LAMMPS (13 Oct 2016) # Monte Carlo relaxation of perturbed 2d hex lattice # set these parameters # make sure neigh skin > 2*deltamove variable iter loop 3000 # number of Monte Carlo moves variable deltaperturb equal 0.2 # max size of initial perturbation per dim variable deltamove equal 0.1 # max size of MC move in one dimension variable density equal 1.0 # reduced LJ density of atoms on lattice variable kT equal 0.05 # effective T in Boltzmann factor variable seed equal 582783 # RNG seed # problem setup units lj atom_style atomic atom_modify map array sort 0 0.0 dimension 2 lattice hex ${density} lattice hex 1 Lattice spacing in x,y,z = 1.07457 1.86121 1.07457 region box block 0 10 0 5 -0.5 0.5 create_box 1 box Created orthogonal box = (0 0 -0.537285) to (10.7457 9.30605 0.537285) 1 by 1 by 1 MPI processor grid create_atoms 1 box Created 100 atoms mass 1 1.0 pair_style lj/cut 2.5 pair_coeff 1 1 1.0 1.0 2.5 pair_modify shift yes neighbor 0.3 bin neigh_modify delay 0 every 1 check yes variable e equal pe # run 0 to get energy of perfect lattice # emin = minimum energy run 0 WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... 1 neighbor list requests update every 1 steps, delay 0 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 2.8 ghost atom cutoff = 2.8 binsize = 1.4 -> bins = 8 7 1 Memory usage per processor = 2.35582 Mbytes Step Temp E_pair E_mol TotEng Press 0 0 -2.9871562 0 -2.9871562 5.8100167 Loop time of 9.53674e-07 on 1 procs for 0 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 9.537e-07 | | |100.00 Nlocal: 100 ave 100 max 100 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 164 ave 164 max 164 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 900 ave 900 max 900 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 900 Ave neighs/atom = 9 Neighbor list builds = 0 Dangerous builds = 0 variable emin equal $e variable emin equal -2.98715616447945 # disorder the system # estart = initial energy variable x atom x+v_deltaperturb*random(-1.0,1.0,${seed}) variable x atom x+v_deltaperturb*random(-1.0,1.0,582783) variable y atom y+v_deltaperturb*random(-1.0,1.0,${seed}) variable y atom y+v_deltaperturb*random(-1.0,1.0,582783) set group all x v_x 100 settings made for x set group all y v_y 100 settings made for y #dump 1 all atom 25 dump.mc #dump 2 all image 25 image.*.jpg type type # zoom 1.6 adiam 1.0 #dump_modify 2 pad 5 #dump 3 all movie 25 movie.mpg type type # zoom 1.6 adiam 1.0 #dump_modify 3 pad 5 variable elast equal $e variable elast equal -2.98715616447945 thermo_style custom step v_emin v_elast pe run 0 WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Memory usage per processor = 2.35582 Mbytes Step v_emin v_elast PotEng 0 -2.9871562 -2.9871562 19.87543 Loop time of 0 on 1 procs for 0 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0 | | | 0.00 Nlocal: 100 ave 100 max 100 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 143 ave 143 max 143 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 1136 ave 1136 max 1136 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1136 Ave neighs/atom = 11.36 Neighbor list builds = 0 Dangerous builds = 0 variable estart equal $e variable estart equal 19.8754304552668 variable elast equal $e variable elast equal 19.8754304552668 # loop over Monte Carlo moves variable naccept equal 0 variable increment equal v_naccept+1 variable irandom equal floor(atoms*random(0.0,1.0,${seed})+1) variable irandom equal floor(atoms*random(0.0,1.0,582783)+1) variable rn equal random(0.0,1.0,${seed}) variable rn equal random(0.0,1.0,582783) variable boltzfactor equal "exp(atoms*(v_elast - v_e) / v_kT)" variable xnew equal x[v_i]+v_deltamove*random(-1.0,1.0,${seed}) variable xnew equal x[v_i]+v_deltamove*random(-1.0,1.0,582783) variable ynew equal y[v_i]+v_deltamove*random(-1.0,1.0,${seed}) variable ynew equal y[v_i]+v_deltamove*random(-1.0,1.0,582783) variable xi equal x[v_i] variable yi equal y[v_i] label loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.31983859300175 variable y0 equal ${yi} variable y0 equal 5.53878562395769 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.35001522063771 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.45133864824968 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 0 -2.9871562 19.87543 19.87543 1 -2.9871562 19.87543 19.875171 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 19.8751706852663 variable naccept equal ${increment} variable naccept equal 1 next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.09856477419243 variable y0 equal ${yi} variable y0 equal 7.42882086363101 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.02981423775063 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.522526231673 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1 -2.9871562 19.875171 19.875171 2 -2.9871562 19.875171 20.093202 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.09856477419243 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.42882086363101 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.719713945785428 variable y0 equal ${yi} variable y0 equal 2.71912268372872 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.722218807140256 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.76135655614236 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2 -2.9871562 19.875171 20.093202 3 -2.9871562 19.875171 19.883001 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.719713945785428 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.71912268372872 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 37 variable x0 equal ${xi} variable x0 equal 8.57807252564852 variable y0 equal ${yi} variable y0 equal 1.80887765071458 set atom $i x ${xnew} set atom 37 x ${xnew} set atom 37 x 8.51145575204317 1 settings made for x set atom $i y ${ynew} set atom 37 y ${ynew} set atom 37 y 1.77417989156312 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 3 -2.9871562 19.875171 19.883001 4 -2.9871562 19.875171 19.834909 Loop time of 3.88622e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 19.8349085700656 variable naccept equal ${increment} variable naccept equal 2 next iter jump SELF loop variable i equal ${irandom} variable i equal 10 variable x0 equal ${xi} variable x0 equal 4.92003243803321 variable y0 equal ${yi} variable y0 equal 0.999847026574939 set atom $i x ${xnew} set atom 10 x ${xnew} set atom 10 x 4.86377175688087 1 settings made for x set atom $i y ${ynew} set atom 10 y ${ynew} set atom 10 y 0.979123874414294 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 4 -2.9871562 19.834909 19.834909 5 -2.9871562 19.834909 19.816168 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 19.816167909403 variable naccept equal ${increment} variable naccept equal 3 next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.1098904760664 variable y0 equal ${yi} variable y0 equal 3.65244479937684 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 1.0444017084425 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.71522757573259 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 5 -2.9871562 19.816168 19.816168 6 -2.9871562 19.816168 19.778169 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 19.778168827336 variable naccept equal ${increment} variable naccept equal 4 next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.04925338942558 variable y0 equal ${yi} variable y0 equal 4.83641620034143 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.14046787936241 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.91141740435526 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 6 -2.9871562 19.778169 19.778169 7 -2.9871562 19.778169 19.724242 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 19.7242418002834 variable naccept equal ${increment} variable naccept equal 5 next iter jump SELF loop variable i equal ${irandom} variable i equal 62 variable x0 equal ${xi} variable x0 equal 0.691218562522794 variable y0 equal ${yi} variable y0 equal 6.6783623887681 set atom $i x ${xnew} set atom 62 x ${xnew} set atom 62 x 0.687206132808591 1 settings made for x set atom $i y ${ynew} set atom 62 y ${ynew} set atom 62 y 6.71973626152506 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 7 -2.9871562 19.724242 19.724242 8 -2.9871562 19.724242 19.728461 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 62 x ${x0} set atom 62 x 0.691218562522794 1 settings made for x set atom $i y ${y0} set atom 62 y ${y0} set atom 62 y 6.6783623887681 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 41 variable x0 equal ${xi} variable x0 equal 10.6696014960461 variable y0 equal ${yi} variable y0 equal 3.80356412692201 set atom $i x ${xnew} set atom 41 x ${xnew} set atom 41 x 10.6088752349072 1 settings made for x set atom $i y ${ynew} set atom 41 y ${ynew} set atom 41 y 3.8839279727472 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 8 -2.9871562 19.724242 19.728461 9 -2.9871562 19.724242 20.466811 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 41 x ${x0} set atom 41 x 10.6696014960461 1 settings made for x set atom $i y ${y0} set atom 41 y ${y0} set atom 41 y 3.80356412692201 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 73 variable x0 equal ${xi} variable x0 equal 6.54691466807443 variable y0 equal ${yi} variable y0 equal 5.42711579745012 set atom $i x ${xnew} set atom 73 x ${xnew} set atom 73 x 6.50041027783471 1 settings made for x set atom $i y ${ynew} set atom 73 y ${ynew} set atom 73 y 5.47833287661272 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 9 -2.9871562 19.724242 20.466811 10 -2.9871562 19.724242 19.599 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 19.5990001780311 variable naccept equal ${increment} variable naccept equal 6 next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.65866128086825 variable y0 equal ${yi} variable y0 equal 2.87525559636453 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.60067266106387 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.86601213189462 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 10 -2.9871562 19.599 19.599 11 -2.9871562 19.599 19.625342 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 24 x ${x0} set atom 24 x 1.65866128086825 1 settings made for x set atom $i y ${y0} set atom 24 y ${y0} set atom 24 y 2.87525559636453 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 3 variable x0 equal ${xi} variable x0 equal 0.899675980407526 variable y0 equal ${yi} variable y0 equal 0.0629464387893677 set atom $i x ${xnew} set atom 3 x ${xnew} set atom 3 x 0.885172382194331 1 settings made for x set atom $i y ${ynew} set atom 3 y ${ynew} set atom 3 y 0.0248975276947021 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 11 -2.9871562 19.599 19.625342 12 -2.9871562 19.599 19.596566 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 19.5965661780388 variable naccept equal ${increment} variable naccept equal 7 next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.91530903855011 variable y0 equal ${yi} variable y0 equal 1.11940745900902 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.93296931067154 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 1.16690846275124 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 12 -2.9871562 19.596566 19.596566 13 -2.9871562 19.596566 19.619881 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.91530903855011 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 1.11940745900902 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.31418604373056 variable y0 equal ${yi} variable y0 equal 0.0189682483673096 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.27208027361947 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y 0.072885262966156 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 13 -2.9871562 19.596566 19.619881 14 -2.9871562 19.596566 19.713104 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.31418604373056 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 0.0189682483673096 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.3520849827787 variable y0 equal ${yi} variable y0 equal 6.4551667644166 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.4168390993139 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.54333410994044 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 14 -2.9871562 19.596566 19.713104 15 -2.9871562 19.596566 19.585059 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 19.585058825033 variable naccept equal ${increment} variable naccept equal 8 next iter jump SELF loop variable i equal ${irandom} variable i equal 17 variable