zhiFE} units box
fix_modify  AtC mesh create_nodeset bot -30.350000000000001421 -30.149999999999998579 ${yloFE} ${yhiFE} ${zloFE} ${zhiFE} units box
fix_modify  AtC mesh create_nodeset bot -30.350000000000001421 -30.149999999999998579 -30.25 ${yhiFE} ${zloFE} ${zhiFE} units box
fix_modify  AtC mesh create_nodeset bot -30.350000000000001421 -30.149999999999998579 -30.25 6.0499999999999998224 ${zloFE} ${zhiFE} units box
fix_modify  AtC mesh create_nodeset bot -30.350000000000001421 -30.149999999999998579 -30.25 6.0499999999999998224 10 ${zhiFE} units box
fix_modify  AtC mesh create_nodeset bot -30.350000000000001421 -30.149999999999998579 -30.25 6.0499999999999998224 10 104.29551668000000575 units box
 ATC: created nodeset bot with 13 nodes

fix_modify AtC  fix displacement x lbc 0.
fix_modify AtC  fix displacement y lbc 0.
fix_modify AtC  fix displacement z lbc 0.
fix_modify AtC  fix velocity     x lbc 0.
fix_modify AtC  fix velocity     y lbc 0.
fix_modify AtC  fix velocity     z lbc 0.
fix_modify AtC  fix electron_density all 0.0
#fix_modify  AtC  fix electron_density tube 0.2
fix_modify AtC  fix electron_density tube linear 0 0 0 0 0 ${drhodx} 0
fix_modify AtC  fix electron_density tube linear 0 0 0 0 0 0.00010000000000000000479 0
 ATC: created function : 0 + 0(x-0)+0(y-0)+0.0001(z-0)
fix_modify AtC  fix electric_potential all linear 0 0 0 $E 0 0 0 0
fix_modify AtC  fix electric_potential all linear 0 0 0 10 0 0 0 0
 ATC: created function : 0 + 10(x-0)+0(y-0)+0(z-0)

fix_modify      AtC control  momentum flux

# run
thermo_style    custom step cpu etotal ke
thermo          1#$s
fix_modify      AtC  output        cnt_electrostaticFE $s full_text
fix_modify      AtC  output        cnt_electrostaticFE 50 full_text
 ATC: Warning : text output can create _LARGE_ files
 ATC: output custom names:

fix_modify      AtC  output  index step
# NOTE not recognized as vector by paraview
variable uX atom x-f_AtC[1]
variable uY atom y-f_AtC[2]
variable uZ atom z-f_AtC[3]
variable rho atom mass*f_AtC[4]
dump  CONFIG all custom $s cnt_electrostatic.dmp id type x y z v_uX v_uY v_uZ v_rho
dump  CONFIG all custom 50 cnt_electrostatic.dmp id type x y z v_uX v_uY v_uZ v_rho
log cnt_electrostatic.log
#run   	        1000

# fixed charge, bc on potential
fix_modify AtC  unfix electric_potential all
fix_modify AtC  fix electric_potential lbc linear 0 0 0 $E 0 0 0 0
fix_modify AtC  fix electric_potential lbc linear 0 0 0 10 0 0 0 0
 ATC: created function : 0 + 10(x-0)+0(y-0)+0(z-0)
fix_modify AtC  fix electric_potential top linear 0 0 0 $E 0 0 0 0
fix_modify AtC  fix electric_potential top linear 0 0 0 10 0 0 0 0
 ATC: created function : 0 + 10(x-0)+0(y-0)+0(z-0)
fix_modify AtC  fix electric_potential bot linear 0 0 0 $E 0 0 0 0
fix_modify AtC  fix electric_potential bot linear 0 0 0 10 0 0 0 0
 ATC: created function : 0 + 10(x-0)+0(y-0)+0(z-0)
run   	        1000
Setting up run ...