x0 equal ${xi} variable x0 equal 8.55511315026705 variable y0 equal ${yi} variable y0 equal 9.1494782041344 set atom $i x ${xnew} set atom 17 x ${xnew} set atom 17 x 8.59039665618364 1 settings made for x set atom $i y ${ynew} set atom 17 y ${ynew} set atom 17 y 9.09379884708255 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 15 -2.9871562 19.585059 19.585059 16 -2.9871562 19.585059 19.670395 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 17 x ${x0} set atom 17 x 8.55511315026705 1 settings made for x set atom $i y ${y0} set atom 17 y ${y0} set atom 17 y 9.1494782041344 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.87383556564284 variable y0 equal ${yi} variable y0 equal 1.03382689546379 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.83154005010558 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 1.03624491285118 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 16 -2.9871562 19.585059 19.670395 17 -2.9871562 19.585059 19.251621 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 19.2516210599203 variable naccept equal ${increment} variable naccept equal 9 next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 5.01025660871802 variable y0 equal ${yi} variable y0 equal 6.54333757893076 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.92266065716086 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.62030437723627 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 17 -2.9871562 19.251621 19.251621 18 -2.9871562 19.251621 19.291111 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 5.01025660871802 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.54333757893076 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.53573410709334 variable y0 equal ${yi} variable y0 equal 4.500105766 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.57122090061141 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.51594142073557 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 18 -2.9871562 19.251621 19.291111 19 -2.9871562 19.251621 19.124928 Loop time of 3.91006e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 19.1249278346859 variable naccept equal ${increment} variable naccept equal 10 next iter jump SELF loop variable i equal ${irandom} variable i equal 75 variable x0 equal ${xi} variable x0 equal 7.39024022657644 variable y0 equal ${yi} variable y0 equal 5.48026459162432 set atom $i x ${xnew} set atom 75 x ${xnew} set atom 75 x 7.43141517479192 1 settings made for x set atom $i y ${ynew} set atom 75 y ${ynew} set atom 75 y 5.56478210632998 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 19 -2.9871562 19.124928 19.124928 20 -2.9871562 19.124928 19.070456 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 19.0704555558795 variable naccept equal ${increment} variable naccept equal 11 next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 7.0883078245227 variable y0 equal ${yi} variable y0 equal 8.34910107769069 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 7.05518697777435 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.4427619925886 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 20 -2.9871562 19.070456 19.070456 21 -2.9871562 19.070456 19.073796 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 7.0883078245227 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.34910107769069 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.30100279251004 variable y0 equal ${yi} variable y0 equal 7.47468527879977 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.23512814441587 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.4514672311809 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 21 -2.9871562 19.070456 19.073796 22 -2.9871562 19.070456 19.11176 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.30100279251004 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.47468527879977 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.99629238485633 variable y0 equal ${yi} variable y0 equal 2.89414590569833 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 5.01660313247977 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.96598122092584 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 22 -2.9871562 19.070456 19.11176 23 -2.9871562 19.070456 19.117671 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 30 x ${x0} set atom 30 x 4.99629238485633 1 settings made for x set atom $i y ${y0} set atom 30 y ${y0} set atom 30 y 2.89414590569833 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.22011345068322 variable y0 equal ${yi} variable y0 equal 5.54479777758318 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.14360496441231 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.58843240683275 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 23 -2.9871562 19.070456 19.117671 24 -2.9871562 19.070456 19.074151 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.22011345068322 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.54479777758318 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.2201821148286 variable y0 equal ${yi} variable y0 equal 8.21731802143153 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.16465403436519 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.25818215526637 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 24 -2.9871562 19.070456 19.074151 25 -2.9871562 19.070456 18.515789 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 18.5157889451195 variable naccept equal ${increment} variable naccept equal 12 next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.57122090061141 variable y0 equal ${yi} variable y0 equal 4.51594142073557 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.47387929161025 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.48001798743174 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 25 -2.9871562 18.515789 18.515789 26 -2.9871562 18.515789 19.13036 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.57122090061141 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.51594142073557 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 33 variable x0 equal ${xi} variable x0 equal 6.35441081046182 variable y0 equal ${yi} variable y0 equal 2.03853301189011 set atom $i x ${xnew} set atom 33 x ${xnew} set atom 33 x 6.40621244429666 1 settings made for x set atom $i y ${ynew} set atom 33 y ${ynew} set atom 33 y 2.0462150373227 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 26 -2.9871562 18.515789 19.13036 27 -2.9871562 18.515789 17.937864 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 17.937864254582 variable naccept equal ${increment} variable naccept equal 13 next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.30100279251004 variable y0 equal ${yi} variable y0 equal 7.47468527879977 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.29210563102628 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.44114682998919 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 27 -2.9871562 17.937864 17.937864 28 -2.9871562 17.937864 17.956965 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.30100279251004 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.47468527879977 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.14046787936241 variable y0 equal ${yi} variable y0 equal 4.91141740435526 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.21031779963524 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.89201650971338 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 28 -2.9871562 17.937864 17.956965 29 -2.9871562 17.937864 17.932203 Loop time of 8.10623e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 17.9322028336925 variable naccept equal ${increment} variable naccept equal 14 next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.71809613902999 variable y0 equal ${yi} variable y0 equal 6.45324923531046 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.65725789268447 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.50960343615046 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 29 -2.9871562 17.932203 17.932203 30 -2.9871562 17.932203 17.93442 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 66 x ${x0} set atom 66 x 2.71809613902999 1 settings made for x set atom $i y ${y0} set atom 66 y ${y0} set atom 66 y 6.45324923531046 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.76917257507277 variable y0 equal ${yi} variable y0 equal 2.98904126855233 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.86858709056807 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 2.95837806435922 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 30 -2.9871562 17.932203 17.93442 31 -2.9871562 17.932203 18.035828 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 26 x ${x0} set atom 26 x 2.76917257507277 1 settings made for x set atom $i y ${y0} set atom 26 y ${y0} set atom 26 y 2.98904126855233 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.52707438865567 variable y0 equal ${yi} variable y0 equal 1.99075993678635 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.47277832427884 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 2.00024406097001 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 31 -2.9871562 17.932203 18.035828 32 -2.9871562 17.932203 17.784445 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 17.7844447623833 variable naccept equal ${increment} variable naccept equal 15 next iter jump SELF loop variable i equal ${irandom} variable i equal 98 variable x0 equal ${xi} variable x0 equal 9.06676752287895 variable y0 equal ${yi} variable y0 equal 8.34106284297999 set atom $i x ${xnew} set atom 98 x ${xnew} set atom 98 x 9.1440482588485 1 settings made for x set atom $i y ${ynew} set atom 98 y ${ynew} set atom 98 y 8.36340260423716 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 32 -2.9871562 17.784445 17.784445 33 -2.9871562 17.784445 17.692888 Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms 2383.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 17.6928883978573 variable naccept equal ${increment} variable naccept equal 16 next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.27723546424772 variable y0 equal ${yi} variable y0 equal 9.22775135743945 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y 9.3120599697861 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 33 -2.9871562 17.692888 17.692888 34 -2.9871562 17.692888 17.679107 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 17.6791071684474 variable naccept equal ${increment} variable naccept equal 17 next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.74866355538149 variable y0 equal ${yi} variable y0 equal 0.808928366411059 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.79875581145068 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.772582419622272 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 34 -2.9871562 17.679107 17.679107 35 -2.9871562 17.679107 19.412672 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.74866355538149 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.808928366411059 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.30660796562101 variable y0 equal ${yi} variable y0 equal 5.55641617720324 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.37099469104673 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.65502952282625 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 35 -2.9871562 17.679107 19.412672 36 -2.9871562 17.679107 17.564301 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 17.5643012965518 variable naccept equal ${increment} variable naccept equal 18 next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 6.09745645482532 variable y0 equal ${yi} variable y0 equal 6.65534045235148 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 6.07316641767017 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.61742822662821 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 36 -2.9871562 17.564301 17.564301 37 -2.9871562 17.564301 17.084321 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 17.0843208121854 variable naccept equal ${increment} variable naccept equal 19 next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.01283839343883 variable y0 equal ${yi} variable y0 equal 6.39706618324747 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 8.07761350272991 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.34006187454691 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 37 -2.9871562 17.084321 17.084321 38 -2.9871562 17.084321 18.06914 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 76 x ${x0} set atom 76 x 8.01283839343883 1 settings made for x set atom $i y ${y0} set atom 76 y ${y0} set atom 76 y 6.39706618324747 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 38 variable x0 equal ${xi} variable x0 equal 9.32428281027824 variable y0 equal ${yi} variable y0 equal 2.640500294889 set atom $i x ${xnew} set atom 38 x ${xnew} set atom 38 x 9.38390898425133 1 settings made for x set atom $i y ${ynew} set atom 38 y ${ynew} set atom 38 y 2.55098098489144 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 38 -2.9871562 17.084321 18.06914 39 -2.9871562 17.084321 18.393968 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 38 x ${x0} set atom 38 x 9.32428281027824 1 settings made for x set atom $i y ${y0} set atom 38 y ${y0} set atom 38 y 2.640500294889 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.31418604373056 variable y0 equal ${yi} variable y0 equal 0.0189682483673096 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.29888965605814 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y 0.0863850116729737 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 39 -2.9871562 17.084321 18.393968 40 -2.9871562 17.084321 17.191907 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.31418604373056 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 0.0189682483673096 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.05527156868621 variable y0 equal ${yi} variable y0 equal 4.53311400765344 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.02028425017044 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.49638266915247 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 40 -2.9871562 17.084321 17.191907 41 -2.9871562 17.084321 17.115815 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.05527156868621 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.53311400765344 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 12 variable x0 equal ${xi} variable x0 equal 5.8571848150014 variable y0 equal ${yi} variable y0 equal 0.822012730348437 set atom $i x ${xnew} set atom 12 x ${xnew} set atom 12 x 5.86131451089374 1 settings made for x set atom $i y ${ynew} set atom 12 y ${ynew} set atom 12 y 0.740698393094867 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 41 -2.9871562 17.084321 17.115815 42 -2.9871562 17.084321 17.252873 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 12 x ${x0} set atom 12 x 5.8571848150014 1 settings made for x set atom $i y ${y0} set atom 12 y ${y0} set atom 12 y 0.822012730348437 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.31418604373056 variable y0 equal ${yi} variable y0 equal 0.0189682483673096 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.31983832835275 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y -0.0248208999633789 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 42 -2.9871562 17.084321 17.252873 43 -2.9871562 17.084321 17.066264 Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms 2383.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 17.0662643354193 variable naccept equal ${increment} variable naccept equal 20 next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.91530903855011 variable y0 equal ${yi} variable y0 equal 1.11940745900902 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.85535389462158 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 1.0833966691378 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 43 -2.9871562 17.066264 17.066264 44 -2.9871562 17.066264 17.057026 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 17.057026355521 variable naccept equal ${increment} variable naccept equal 21 next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.84272302905207 variable y0 equal ${yi} variable y0 equal 8.33777378715571 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.79234360972529 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.42946973957118 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 44 -2.9871562 17.057026 17.057026 45 -2.9871562 17.057026 16.843591 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 16.8435907942567 variable naccept equal ${increment} variable naccept equal 22 next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.20307075738469 variable y0 equal ${yi} variable y0 equal 9.20901408899158 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.16256167649785 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y 9.14184566247791 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 45 -2.9871562 16.843591 16.843591 46 -2.9871562 16.843591 18.617009 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 7 x ${x0} set atom 7 x 3.20307075738469 1 settings made for x set atom $i y ${y0} set atom 7 y ${y0} set atom 7 y 9.20901408899158 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 0.921552959281733 variable y0 equal ${yi} variable y0 equal 7.62894815531039 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 0.896000686485102 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.60953246679568 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 46 -2.9871562 16.843591 18.617009 47 -2.9871562 16.843591 16.445061 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 16.4450605937769 variable naccept equal ${increment} variable naccept equal 23 next iter jump SELF loop variable i equal ${irandom} variable i equal 35 variable x0 equal ${xi} variable x0 equal 7.41438506681692 variable y0 equal ${yi} variable y0 equal 1.98046206615037 set atom $i x ${xnew} set atom 35 x ${xnew} set atom 35 x 7.39196330148946 1 settings made for x set atom $i y ${ynew} set atom 35 y ${ynew} set atom 35 y 2.04386005780762 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 47 -2.9871562 16.445061 16.445061 48 -2.9871562 16.445061 17.257636 Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms 2383.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 35 x ${x0} set atom 35 x 7.41438506681692 1 settings made for x set atom $i y ${y0} set atom 35 y ${y0} set atom 35 y 1.98046206615037 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.21031779963524 variable y0 equal ${yi} variable y0 equal 4.89201650971338 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.19671131093056 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.96256972903177 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 48 -2.9871562 16.445061 17.257636 49 -2.9871562 16.445061 16.489479 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 58 x ${x0} set atom 58 x 9.21031779963524 1 settings made for x set atom $i y ${y0} set atom 58 y ${y0} set atom 58 y 4.89201650971338 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 63 variable x0 equal ${xi} variable x0 equal 1.02839840968304 variable y0 equal ${yi} variable y0 equal 5.71279270594316 set atom $i x ${xnew} set atom 63 x ${xnew} set atom 63 x 0.976716128188898 1 settings made for x set atom $i y ${ynew} set atom 63 y ${ynew} set atom 63 y 5.65420879070955 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 49 -2.9871562 16.445061 16.489479 50 -2.9871562 16.445061 16.408654 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 16.4086538722685 variable naccept equal ${increment} variable naccept equal 24 next iter jump SELF loop variable i equal ${irandom} variable i equal 93 variable x0 equal ${xi} variable x0 equal 6.37631308554727 variable y0 equal ${yi} variable y0 equal 7.36138624277377 set atom $i x ${xnew} set atom 93 x ${xnew} set atom 93 x 6.39294121979791 1 settings made for x set atom $i y ${ynew} set atom 93 y ${ynew} set atom 93 y 7.42644421186709 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 50 -2.9871562 16.408654 16.408654 51 -2.9871562 16.408654 16.122104 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 16.1221040480217 variable naccept equal ${increment} variable naccept equal 25 next iter jump SELF loop variable i equal ${irandom} variable i equal 36 variable x0 equal ${xi} variable x0 equal 7.9432972490678 variable y0 equal ${yi} variable y0 equal 2.61277595731118 set atom $i x ${xnew} set atom 36 x ${xnew} set atom 36 x 8.01059742568828 1 settings made for x set atom $i y ${ynew} set atom 36 y ${ynew} set atom 36 y 2.53279972049096 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 51 -2.9871562 16.122104 16.122104 52 -2.9871562 16.122104 16.135223 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 36 x ${x0} set atom 36 x 7.9432972490678 1 settings made for x set atom $i y ${y0} set atom 36 y ${y0} set atom 36 y 2.61277595731118 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.72210182467585 variable y0 equal ${yi} variable y0 equal 2.743234502996 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.71409282008296 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.80584219666818 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 52 -2.9871562 16.122104 16.135223 53 -2.9871562 16.122104 16.055103 Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms 2380.7% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 16.0551027060988 variable naccept equal ${increment} variable naccept equal 26 next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.52176420846407 variable y0 equal ${yi} variable y0 equal 5.75549187605577 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.50292923608248 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.70168124382692 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 53 -2.9871562 16.055103 16.055103 54 -2.9871562 16.055103 15.919408 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 15.9194082271283 variable naccept equal ${increment} variable naccept equal 27 next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.1794071558973 variable y0 equal ${yi} variable y0 equal 2.92664810391763 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.1943303588887 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.96711560460427 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 54 -2.9871562 15.919408 15.919408 55 -2.9871562 15.919408 16.097649 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.1794071558973 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.92664810391763 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.70685690521975 variable y0 equal ${yi} variable y0 equal 4.57956161850854 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.61105832934161 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.50049876326486 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 55 -2.9871562 15.919408 16.097649 56 -2.9871562 15.919408 15.829413 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 15.8294126732767 variable naccept equal ${increment} variable naccept equal 28 next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 6.07316641767017 variable y0 equal ${yi} variable y0 equal 6.61742822662821 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 6.05597597320072 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.6133103562974 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 56 -2.9871562 15.829413 15.829413 57 -2.9871562 15.829413 15.808217 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 15.808217339173 variable naccept equal ${increment} variable naccept equal 29 next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.36135188181173 variable y0 equal ${yi} variable y0 equal 0.154561471939087 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.40439954836141 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y 0.238874340057373 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 57 -2.9871562 15.808217 15.808217 58 -2.9871562 15.808217 15.864804 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.36135188181173 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.154561471939087 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.05527156868621 variable y0 equal ${yi} variable y0 equal 4.53311400765344 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.01640323677703 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.60422450655862 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 58 -2.9871562 15.808217 15.864804 59 -2.9871562 15.808217 15.817571 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.05527156868621 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.53311400765344 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.2862324360868 variable y0 equal ${yi} variable y0 equal 4.57200613373682 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.1877771977445 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.48406249636575 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 59 -2.9871562 15.808217 15.817571 60 -2.9871562 15.808217 