 ATC: WARNING: material: [cnt] cannot find electron_flux
 ATC: WARNING: physics model: [electrostatic], material: [cnt] does not provide all interfaces for <electron_density> physics and will be treated as null 
Memory usage per processor = 53.947 Mbytes
Step CPU TotEng KinEng 
       0            0   -7315.3918 4.2386027e-06 
       1  0.025810003   -7315.3918 8.3975109e-06 
       2  0.045089006   -7315.3918 1.4120368e-05 
       3  0.064533949   -7315.3918 2.1378868e-05 
       4  0.083941936   -7315.3918 3.0172501e-05 
       5   0.10308599   -7315.3918 4.0500585e-05 
       6   0.12258291   -7315.3918 5.2362272e-05 
       7   0.14191604   -7315.3918 6.5756548e-05 
       8   0.16103292   -7315.3918 8.0682245e-05 
       9   0.22960401   -7315.3918 9.713804e-05 
      10   0.25665998   -7315.3918 0.00011512246 
      11   0.27592993   -7315.3918 0.00013463391 
      12    0.2951839   -7315.3918 0.00015567063 
      13     0.314291   -7315.3918 0.00017823074 
      14   0.33337688   -7315.3918 0.00020231225 
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      21   0.47486901   -7315.3918 0.0004132905 
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      24   0.53253794   -7315.3918 0.00052628798 
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      27   0.59018087   -7315.3918 0.00065272401 
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      30   0.65568209   -7315.3917 0.00079251893 
      31   0.67498398   -7315.3917 0.00084207182 
      32   0.69448495   -7315.3917 0.00089309691 
      33   0.71340704   -7315.3917 0.00094559113 
      34   0.73229194   -7315.3917 0.00099955142 
      35   0.75134206   -7315.3917 0.0010549747 
      36   0.77047706   -7315.3917 0.0011118579 
      37   0.78956103   -7315.3917 0.0011701978 
      38   0.80883098   -7315.3917 0.0012299916 
      39   0.82806587   -7315.3917  0.001291236 
      40   0.85506606   -7315.3917  0.001353928 
      41   0.87416291   -7315.3917 0.0014180645 
      42   0.89339495   -7315.3917 0.0014836425 
      43   0.91239691   -7315.3917 0.0015506588 
      44   0.93148708   -7315.3917 0.0016191104 
      45   0.95069003   -7315.3917 0.0016889941 
      46   0.96962595   -7315.3917 0.0017603069 
      47   0.98870397   -7315.3917 0.0018330457 
      48    1.0075381   -7315.3917 0.0019072073 
      49      1.02637   -7315.3916 0.0019827887 
      50     1.071794   -7315.3916 0.0020597866 
      51    1.0912619   -7315.3916  0.002138198 
      52     1.110558   -7315.3916 0.0022180196 
      53    1.1298969   -7315.3916 0.0022992484 
      54    1.1492729   -7315.3916 0.0023818813 
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      60     1.273556   -7315.3916 0.0029069848 
      61     1.292583   -7315.3916 0.0029993569 
      62     1.311583   -7315.3916 0.0030931075 
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      64    1.3496621   -7315.3915 0.0032847318 
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      67    1.4067259   -7315.3915 0.0035824284 
      68     1.425765   -7315.3915 0.0036843841 
      69    1.4447699   -7315.3915 0.0037876964 
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      71    1.4907479   -7315.3915 0.0039983787 
      72     1.509676   -7315.3915 0.0041057427 
      73    1.5285609   -7315.3915 0.0042144511 
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      75     1.566381   -7315.3915 0.0044358899 
      76     1.585505   -7315.3914 0.0045486143 
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      78     1.623523   -7315.3914 0.0047780591 
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      80    1.6691709   -7315.3914 0.0050128131 
      81     1.688225   -7315.3914  0.005132174 
      82      1.70734   -7315.3914 0.0052528541 
      83     1.726284   -7315.3914 0.0053748505 
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      86    1.7835369   -7315.3913 0.0057487114 
      87     1.802501   -7315.3913 0.0058759467 
      88    1.8215909   -7315.3913 0.0060044851 
      89     1.840709   -7315.3913  0.006134324 