15.700676 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 15.7006759604578 variable naccept equal ${increment} variable naccept equal 30 next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.17682720501634 variable y0 equal ${yi} variable y0 equal 1.78538526675767 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.16004684050294 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.69950210235184 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 60 -2.9871562 15.700676 15.700676 61 -2.9871562 15.700676 16.255007 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.17682720501634 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.78538526675767 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.99629238485633 variable y0 equal ${yi} variable y0 equal 2.89414590569833 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 4.92452969192802 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.87330106469491 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 61 -2.9871562 15.700676 16.255007 62 -2.9871562 15.700676 15.678683 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 15.6786834685776 variable naccept equal ${increment} variable naccept equal 31 next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.48253180264112 variable y0 equal ${yi} variable y0 equal 1.83061694285935 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.39330142019865 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.86790424964493 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 62 -2.9871562 15.678683 15.678683 63 -2.9871562 15.678683 16.142272 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 39 x ${x0} set atom 39 x 9.48253180264112 1 settings made for x set atom $i y ${y0} set atom 39 y ${y0} set atom 39 y 1.83061694285935 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.50235789218808 variable y0 equal ${yi} variable y0 equal 3.73372400565278 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.59728396335508 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.82835243506563 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 63 -2.9871562 15.678683 16.142272 64 -2.9871562 15.678683 16.399166 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 51 x ${x0} set atom 51 x 5.50235789218808 1 settings made for x set atom $i y ${y0} set atom 51 y ${y0} set atom 51 y 3.73372400565278 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.50292923608248 variable y0 equal ${yi} variable y0 equal 5.70168124382692 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.50696252742235 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.69319788162904 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 64 -2.9871562 15.678683 16.399166 65 -2.9871562 15.678683 15.653887 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 15.6538869035135 variable naccept equal ${increment} variable naccept equal 32 next iter jump SELF loop variable i equal ${irandom} variable i equal 23 variable x0 equal ${xi} variable x0 equal 1.22457233985119 variable y0 equal ${yi} variable y0 equal 1.83873361728257 set atom $i x ${xnew} set atom 23 x ${xnew} set atom 23 x 1.28295802195721 1 settings made for x set atom $i y ${ynew} set atom 23 y ${ynew} set atom 23 y 1.93527294776505 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 65 -2.9871562 15.653887 15.653887 66 -2.9871562 15.653887 15.791721 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 23 x ${x0} set atom 23 x 1.22457233985119 1 settings made for x set atom $i y ${y0} set atom 23 y ${y0} set atom 23 y 1.83873361728257 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 84 variable x0 equal ${xi} variable x0 equal 1.69912415623446 variable y0 equal ${yi} variable y0 equal 8.28526519455012 set atom $i x ${xnew} set atom 84 x ${xnew} set atom 84 x 1.60833325266619 1 settings made for x set atom $i y ${ynew} set atom 84 y ${ynew} set atom 84 y 8.19496456302699 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 66 -2.9871562 15.653887 15.791721 67 -2.9871562 15.653887 15.746238 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 84 x ${x0} set atom 84 x 1.69912415623446 1 settings made for x set atom $i y ${y0} set atom 84 y ${y0} set atom 84 y 8.28526519455012 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.20307075738469 variable y0 equal ${yi} variable y0 equal 9.20901408899158 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.22592073440114 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y 9.17865097034305 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 67 -2.9871562 15.653887 15.746238 68 -2.9871562 15.653887 15.88039 Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms 2383.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 7 x ${x0} set atom 7 x 3.20307075738469 1 settings made for x set atom $i y ${y0} set atom 7 y ${y0} set atom 7 y 9.20901408899158 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.47277832427884 variable y0 equal ${yi} variable y0 equal 2.00024406097001 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.44531484046842 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 2.01137088916367 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 68 -2.9871562 15.653887 15.88039 69 -2.9871562 15.653887 15.619008 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 15.6190081436482 variable naccept equal ${increment} variable naccept equal 33 next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.54015185116407 variable y0 equal ${yi} variable y0 equal 0.168617224693298 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.45775363920805 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.216169250011444 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 69 -2.9871562 15.619008 15.619008 70 -2.9871562 15.619008 15.74545 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.54015185116407 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.168617224693298 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.597638221183683 variable y0 equal ${yi} variable y0 equal 0.891803069818347 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.572734029689695 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.878126867521136 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 70 -2.9871562 15.619008 15.74545 71 -2.9871562 15.619008 15.661858 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.597638221183683 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.891803069818347 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.79234360972529 variable y0 equal ${yi} variable y0 equal 8.42946973957118 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.74200649777537 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.32967373050746 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 71 -2.9871562 15.619008 15.661858 72 -2.9871562 15.619008 15.544182 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 15.5441819243733 variable naccept equal ${increment} variable naccept equal 34 next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.0444017084425 variable y0 equal ${yi} variable y0 equal 3.71522757573259 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 1.04860306103878 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.65718537135255 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 72 -2.9871562 15.544182 15.544182 73 -2.9871562 15.544182 15.549793 Loop time of 4.22001e-05 on 1 procs for 1 steps with 100 atoms 2369.7% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 43 x ${x0} set atom 43 x 1.0444017084425 1 settings made for x set atom $i y ${y0} set atom 43 y ${y0} set atom 43 y 3.71522757573259 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.53735357362997 variable y0 equal ${yi} variable y0 equal 7.25324172106051 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.54873728592168 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.27825465526843 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 73 -2.9871562 15.544182 15.549793 74 -2.9871562 15.544182 15.346422 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 15.3464223960326 variable naccept equal ${increment} variable naccept equal 35 next iter jump SELF loop variable i equal ${irandom} variable i equal 35 variable x0 equal ${xi} variable x0 equal 7.41438506681692 variable y0 equal ${yi} variable y0 equal 1.98046206615037 set atom $i x ${xnew} set atom 35 x ${xnew} set atom 35 x 7.35008210975897 1 settings made for x set atom $i y ${ynew} set atom 35 y ${ynew} set atom 35 y 1.97732270143098 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 74 -2.9871562 15.346422 15.346422 75 -2.9871562 15.346422 15.331607 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 15.3316072264054 variable naccept equal ${increment} variable naccept equal 36 next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.15227542518474 variable y0 equal ${yi} variable y0 equal 4.80270715111658 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.21343764661648 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.89761152619287 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 75 -2.9871562 15.331607 15.331607 76 -2.9871562 15.331607 15.513652 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 56 x ${x0} set atom 56 x 8.15227542518474 1 settings made for x set atom $i y ${y0} set atom 56 y ${y0} set atom 56 y 4.80270715111658 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.80754771192066 variable y0 equal ${yi} variable y0 equal 8.45637873329219 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.87912615497104 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.41373176492747 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 76 -2.9871562 15.331607 15.513652 77 -2.9871562 15.331607 15.318751 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 15.3187511886141 variable naccept equal ${increment} variable naccept equal 37 next iter jump SELF loop variable i equal ${irandom} variable i equal 63 variable x0 equal ${xi} variable x0 equal 0.976716128188898 variable y0 equal ${yi} variable y0 equal 5.65420879070955 set atom $i x ${xnew} set atom 63 x ${xnew} set atom 63 x 0.887988367873957 1 settings made for x set atom $i y ${ynew} set atom 63 y ${ynew} set atom 63 y 5.60655434076982 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 77 -2.9871562 15.318751 15.318751 78 -2.9871562 15.318751 15.314358 Loop time of 8.60691e-05 on 1 procs for 1 steps with 100 atoms 1161.9% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 15.314358370265 variable naccept equal ${increment} variable naccept equal 38 next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 6.00016524751178 variable y0 equal ${yi} variable y0 equal 2.67780595990518 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 6.06487773616306 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.61280487748483 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 78 -2.9871562 15.314358 15.314358 79 -2.9871562 15.314358 19.512471 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 32 x ${x0} set atom 32 x 6.00016524751178 1 settings made for x set atom $i y ${y0} set atom 32 y ${y0} set atom 32 y 2.67780595990518 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.17682720501634 variable y0 equal ${yi} variable y0 equal 1.78538526675767 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.16316989739152 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.7050789870984 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 79 -2.9871562 15.314358 19.512471 80 -2.9871562 15.314358 15.784741 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.17682720501634 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.78538526675767 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.31983832835275 variable y0 equal ${yi} variable y0 equal 9.28122769105762 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.21995478390771 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y 9.22031201827853 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 80 -2.9871562 15.314358 15.784741 81 -2.9871562 15.314358 15.462076 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.31983832835275 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 9.28122769105762 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.57876513162081 variable y0 equal ${yi} variable y0 equal 7.53226324644351 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.51479177632753 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.56551697578692 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 81 -2.9871562 15.314358 15.462076 82 -2.9871562 15.314358 15.746913 