      90    1.8676639   -7315.3913 0.0062654606 
      91     1.886904   -7315.3913 0.0063978923 
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      93    1.9254501   -7315.3913 0.0066666301 
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      96       1.9835   -7315.3912 0.0070793805 
      97    2.0027859   -7315.3912 0.0072195241 
      98    2.0218289   -7315.3912 0.0073609428 
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     104    2.1635261   -7315.3912 0.0082360529 
     105     2.182955   -7315.3911 0.0083863055 
     106     2.202167   -7315.3911 0.0085378058 
     107     2.221386   -7315.3911 0.0086905498 
     108     2.240649   -7315.3911 0.0088445335 
     109    2.2600369   -7315.3911 0.0089997527 
     110     2.287184   -7315.3911 0.0091562032 
     111     2.306258   -7315.3911 0.0093138804 
     112    2.3253491   -7315.3911   0.00947278 
     113    2.3444901   -7315.3911 0.0096328972 
     114    2.3634701    -7315.391 0.0097942273 
     115     2.382374    -7315.391 0.0099567653 
     116    2.4012029    -7315.391  0.010120506 
     117    2.4202731    -7315.391  0.010285445 
     118     2.439373    -7315.391  0.010451576 
     119     2.458385    -7315.391  0.010618895 
     120     2.485244    -7315.391  0.010787395 
     121    2.5043731    -7315.391  0.010957072 
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     123    2.5427461   -7315.3909   0.01129993 
     124     2.561985   -7315.3909    0.0114731 
     125    2.5813479   -7315.3909  0.011647424 
     126     2.600733   -7315.3909  0.011822894 
     127     2.620213   -7315.3909  0.011999506 
     128     2.639359   -7315.3909  0.012177252 
     129      2.65853   -7315.3908  0.012356127 
     130    2.6854789   -7315.3908  0.012536125 
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     133    2.7434521   -7315.3908   0.01308279 
     134     2.762742   -7315.3908  0.013267215 
     135    2.7818921   -7315.3908   0.01345273 
     136    2.8010681   -7315.3908   0.01363933 
     137     2.820262   -7315.3907  0.013827009 
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     142    2.9253891   -7315.3907  0.014781349 
     143    2.9447639   -7315.3907  0.014975362 
     144    2.9641519   -7315.3906  0.015170409 
     145    2.9833939   -7315.3906  0.015366482 
     146    3.0028679   -7315.3906  0.015563577 
     147    3.0223079   -7315.3906  0.015761685 
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     149    3.0608749   -7315.3906   0.01616092 
     150    3.1068211   -7315.3905  0.016362034 
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     152    3.1453221   -7315.3905  0.016767223 
     153     3.164592   -7315.3905  0.016971286 
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     176    3.6247211   -7315.3901  0.021920323 
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     178    3.6634209   -7315.3901  0.022372559 
     179    3.6828361   -7315.3901  0.022599919 
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     183    3.7674971     -7315.39  0.023517518 
     184     3.786447     -7315.39  0.023748934 
     185     3.805578     -7315.39  0.023981146 
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     245    5.0218489   -7315.3886  0.039219793 
     246     5.040921   -7315.3886  0.039492825 
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     248    5.0790489   -7315.3886  0.040040452 
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     269     5.519563    -7315.388   0.04590597 
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     290     5.942467   -7315.3874   0.05194964 
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     293    5.9995489   -7315.3873  0.052825145 
     294      6.01859   -7315.3873  0.053117594 
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     320    6.5613389   -7315.3864   0.06082088 
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     328    6.7140219   -7315.3862  0.063226852 
     329     6.732935   -7315.3861   0.06352869 
     330    6.7600489   -7315.3861  0.063830765 
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     332    6.7983141    -7315.386  0.064435613 
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     334    6.8365469    -7315.386   0.06504138 
     335     6.856004   -7315.3859  0.065344602 
     336    6.8750539   -7315.3859  0.065648047 
     337    6.8942471   -7315.3859  0.065951711 
     338     6.913641   -7315.3858  0.066255594 
     339     6.933022   -7315.3858  0.066559692 
     340     6.959846   -7315.3858  0.066864002 
     341     6.978806   -7315.3857  0.067168523 
     342     6.997757   -7315.3857  0.067473251 
     343     7.016665   -7315.3857  0.067778184 
     344      7.03584   -7315.3856  0.068083319 
     345    7.0549209   -7315.3856  0.068388653 
     346    7.0741811   -7315.3856  0.068694184 
     347    7.0932961   -7315.3855  0.068999909 
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     349     7.131479   -7315.3855  0.069611929 
     350    7.1770399   -7315.3854  0.069918218 
     351     7.196182   -7315.3854  0.070224689 
     352     7.215261   -7315.3854  0.070531339 
     353    7.2342899   -7315.3853  0.070838166 
     354    7.2532849   -7315.3853  0.071145166 
     355    7.2724271   -7315.3853  0.071452336 
     356     7.291405   -7315.3852  0.071759674 
     357     7.310446   -7315.3852  0.072067176 
     358    7.3296099   -7315.3851  0.072374839 
     359     7.348726   -7315.3851  0.072682659 
     360      7.37555   -7315.3851  0.072990635 
     361     7.394496    -7315.385  0.073298762 
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     715    14.696479   -7315.3683   0.17844205 
     716    14.715512   -7315.3683   0.17869675 
     717     14.73461   -7315.3682   0.17895101 
     718    14.753571   -7315.3682   0.17920481 
     719    14.772772   -7315.3681   0.17945815 
     720    14.799669    -7315.368   0.17971103 
     721    14.818624    -7315.368   0.17996344 
     722    14.837599   -7315.3679   0.18021538 
     723    14.856791   -7315.3679   0.18046686 
     724    14.875977   -7315.3678   0.18071786 
     725    14.895071   -7315.3678   0.18096838 
     726    14.914256   -7315.3677   0.18121842 
     727    14.933213   -7315.3676   0.18146799 
     728    14.952075   -7315.3676   0.18171706 
     729     14.97107   -7315.3675   0.18196565 
     730    14.998179   -7315.3675   0.18221375 
     731    15.017303   -7315.3674   0.18246136 
     732     15.03621   -7315.3674   0.18270847 
     733    15.055505   -7315.3673   0.18295508 
     734    15.074475   -7315.3672    0.1832012 
     735    15.093592   -7315.3672   0.18344681 
     736    15.112703   -7315.3671   0.18369192 
     737    15.131661   -7315.3671   0.18393653 
     738    15.150913    -7315.367   0.18418062 
     739    15.170227    -7315.367   0.18442421 
     740    15.197548   -7315.3669   0.18466728 
     741    15.216756   -7315.3669   0.18490984 
     742    15.236244   -7315.3668   0.18515188 
     743    15.255491   -7315.3667   0.18539341 
     744    15.274941   -7315.3667   0.18563442 
     745    15.294369   -7315.3666    0.1858749 
     746    15.313753   -7315.3666   0.18611487 
     747    15.332957   -7315.3665    0.1863543 
     748    15.352379   -7315.3664   0.18659321 
     749    15.371665   -7315.3664    0.1868316 
     750    15.417015   -7315.3663   0.18706945 
     751    15.436115   -7315.3663   0.18730677 
     752    15.455065   -7315.3662   0.18754356 
     753    15.474237   -7315.3662   0.18777982 
     754    15.493455   -7315.3661   0.18801554 
     755    15.512631    -7315.366   0.18825072 
     756    15.531568    -7315.366   0.18848536 
     757    15.550779   -7315.3659   0.18871946 
     758    15.570039   -7315.3659   0.18895302 
     759    15.589141   -7315.3658   0.18918604 
     760    15.616938   -7315.3658   0.18941851 
     761    15.636101   -7315.3657   0.18965044 
     762     15.65527   -7315.3656   0.18988182 
     763    15.674185   -7315.3656   0.19011264 
     764    15.693115   -7315.3655   0.19034292 