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 97 x ${x0} set atom 97 x 8.57876513162081 1 settings made for x set atom $i y ${y0} set atom 97 y ${y0} set atom 97 y 7.53226324644351 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.17682720501634 variable y0 equal ${yi} variable y0 equal 1.78538526675767 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.2623671062729 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.85691285512513 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 82 -2.9871562 15.314358 15.746913 83 -2.9871562 15.314358 14.971079 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 14.9710790303358 variable naccept equal ${increment} variable naccept equal 39 next iter jump SELF loop variable i equal ${irandom} variable i equal 86 variable x0 equal ${xi} variable x0 equal 2.8703564425273 variable y0 equal ${yi} variable y0 equal 8.50065911926326 set atom $i x ${xnew} set atom 86 x ${xnew} set atom 86 x 2.8279687305255 1 settings made for x set atom $i y ${ynew} set atom 86 y ${ynew} set atom 86 y 8.59655821241435 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 83 -2.9871562 14.971079 14.971079 84 -2.9871562 14.971079 16.13744 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 86 x ${x0} set atom 86 x 2.8703564425273 1 settings made for x set atom $i y ${y0} set atom 86 y ${y0} set atom 86 y 8.50065911926326 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.01283839343883 variable y0 equal ${yi} variable y0 equal 6.39706618324747 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 7.94544293283321 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.48969872728815 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 84 -2.9871562 14.971079 16.13744 85 -2.9871562 14.971079 15.234046 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 76 x ${x0} set atom 76 x 8.01283839343883 1 settings made for x set atom $i y ${y0} set atom 76 y ${y0} set atom 76 y 6.39706618324747 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 81 variable x0 equal ${xi} variable x0 equal 10.5731039603405 variable y0 equal ${yi} variable y0 equal 7.57943922605776 set atom $i x ${xnew} set atom 81 x ${xnew} set atom 81 x 10.6470764477902 1 settings made for x set atom $i y ${ynew} set atom 81 y ${ynew} set atom 81 y 7.51150325861239 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 85 -2.9871562 14.971079 15.234046 86 -2.9871562 14.971079 13.371714 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 13.3717143943283 variable naccept equal ${increment} variable naccept equal 40 next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.01283839343883 variable y0 equal ${yi} variable y0 equal 6.39706618324747 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 7.951291269053 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.39620396629801 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 86 -2.9871562 13.371714 13.371714 87 -2.9871562 13.371714 13.507722 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 76 x ${x0} set atom 76 x 8.01283839343883 1 settings made for x set atom $i y ${y0} set atom 76 y ${y0} set atom 76 y 6.39706618324747 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 0.0309651374816895 variable y0 equal ${yi} variable y0 equal 1.96139423034257 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x 0.123249912261963 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 2.03073950192994 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 87 -2.9871562 13.371714 13.507722 88 -2.9871562 13.371714 13.432287 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 21 x ${x0} set atom 21 x 0.0309651374816895 1 settings made for x set atom $i y ${y0} set atom 21 y ${y0} set atom 21 y 1.96139423034257 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.36135188181173 variable y0 equal ${yi} variable y0 equal 0.154561471939087 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.29896671612035 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y 0.125383043289185 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 88 -2.9871562 13.371714 13.432287 89 -2.9871562 13.371714 13.37654 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.36135188181173 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.154561471939087 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.54873728592168 variable y0 equal ${yi} variable y0 equal 7.27825465526843 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.50556490261327 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.29452756967807 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 89 -2.9871562 13.371714 13.37654 90 -2.9871562 13.371714 13.396668 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 95 x ${x0} set atom 95 x 7.54873728592168 1 settings made for x set atom $i y ${y0} set atom 95 y ${y0} set atom 95 y 7.27825465526843 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.74200649777537 variable y0 equal ${yi} variable y0 equal 8.32967373050746 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.80932480612879 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.37676050581035 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 90 -2.9871562 13.371714 13.396668 91 -2.9871562 13.371714 13.481318 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.74200649777537 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.32967373050746 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.61105832934161 variable y0 equal ${yi} variable y0 equal 4.50049876326486 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.65689190506717 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.55132408493921 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 91 -2.9871562 13.371714 13.481318 92 -2.9871562 13.371714 13.384102 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.61105832934161 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.50049876326486 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.15227542518474 variable y0 equal ${yi} variable y0 equal 4.80270715111658 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.09806734918453 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.89080031269953 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 92 -2.9871562 13.371714 13.384102 93 -2.9871562 13.371714 13.451122 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 56 x ${x0} set atom 56 x 8.15227542518474 1 settings made for x set atom $i y ${y0} set atom 56 y ${y0} set atom 56 y 4.80270715111658 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.28054653485032 variable y0 equal ${yi} variable y0 equal 7.33721760835909 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.35654126484605 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.29389964666628 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 93 -2.9871562 13.371714 13.451122 94 -2.9871562 13.371714 13.36252 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 13.3625195456059 variable naccept equal ${increment} variable naccept equal 41 next iter jump SELF loop variable i equal ${irandom} variable i equal 41 variable x0 equal ${xi} variable x0 equal 10.6696014960461 variable y0 equal ${yi} variable y0 equal 3.80356412692201 set atom $i x ${xnew} set atom 41 x ${xnew} set atom 41 x 10.6815487464123 1 settings made for x set atom $i y ${ynew} set atom 41 y ${ynew} set atom 41 y 3.78250859542024 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 94 -2.9871562 13.36252 13.36252 95 -2.9871562 13.36252 13.276398 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 13.2763982745436 variable naccept equal ${increment} variable naccept equal 42 next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.13949825524846 variable y0 equal ${yi} variable y0 equal 3.73067882819307 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.20205316304722 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.68541614575517 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 95 -2.9871562 13.276398 13.276398 96 -2.9871562 13.276398 13.304984 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.13949825524846 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.73067882819307 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.64088147520362 variable y0 equal ${yi} variable y0 equal 8.33223794616755 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.66856847643195 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.24330494321879 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 96 -2.9871562 13.276398 13.304984 97 -2.9871562 13.276398 13.245349 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 13.2453493073179 variable naccept equal ${increment} variable naccept equal 43 next iter jump SELF loop variable i equal ${irandom} variable i equal 73 variable x0 equal ${xi} variable x0 equal 6.50041027783471 variable y0 equal ${yi} variable y0 equal 5.47833287661272 set atom $i x ${xnew} set atom 73 x ${xnew} set atom 73 x 6.43841152905541 1 settings made for x set atom $i y ${ynew} set atom 73 y ${ynew} set atom 73 y 5.38113276903826 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 97 -2.9871562 13.245349 13.245349 98 -2.9871562 13.245349 13.304411 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 73 x ${x0} set atom 73 x 6.50041027783471 1 settings made for x set atom $i y ${y0} set atom 73 y ${y0} set atom 73 y 5.47833287661272 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 62 variable x0 equal ${xi} variable x0 equal 0.691218562522794 variable y0 equal ${yi} variable y0 equal 6.6783623887681 set atom $i x ${xnew} set atom 62 x ${xnew} set atom 62 x 0.688873763481046 1 settings made for x set atom $i y ${ynew} set atom 62 y ${ynew} set atom 62 y 6.59225244060984 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 98 -2.9871562 13.245349 13.304411 99 -2.9871562 13.245349 13.245751 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 62 x ${x0} set atom 62 x 0.691218562522794 1 settings made for x set atom $i y ${y0} set atom 62 y ${y0} set atom 62 y 6.6783623887681 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.86882879058009 variable y0 equal ${yi} variable y0 equal 4.49039562100336 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.82950385132914 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.44320981854364 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 99 -2.9871562 13.245349 13.245751 100 -2.9871562 13.245349 13.872909 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.86882879058009 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.49039562100336 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.94675312637188 variable y0 equal ${yi} variable y0 equal 0.975284381616443 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.85483614801265 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 0.935654624212115 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 100 -2.9871562 13.245349 13.872909 101 -2.9871562 13.245349 13.281114 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.94675312637188 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.975284381616443 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.4168390993139 variable y0 equal ${yi} variable y0 equal 6.54333410994044 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.4814478401205 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.59063038364878 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 101 -2.9871562 13.245349 13.281114 102 -2.9871562 13.245349 13.293205 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.4168390993139 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.54333410994044 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.22011345068322 variable y0 equal ${yi} variable y0 equal 5.54479777758318 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.12992211023675 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.55094037001329 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 102 -2.9871562 13.245349 13.293205 103 -2.9871562 13.245349 13.242379 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 13.242379165856 variable naccept equal ${increment} variable naccept equal 44 next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.3339799050351 variable y0 equal ${yi} variable y0 equal 0.744276662576526 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.4212697986623 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.796889229524463 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 103 -2.9871562 13.242379 13.242379 104 -2.9871562 13.242379 13.349733 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 20 x ${x0} set