     765    15.712031   -7315.3655   0.19057265 
     766    15.731077   -7315.3654   0.19080182 
     767    15.750078   -7315.3654   0.19103044 
     768    15.769287   -7315.3653    0.1912585 
     769    15.788333   -7315.3652   0.19148601 
     770    15.815414   -7315.3652   0.19171296 
     771     15.83443   -7315.3651   0.19193934 
     772    15.853335   -7315.3651   0.19216517 
     773    15.872544    -7315.365   0.19239044 
     774    15.891509    -7315.365   0.19261514 
     775    15.910455   -7315.3649   0.19283927 
     776    15.929404   -7315.3648   0.19306284 
     777    15.948397   -7315.3648   0.19328584 
     778    15.967407   -7315.3647   0.19350828 
     779    15.986334   -7315.3647   0.19373014 
     780    16.013399   -7315.3646   0.19395143 
     781    16.032359   -7315.3645   0.19417215 
     782    16.051267   -7315.3645   0.19439229 
     783    16.070207   -7315.3644   0.19461186 
     784    16.089285   -7315.3644   0.19483084 
     785    16.108327   -7315.3643   0.19504925 
     786    16.127217   -7315.3643   0.19526708 
     787    16.146418   -7315.3642   0.19548433 
     788    16.165574   -7315.3641   0.19570099 
     789    16.184773   -7315.3641   0.19591706 
     790    16.212088    -7315.364   0.19613255 
     791    16.231197    -7315.364   0.19634745 
     792    16.250106   -7315.3639   0.19656175 
     793     16.26914   -7315.3639   0.19677546 
     794    16.288362   -7315.3638   0.19698857 
     795    16.307582   -7315.3637   0.19720108 
     796    16.326831   -7315.3637   0.19741299 
     797    16.345816   -7315.3636    0.1976243 
     798    16.365016   -7315.3636     0.197835 
     799    16.383974   -7315.3635   0.19804509 
     800    16.429457   -7315.3635   0.19825457 
     801     16.44862   -7315.3634   0.19846343 
     802    16.467608   -7315.3633   0.19867167 
     803    16.486555   -7315.3633   0.19887929 
     804    16.505489   -7315.3632   0.19908629 
     805    16.524621   -7315.3632   0.19929266 
     806    16.543692   -7315.3631    0.1994984 
     807    16.562825   -7315.3631    0.1997035 
     808    16.581854    -7315.363   0.19990796 
     809    16.600788   -7315.3629   0.20011178 
     810    16.627701   -7315.3629   0.20031496 
     811    16.646588   -7315.3628   0.20051749 
     812    16.665697   -7315.3628   0.20071936 
     813    16.684648   -7315.3627   0.20092058 
     814    16.703594   -7315.3626   0.20112113 
     815    16.722818   -7315.3626   0.20132103 
     816    16.741978   -7315.3625   0.20152025 
     817    16.760986   -7315.3625    0.2017188 
     818    16.779984   -7315.3624   0.20191667 
     819    16.799118   -7315.3624   0.20211386 
     820      16.8263   -7315.3623   0.20231036 
     821    16.845553   -7315.3622   0.20250618 
     822    16.864954   -7315.3622    0.2027013 
     823    16.884268   -7315.3621   0.20289573 
     824    16.903459   -7315.3621   0.20308946 
     825    16.922495    -7315.362   0.20328247 
     826    16.941627    -7315.362   0.20347478 
     827    16.960803   -7315.3619   0.20366638 
     828    16.980071   -7315.3618   0.20385726 
     829    16.999308   -7315.3618   0.20404742 
     830      17.0262   -7315.3617   0.20423685 
     831    17.045235   -7315.3617   0.20442555 
     832    17.064133   -7315.3616   0.20461352 
     833    17.083093   -7315.3616   0.20480075 
     834    17.102017   -7315.3615   0.20498725 
     835    17.120996   -7315.3614     0.205173 
     836    17.139901   -7315.3614     0.205358 
     837     17.15907   -7315.3613   0.20554225 
     838    17.177997   -7315.3613   0.20572574 
     839    17.197223   -7315.3612   0.20590848 
     840    17.224468   -7315.3612   0.20609045 
     841    17.243662   -7315.3611   0.20627166 
     842    17.263001    -7315.361    0.2064521 
     843    17.282404    -7315.361   0.20663177 
     844    17.301579   -7315.3609   0.20681066 
     845     17.32082   -7315.3609   0.20698878 
     846    17.340049   -7315.3608   0.20716611 
     847    17.359117   -7315.3608   0.20734266 
     848    17.378353   -7315.3607   0.20751842 
     849     17.39765   -7315.3606   0.20769339 
     850    17.443446   -7315.3606   0.20786757 
     851    17.463294   -7315.3605   0.20804095 
     852    17.482727   -7315.3605   0.20821353 
     853    17.502185   -7315.3604    0.2083853 
     854    17.521495   -7315.3604   0.20855628 
     855    17.540867   -7315.3603   0.20872644 
     856    17.560252   -7315.3602   0.20889579 
     857    17.579745   -7315.3602   0.20906433 
     858    17.599004   -7315.3601   0.20923205 
     859    17.618626   -7315.3601   0.20939895 
     860    17.645992     -7315.36   0.20956503 
     861    17.665157   -7315.3599   0.20973029 
     862    17.684302   -7315.3599   0.20989472 
     863     17.70353   -7315.3598   0.21005832 
     864    17.722694   -7315.3598   0.21022108 
     865    17.741712   -7315.3597   0.21038301 
     866    17.761069   -7315.3597   0.21054411 
     867    17.780086   -7315.3596   0.21070436 
     868    17.798971   -7315.3595   0.21086378 
     869     17.81804   -7315.3595   0.21102234 
     870    17.845231   -7315.3594   0.21118007 
     871    17.864308   -7315.3594   0.21133694 
     872    17.883326   -7315.3593   0.21149296 
     873    17.902508   -7315.3593   0.21164813 
     874    17.921543   -7315.3592   0.21180245 
     875    17.940635   -7315.3591    0.2119559 
     876    17.959632   -7315.3591    0.2121085 
     877    17.978615    -7315.359   0.21226024 
     878    17.997654    -7315.359   0.21241111 
     879    18.016698   -7315.3589   0.21256112 
     880    18.043879   -7315.3588   0.21271026 
     881    18.063193   -7315.3588   0.21285853 
     882    18.082366   -7315.3587   0.21300594 
     883    18.101469   -7315.3587   0.21315246 
     884    18.120602   -7315.3586   0.21329812 
     885    18.139791   -7315.3586    0.2134429 
     886    18.158974   -7315.3585    0.2135868 
     887    18.178113   -7315.3584   0.21372982 
     888    18.197161   -7315.3584   0.21387196 
     889    18.216521   -7315.3583   0.21401322 
     890    18.243646   -7315.3583   0.21415359 
     891    18.262677   -7315.3582   0.21429308 
     892    18.281839   -7315.3581   0.21443167 
     893    18.300928   -7315.3581   0.21456938 
     894    18.320105    -7315.358    0.2147062 
     895    18.339261    -7315.358   0.21484212 
     896    18.358159   -7315.3579   0.21497714 
     897    18.377266   -7315.3579   0.21511127 
     898    18.396412   -7315.3578    0.2152445 
     899    18.415596   -7315.3577   0.21537683 
     900    18.461248   -7315.3577   0.21550825 
     901    18.480451   -7315.3576   0.21563876 
     902    18.499647   -7315.3576   0.21576837 
     903    18.518825   -7315.3575   0.21589707 
     904    18.538025   -7315.3574   0.21602485 
     905    18.557183   -7315.3574   0.21615172 
     906    18.576312   -7315.3573   0.21627767 
     907     18.59552   -7315.3573    0.2164027 
     908    18.614709   -7315.3572   0.21652681 
     909    18.633955   -7315.3572   0.21664999 
     910    18.661065   -7315.3571   0.21677224 
     911    18.680179    -7315.357   0.21689356 
     912    18.699061    -7315.357   0.21701394 
     913    18.718336   -7315.3569   0.21713339 
     914     18.73735   -7315.3569   0.21725189 
     915    18.756466   -7315.3568   0.21736946 
     916    18.775627   -7315.3567   0.21748607 
     917    18.794877   -7315.3567   0.21760173 
     918    18.813959   -7315.3566   0.21771644 
     919    18.833135   -7315.3566   0.21783019 
     920    18.860477   -7315.3565   0.21794298 
     921    18.879801   -7315.3564    0.2180548 
     922    18.899054   -7315.3564   0.21816566 
     923    18.918125   -7315.3563   0.21827554 
     924    18.937243   -7315.3563   0.21838445 
     925    18.956377   -7315.3562   0.21849238 
     926    18.975639   -7315.3561   0.21859933 
     927    18.994689   -7315.3561   0.21870529 
     928     19.01373    -7315.356   0.21881025 
     929    19.033037    -7315.356   0.21891423 
     930    19.060503   -7315.3559    0.2190172 