atom 20 x 10.3339799050351 1 settings made for x set atom $i y ${y0} set atom 20 y ${y0} set atom 20 y 0.744276662576526 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 82 variable x0 equal ${xi} variable x0 equal 0.594766421714689 variable y0 equal ${yi} variable y0 equal 8.21549125827845 set atom $i x ${xnew} set atom 82 x ${xnew} set atom 82 x 0.527979464927579 1 settings made for x set atom $i y ${ynew} set atom 82 y ${ynew} set atom 82 y 8.19242875494059 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 104 -2.9871562 13.242379 13.349733 105 -2.9871562 13.242379 12.461034 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 12.4610338734105 variable naccept equal ${increment} variable naccept equal 45 next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.419449497847 variable y0 equal ${yi} variable y0 equal 3.62166059775483 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.40479648271028 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.54822523160112 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 105 -2.9871562 12.461034 12.461034 106 -2.9871562 12.461034 12.467421 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.419449497847 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.62166059775483 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.54873728592168 variable y0 equal ${yi} variable y0 equal 7.27825465526843 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.53773168165456 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.2000207456615 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 106 -2.9871562 12.461034 12.467421 107 -2.9871562 12.461034 13.307672 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 95 x ${x0} set atom 95 x 7.54873728592168 1 settings made for x set atom $i y ${y0} set atom 95 y ${y0} set atom 95 y 7.27825465526843 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.44531484046842 variable y0 equal ${yi} variable y0 equal 2.01137088916367 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.42411584058668 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 2.07943400523728 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 107 -2.9871562 12.461034 13.307672 108 -2.9871562 12.461034 12.605924 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 31 x ${x0} set atom 31 x 5.44531484046842 1 settings made for x set atom $i y ${y0} set atom 31 y ${y0} set atom 31 y 2.01137088916367 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.59410093903323 variable y0 equal ${yi} variable y0 equal 6.46312946812144 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.64847751736422 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.37148375050059 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 108 -2.9871562 12.461034 12.605924 109 -2.9871562 12.461034 12.45495 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 12.4549496864804 variable naccept equal ${increment} variable naccept equal 46 next iter jump SELF loop variable i equal ${irandom} variable i equal 73 variable x0 equal ${xi} variable x0 equal 6.50041027783471 variable y0 equal ${yi} variable y0 equal 5.47833287661272 set atom $i x ${xnew} set atom 73 x ${xnew} set atom 73 x 6.54533034085351 1 settings made for x set atom $i y ${ynew} set atom 73 y ${ynew} set atom 73 y 5.50049914066988 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 109 -2.9871562 12.45495 12.45495 110 -2.9871562 12.45495 12.50259 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 73 x ${x0} set atom 73 x 6.50041027783471 1 settings made for x set atom $i y ${y0} set atom 73 y ${y0} set atom 73 y 5.47833287661272 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 81 variable x0 equal ${xi} variable x0 equal 10.6470764477902 variable y0 equal ${yi} variable y0 equal 7.51150325861239 set atom $i x ${xnew} set atom 81 x ${xnew} set atom 81 x 10.6754496176892 1 settings made for x set atom $i y ${ynew} set atom 81 y ${ynew} set atom 81 y 7.60846348133349 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 110 -2.9871562 12.45495 12.50259 111 -2.9871562 12.45495 13.081006 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 81 x ${x0} set atom 81 x 10.6470764477902 1 settings made for x set atom $i y ${y0} set atom 81 y ${y0} set atom 81 y 7.51150325861239 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 0.896000686485102 variable y0 equal ${yi} variable y0 equal 7.60953246679568 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 0.985528353053858 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.55206439819598 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 111 -2.9871562 12.45495 13.081006 112 -2.9871562 12.45495 9.9091407 Loop time of 4.48227e-05 on 1 procs for 1 steps with 100 atoms 2231.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 9.90914065684474 variable naccept equal ${increment} variable naccept equal 47 next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.1877771977445 variable y0 equal ${yi} variable y0 equal 4.48406249636575 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.2380439404508 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.52093809002801 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 112 -2.9871562 9.9091407 9.9091407 113 -2.9871562 9.9091407 9.9497806 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 60 x ${x0} set atom 60 x 10.1877771977445 1 settings made for x set atom $i y ${y0} set atom 60 y ${y0} set atom 60 y 4.48406249636575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.14111500421868 variable y0 equal ${yi} variable y0 equal 1.98998316905564 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.06427707115517 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.93772786042756 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 113 -2.9871562 9.9091407 9.9497806 114 -2.9871562 9.9091407 10.064562 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.14111500421868 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.98998316905564 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 41 variable x0 equal ${xi} variable x0 equal 10.6815487464123 variable y0 equal ${yi} variable y0 equal 3.78250859542024 set atom $i x ${xnew} set atom 41 x ${xnew} set atom 41 x 10.6216757496052 1 settings made for x set atom $i y ${ynew} set atom 41 y ${ynew} set atom 41 y 3.83365273041856 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 114 -2.9871562 9.9091407 10.064562 115 -2.9871562 9.9091407 10.360792 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 41 x ${x0} set atom 41 x 10.6815487464123 1 settings made for x set atom $i y ${y0} set atom 41 y ${y0} set atom 41 y 3.78250859542024 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.597638221183683 variable y0 equal ${yi} variable y0 equal 0.891803069818347 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.52676308909979 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.823071666467517 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 115 -2.9871562 9.9091407 10.360792 116 -2.9871562 9.9091407 10.239801 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.597638221183683 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.891803069818347 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 0.985528353053858 variable y0 equal ${yi} variable y0 equal 7.55206439819598 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.04383342583828 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.5002349170711 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 116 -2.9871562 9.9091407 10.239801 117 -2.9871562 9.9091407 9.5402972 Loop time of 8.08239e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 9.54029724373944 variable naccept equal ${increment} variable naccept equal 48 next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.01283839343883 variable y0 equal ${yi} variable y0 equal 6.39706618324747 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 8.07909467815258 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.35858189598551 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 117 -2.9871562 9.5402972 9.5402972 118 -2.9871562 9.5402972 9.8183664 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 76 x ${x0} set atom 76 x 8.01283839343883 1 settings made for x set atom $i y ${y0} set atom 76 y ${y0} set atom 76 y 6.39706618324747 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 79 variable x0 equal ${xi} variable x0 equal 9.71175088165876 variable y0 equal ${yi} variable y0 equal 5.71374509279924 set atom $i x ${xnew} set atom 79 x ${xnew} set atom 79 x 9.79798826454756 1 settings made for x set atom $i y ${ynew} set atom 79 y ${ynew} set atom 79 y 5.67971620505053 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 118 -2.9871562 9.5402972 9.8183664 119 -2.9871562 9.5402972 9.8492529 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 79 x ${x0} set atom 79 x 9.71175088165876 1 settings made for x set atom $i y ${y0} set atom 79 y ${y0} set atom 79 y 5.71374509279924 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.37099469104673 variable y0 equal ${yi} variable y0 equal 5.65502952282625 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.41478751102354 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.59315191452699 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 119 -2.9871562 9.5402972 9.8492529 120 -2.9871562 9.5402972 9.4768991 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 9.4768990790871 variable naccept equal ${increment} variable naccept equal 49 next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.54015185116407 variable y0 equal ${yi} variable y0 equal 0.168617224693298 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.56837063311216 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.265781927108764 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 120 -2.9871562 9.4768991 9.4768991 121 -2.9871562 9.4768991 9.6308359 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.54015185116407 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.168617224693298 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.35271770715275 variable y0 equal ${yi} variable y0 equal 1.94840015552109 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.27988629102269 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 1.9303872742421 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 121 -2.9871562 9.4768991 9.6308359 122 -2.9871562 9.4768991 9.3889772 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 9.38897721078508 variable naccept equal ${increment} variable naccept equal 50 next iter jump SELF loop variable i equal ${irandom} variable i equal 23 variable x0 equal ${xi} variable x0 equal 1.22457233985119 variable y0 equal ${yi} variable y0 equal 1.83873361728257 set atom $i x ${xnew} set atom 23 x ${xnew} set atom 23 x 1.15621249993496 1 settings made for x set atom $i y ${ynew} set atom 23 y ${ynew} set atom 23 y 1.78515173575944 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 122 -2.9871562 9.3889772 9.3889772 123 -2.9871562 9.3889772 9.3524938 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 9.35249384206181 variable naccept equal ${increment} variable naccept equal 51 next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.46731475670548 variable y0 equal ${yi} variable y0 equal 5.64477279131609 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.37933925469132 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.58286277001101 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 123 -2.9871562 9.3524938 9.3524938 124 -2.9871562 9.3524938 9.3251733 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 9.32517327292235 variable naccept equal ${increment} variable naccept equal 52 next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.87912615497104 variable y0 equal ${yi} variable y0 equal 8.41373176492747 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.83310471732608 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.3484317771345 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 124 -2.9871562 9.3251733 9.3251733 125 -2.9871562 9.3251733 9.3137238 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 9.31372376133017 variable naccept equal ${increment} variable naccept equal 53 next iter jump SELF loop variable i equal ${irandom} variable i equal 37 variable x0 equal ${xi} variable x0 equal 8.51145575204317 variable y0 equal ${yi} variable y0 equal 1.77417989156312 set atom $i x ${xnew} set atom 37 x ${xnew} set atom 37 x 8.49052609363024 1 settings made for x set atom $i y ${ynew} set atom 37 y ${ynew} set atom 37 y 1.73099848411149 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 125 -2.9871562 9.3137238 9.3137238 126 -2.9871562 9.3137238 9.3387396 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 37 x ${x0} set atom 37 x 8.51145575204317 1 settings made for x set atom $i y ${y0} set atom 37 y ${y0} set atom 37 y 1.77417989156312 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 37 variable x0 equal ${xi} variable x0 equal 8.51145575204317 variable y0 equal ${yi} variable y0 equal 1.77417989156312 set atom $i x ${xnew} set atom 37 x ${xnew} set atom 37 x 8.47753489175264 1 settings made for x set atom $i y ${ynew} set atom 37 y ${ynew} set atom 37 y 1.75162885568208 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 126 -2.9871562 9.3137238 9.3387396 127 -2.9871562 9.3137238 9.3215941 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 37 x ${x0} set atom 37 x 8.51145575204317 1 settings made for x set atom $i y ${y0} set atom 37 y ${y0} set atom 37 y 1.77417989156312 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 41 variable x0 equal ${xi} variable x0 equal 10.6815487464123 variable y0 equal ${yi} variable y0 equal 3.78250859542024 set atom $i x ${xnew} set atom 41 x ${xnew} set atom 41 x 10.6481216033154 1 settings made for x set atom $i y ${ynew} set atom 41 y ${ynew} set atom 41 y 3.81310667557847 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 127 -2.9871562 9.3137238 9.3215941 128 -2.9871562 9.3137238 9.5050169 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 41 x ${x0} set atom 41 x 10.6815487464123 1 settings made for x set atom $i y ${y0} set atom 41 y ${y0} set atom 41 y 3.78250859542024 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.2401395205518 variable y0 equal ${yi} variable y0 equal 8.23530813373622 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.2719170216581 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.16867905773219 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 128 -2.9871562 9.3137238 9.5050169 129 -2.9871562 9.3137238 10.073652 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 100 x ${x0} set atom 100 x 10.2401395205518 1 settings made for x set atom $i y ${y0} set atom 100 y ${y0} set atom 100 y 8.23530813373622 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.54015185116407 variable y0 equal ${yi} variable y0 equal 0.168617224693298 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.46655616043684 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.227990245819091 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 129 -2.9871562 9.3137238 10.073652 130 -2.9871562 9.3137238 9.4593093 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.54015185116407 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.168617224693298 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.597638221183683 variable y0 equal ${yi} variable y0 equal 0.891803069818347 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.606322498718168 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.941124983537524 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 130 -2.9871562 9.3137238 9.4593093 131 -2.9871562 9.3137238 9.251533 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 9.2515329646073 variable naccept equal ${increment} variable naccept equal 54 next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.71409282008296 variable y0 equal ${yi} variable y0 equal 2.80584219666818 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.64134437361842 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.87343476983407 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 131 -2.9871562 9.251533 9.251533 132 -2.9871562 9.251533 9.3419648 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.71409282008296 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.80584219666818 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.4168390993139 variable y0 equal ${yi} variable y0 equal 6.54333410994044 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.5049234632513 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.4448203875207 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 132 -2.9871562 9.251533 9.3419648 133 -2.9871562 9.251533 9.271343 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.4168390993139 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.54333410994044 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 0.066135311126709 variable y0 equal ${yi} variable y0 equal 0.139699840545654 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 0.0268441557884216 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 0.0427583456039429 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 133 -2.9871562 9.251533 9.271343 134 -2.9871562 9.251533 8.6541619 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 8.65416194569174 variable naccept equal ${increment} variable naccept equal 55 next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.05527156868621 variable y0 equal ${yi} variable y0 equal 4.53311400765344 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.06535048762008 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.46345469111368 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 134 -2.9871562 8.6541619 8.6541619 135 -2.9871562 8.6541619 8.7218577 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.05527156868621 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.53311400765344 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 81 variable x0 equal ${xi} variable x0 equal 10.6470764477902 variable y0 equal ${yi} variable y0 equal 7.51150325861239 set atom $i x ${xnew} set atom 81 x ${xnew} set atom 81 x 10.641802700346 1 settings made for x set atom $i y ${ynew} set atom 81 y ${ynew} set atom 81 y 7.50461242523455 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 135 -2.9871562 8.6541619 8.7218577 136 -2.9871562 8.6541619 8.6617212 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 81 x ${x0} set atom 81 x 10.6470764477902 1 settings made for x set atom $i y ${y0} set atom 81 y ${y0} set atom 81 y 7.51150325861239 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.13949825524846 variable y0 equal ${yi} variable y0 equal 3.73067882819307 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.10655145406285 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.63133331103456 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 136 -2.9871562 8.6541619 8.6617212 137 -2.9871562 8.6541619 10.001498 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.13949825524846 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.73067882819307 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 7.08713871517822 variable y0 equal ${yi} variable y0 equal 2.7411466714988 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 7.0394436744754 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.83307024213174 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 137 -2.9871562 8.6541619 10.001498 138 -2.9871562 8.6541619 8.2886706 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 8.28867060874022 variable naccept equal ${increment} variable naccept equal 56 next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.36135188181173 variable y0 equal ${yi} variable y0 equal 0.154561471939087 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.44501340229284 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y 0.0728780150413514 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 138 -2.9871562 8.2886706 8.2886706 139 -2.9871562 8.2886706 8.278468 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 8.27846801230653 variable naccept equal ${increment} variable naccept equal 57 next iter jump SELF loop variable i equal ${irandom} variable i equal 86 variable x0 equal ${xi} variable x0 equal 2.8703564425273 variable y0 equal ${yi} variable y0 equal 8.50065911926326 set atom $i x ${xnew} set atom 86 x ${xnew} set atom 86 x 2.94478988845778 1 settings made for x set atom $i y ${ynew} set atom 86 y ${ynew} set atom 86 y 8.48998140014705 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 139 -2.9871562 8.278468 8.278468 140 -2.9871562 8.278468 8.7749947 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 86 x ${x0} set atom 86 x 2.8703564425273 1 settings made for x set atom $i y ${y0} set atom 86 y ${y0} set atom 86 y 8.50065911926326 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 42 variable x0 equal ${xi} variable x0 equal 0.389929051795865 variable y0 equal ${yi} variable y0 equal 4.66520722264215 set atom $i x ${xnew} set atom 42 x ${xnew} set atom 42 x 0.316682513156797 1 settings made for x set atom $i y ${ynew} set atom 42 y ${ynew} set atom 42 y 4.62680411690637 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 140 -2.9871562 8.278468 8.7749947 141 -2.9871562 8.278468 8.3937123 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 42 x ${x0} set atom 42 x 0.389929051795865 1 settings made for x set atom $i y ${y0} set atom 42 y ${y0} set atom 42 y 4.66520722264215 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 81 variable x0 equal ${xi} variable x0 equal 10.6470764477902 variable y0 equal ${yi} variable y0 equal 7.51150325861239 set atom $i x ${xnew} set atom 81 x ${xnew} set atom 81 x 10.6813830812626 1 settings made for x set atom $i y ${ynew} set atom 81 y ${ynew} set atom 81 y 7.44148362007403 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 141 -2.9871562 8.278468 8.3937123 142 -2.9871562 8.278468 7.9824733 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 7.98247329251231 variable naccept equal ${increment} variable naccept equal 58 next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.41063080866109 variable y0 equal ${yi} variable y0 equal 3.65039785666597 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.38310707647573 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.65719100995195 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 142 -2.9871562 7.9824733 7.9824733 143 -2.9871562 7.9824733 7.9971831 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 55 x ${x0} set atom 55 x 7.41063080866109 1 settings made for x set atom $i y ${y0} set atom 55 y ${y0} set atom 55 y 3.65039785666597 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.74200649777537 variable y0 equal ${yi} variable y0 equal 8.32967373050746 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.70020593920832 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.34872350610789 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 143 -2.9871562 7.9824733 7.9971831 144 -2.9871562 7.9824733 8.0803193 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.74200649777537 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.32967373050746 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.13253129164086 variable y0 equal ${yi} variable y0 equal 3.65379038615358 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.17428057829247 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.74710704846513 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 144 -2.9871562 7.9824733 8.0803193 145 -2.9871562 7.9824733 8.056944 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.13253129164086 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.65379038615358 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.41478751102354 variable y0 equal ${yi} variable y0 equal 5.59315191452699 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.45365178981688 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.53061765377717 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 145 -2.9871562 7.9824733 8.056944 146 -2.9871562 7.9824733 7.9762075 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 7.97620745706615 variable naccept equal ${increment} variable naccept equal 59 next iter jump SELF loop variable i equal ${irandom} variable i equal 12 variable x0 equal ${xi} variable x0 equal 5.8571848150014 variable y0 equal ${yi} variable y0 equal 0.822012730348437 set atom $i x ${xnew} set atom 12 x ${xnew} set atom 12 x 5.84693380553714 1 settings made for x set atom $i y ${ynew} set atom 12 y ${ynew} set atom 12 y 0.812763066995471 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 146 -2.9871562 7.9762075 7.9762075 147 -2.9871562 7.9762075 7.983808 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 12 x ${x0} set atom 12 x 5.8571848150014 1 settings made for x set atom $i y ${y0} set atom 12 y ${y0} set atom 12 y 0.822012730348437 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 7.0883078245227 variable y0 equal ${yi} variable y0 equal 8.34910107769069 