     931    19.080122   -7315.3558   0.21911918 
     932    19.099722   -7315.3558   0.21922015 
     933    19.119111   -7315.3557   0.21932011 
     934    19.138812   -7315.3557   0.21941906 
     935    19.158369   -7315.3556   0.21951699 
     936    19.177379   -7315.3556    0.2196139 
     937    19.196466   -7315.3555   0.21970979 
     938    19.215691   -7315.3554   0.21980465 
     939    19.235033   -7315.3554   0.21989848 
     940    19.262133   -7315.3553   0.21999128 
     941    19.281176   -7315.3553   0.22008304 
     942    19.300346   -7315.3552   0.22017376 
     943    19.319367   -7315.3551   0.22026344 
     944    19.338294   -7315.3551   0.22035207 
     945     19.35722    -7315.355   0.22043965 
     946    19.376077    -7315.355   0.22052618 
     947    19.394983   -7315.3549   0.22061165 
     948    19.413817   -7315.3548   0.22069606 
     949    19.432723   -7315.3548   0.22077941 
     950    19.478093   -7315.3547    0.2208617 
     951    19.497418   -7315.3547   0.22094292 
     952    19.516572   -7315.3546   0.22102306 
     953    19.535964   -7315.3545   0.22110214 
     954    19.555311   -7315.3545   0.22118014 
     955    19.574763   -7315.3544   0.22125706 
     956    19.594197   -7315.3544    0.2213329 
     957    19.613595   -7315.3543   0.22140765 
     958    19.633094   -7315.3542   0.22148132 
     959    19.652629   -7315.3542   0.22155391 
     960    19.680302   -7315.3541    0.2216254 
     961    19.699927   -7315.3541    0.2216958 
     962    19.719062    -7315.354    0.2217651 
     963    19.738046   -7315.3539   0.22183331 
     964    19.757315   -7315.3539   0.22190042 
     965    19.776533   -7315.3538   0.22196643 
     966    19.795462   -7315.3538   0.22203133 
     967    19.814567   -7315.3537   0.22209513 
     968    19.833558   -7315.3536   0.22215783 
     969    19.852703   -7315.3536   0.22221941 
     970    19.879659   -7315.3535   0.22227989 
     971    19.898603   -7315.3535   0.22233925 
     972    19.917726   -7315.3534    0.2223975 
     973    19.936822   -7315.3533   0.22245464 
     974    19.955994   -7315.3533   0.22251066 
     975    19.975032   -7315.3532   0.22256556 
     976    19.994185   -7315.3532   0.22261935 
     977    20.013388   -7315.3531   0.22267201 
     978    20.032566    -7315.353   0.22272356 
     979    20.051608    -7315.353   0.22277398 
     980    20.078494   -7315.3529   0.22282328 
     981     20.09753   -7315.3529   0.22287146 
     982    20.116552   -7315.3528   0.22291852 
     983     20.13569   -7315.3527   0.22296445 
     984    20.154826   -7315.3527   0.22300925 
     985    20.174111   -7315.3526   0.22305293 
     986    20.193338   -7315.3526   0.22309548 
     987    20.212268   -7315.3525    0.2231369 
     988    20.231171   -7315.3524    0.2231772 
     989     20.25031   -7315.3524   0.22321637 
     990    20.277598   -7315.3523   0.22325442 
     991    20.297066   -7315.3523   0.22329133 
     992    20.316495   -7315.3522   0.22332712 
     993    20.336066   -7315.3521   0.22336179 
     994    20.355236   -7315.3521   0.22339532 
     995     20.37456    -7315.352   0.22342773 
     996    20.393788    -7315.352   0.22345901 
     997    20.413065   -7315.3519   0.22348916 
     998    20.432142   -7315.3518   0.22351819 
     999    20.451374   -7315.3518   0.22354609 
    1000    20.497102   -7315.3517   0.22357286 
Loop time of 20.4971 on 4 procs for 1000 steps with 1008 atoms

Pair  time (%) = 3.04551 (14.8582)
Neigh time (%) = 0.158295 (0.772279)
Comm  time (%) = 0.126693 (0.6181)
Outpt time (%) = 0.410083 (2.00069)
Other time (%) = 16.7565 (81.7507)

Nlocal:    252 ave 256 max 248 min
Histogram: 1 0 0 0 0 2 0 0 0 1
Nghost:    103 ave 140 max 68 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Neighs:    0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
FullNghs:  15183 ave 15624 max 14492 min
Histogram: 1 0 0 0 1 0 0 0 0 2

Total # of neighbors = 60732
Ave neighs/atom = 60.25
Neighbor list builds = 100
Dangerous builds = 0