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 7.1804837969844 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.27973550476131 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 147 -2.9871562 7.9762075 7.983808 148 -2.9871562 7.9762075 7.9940035 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 7.0883078245227 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.34910107769069 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.31294931887704 variable y0 equal ${yi} variable y0 equal 3.57663958830964 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.34927348612863 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.632499070598 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 148 -2.9871562 7.9762075 7.9940035 149 -2.9871562 7.9762075 7.8605288 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 7.86052884369097 variable naccept equal ${increment} variable naccept equal 60 next iter jump SELF loop variable i equal ${irandom} variable i equal 38 variable x0 equal ${xi} variable x0 equal 9.32428281027824 variable y0 equal ${yi} variable y0 equal 2.640500294889 set atom $i x ${xnew} set atom 38 x ${xnew} set atom 38 x 9.26134668309242 1 settings made for x set atom $i y ${ynew} set atom 38 y ${ynew} set atom 38 y 2.72465627166131 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 149 -2.9871562 7.8605288 7.8605288 150 -2.9871562 7.8605288 7.6199238 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 7.61992377997629 variable naccept equal ${increment} variable naccept equal 61 next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.4168390993139 variable y0 equal ${yi} variable y0 equal 6.54333410994044 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.4842599514982 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.47453133598796 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 150 -2.9871562 7.6199238 7.6199238 151 -2.9871562 7.6199238 7.6124742 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 7.61247421731637 variable naccept equal ${increment} variable naccept equal 62 next iter jump SELF loop variable i equal ${irandom} variable i equal 49 variable x0 equal ${xi} variable x0 equal 4.26689134915086 variable y0 equal ${yi} variable y0 equal 3.89899247450959 set atom $i x ${xnew} set atom 49 x ${xnew} set atom 49 x 4.2583212502739 1 settings made for x set atom $i y ${ynew} set atom 49 y ${ynew} set atom 49 y 3.85637448592317 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 151 -2.9871562 7.6124742 7.6124742 152 -2.9871562 7.6124742 6.7176999 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 6.71769991674919 variable naccept equal ${increment} variable naccept equal 63 next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.1877771977445 variable y0 equal ${yi} variable y0 equal 4.48406249636575 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.1148146752378 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.54698911065027 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 152 -2.9871562 6.7176999 6.7176999 153 -2.9871562 6.7176999 6.5885707 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 6.58857067003851 variable naccept equal ${increment} variable naccept equal 64 next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 9.10574056822807 variable y0 equal ${yi} variable y0 equal 0.999771710145801 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 9.06512876469643 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 1.07313531230721 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 153 -2.9871562 6.5885707 6.5885707 154 -2.9871562 6.5885707 6.7092425 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 9.10574056822807 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.999771710145801 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.64847751736422 variable y0 equal ${yi} variable y0 equal 6.37148375050059 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.69907911896487 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.46656938330165 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 154 -2.9871562 6.5885707 6.7092425 155 -2.9871562 6.5885707 6.569668 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 6.56966796496351 variable naccept equal ${increment} variable naccept equal 65 next iter jump SELF loop variable i equal ${irandom} variable i equal 50 variable x0 equal ${xi} variable x0 equal 4.95269535421668 variable y0 equal ${yi} variable y0 equal 4.50253551358148 set atom $i x ${xnew} set atom 50 x ${xnew} set atom 50 x 4.86371581196128 1 settings made for x set atom $i y ${ynew} set atom 50 y ${ynew} set atom 50 y 4.53917918557092 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 155 -2.9871562 6.569668 6.569668 156 -2.9871562 6.569668 6.5832275 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 50 x ${x0} set atom 50 x 4.95269535421668 1 settings made for x set atom $i y ${y0} set atom 50 y ${y0} set atom 50 y 4.50253551358148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.13949825524846 variable y0 equal ${yi} variable y0 equal 3.73067882819307 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.10165440797368 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.82401231093538 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 156 -2.9871562 6.569668 6.5832275 157 -2.9871562 6.569668 6.4989235 Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms 2383.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 6.49892351165672 variable naccept equal ${increment} variable naccept equal 66 next iter jump SELF loop variable i equal ${irandom} variable i equal 36 variable x0 equal ${xi} variable x0 equal 7.9432972490678 variable y0 equal ${yi} variable y0 equal 2.61277595731118 set atom $i x ${xnew} set atom 36 x ${xnew} set atom 36 x 7.96994642614223 1 settings made for x set atom $i y ${ynew} set atom 36 y ${ynew} set atom 36 y 2.56691586943963 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 157 -2.9871562 6.4989235 6.4989235 158 -2.9871562 6.4989235 6.5294712 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 36 x ${x0} set atom 36 x 7.9432972490678 1 settings made for x set atom $i y ${y0} set atom 36 y ${y0} set atom 36 y 2.61277595731118 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.05527156868621 variable y0 equal ${yi} variable y0 equal 4.53311400765344 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.02884636202499 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.55055095309183 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 158 -2.9871562 6.4989235 6.5294712 159 -2.9871562 6.4989235 6.5027062 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.05527156868621 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.53311400765344 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.01163879076348 variable y0 equal ${yi} variable y0 equal 0.112708401679993 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 2.00558659473763 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y 0.0534018158912659 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 159 -2.9871562 6.4989235 6.5027062 160 -2.9871562 6.4989235 5.7934843 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 5.7934842511674 variable naccept equal ${increment} variable naccept equal 67 next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.37933925469132 variable y0 equal ${yi} variable y0 equal 5.58286277001101 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.29014420588227 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.67163884585101 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 160 -2.9871562 5.7934843 5.7934843 161 -2.9871562 5.7934843 5.8148542 Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.37933925469132 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.58286277001101 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.20307075738469 variable y0 equal ${yi} variable y0 equal 9.20901408899158 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.24925089835683 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y 9.24181336868137 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 161 -2.9871562 5.7934843 5.8148542 162 -2.9871562 5.7934843 5.452196 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 5.45219604394413 variable naccept equal ${increment} variable naccept equal 68 next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.00558659473763 variable y0 equal ${yi} variable y0 equal 0.0534018158912659 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 1.93844582477913 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y -0.0216168642044067 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 162 -2.9871562 5.452196 5.452196 163 -2.9871562 5.452196 5.1864344 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 5.18643436112833 variable naccept equal ${increment} variable naccept equal 69 next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.37933925469132 variable y0 equal ${yi} variable y0 equal 5.58286277001101 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.36483755190583 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.56349997465807 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 163 -2.9871562 5.1864344 5.1864344 164 -2.9871562 5.1864344 5.1880759 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.37933925469132 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.58286277001101 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.76917257507277 variable y0 equal ${yi} variable y0 equal 2.98904126855233 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.84191374977065 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 3.08111939402917 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 164 -2.9871562 5.1864344 5.1880759 165 -2.9871562 5.1864344 5.7067693 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 26 x ${x0} set atom 26 x 2.76917257507277 1 settings made for x set atom $i y ${y0} set atom 26 y ${y0} set atom 26 y 2.98904126855233 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.27988629102269 variable y0 equal ${yi} variable y0 equal 1.9303872742421 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.31377582311192 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 1.92442210099762 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 165 -2.9871562 5.1864344 5.7067693 166 -2.9871562 5.1864344 5.2468263 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 27 x ${x0} set atom 27 x 3.27988629102269 1 settings made for x set atom $i y ${y0} set atom 27 y ${y0} set atom 27 y 1.9303872742421 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.2623671062729 variable y0 equal ${yi} variable y0 equal 1.85691285512513 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.20794894774171 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.76940361640519 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 166 -2.9871562 5.1864344 5.2468263 167 -2.9871562 5.1864344 5.3657686 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.2623671062729 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.85691285512513 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.57122090061141 variable y0 equal ${yi} variable y0 equal 4.51594142073557 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.64665825565291 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.58244173878595 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 167 -2.9871562 5.1864344 5.3657686 168 -2.9871562 5.1864344 5.1191323 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 5.11913227430673 variable naccept equal ${increment} variable naccept equal 70 next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.66856847643195 variable y0 equal ${yi} variable y0 equal 8.24330494321879 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.65372233032523 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.34208905614909 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 168 -2.9871562 5.1191323 5.1191323 169 -2.9871562 5.1191323 5.1347954 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.66856847643195 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.24330494321879 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.74866355538149 variable y0 equal ${yi} variable y0 equal 0.808928366411059 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.7506712782361 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.888538749921649 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 169 -2.9871562 5.1191323 5.1347954 170 -2.9871562 5.1191323 4.9851256 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 4.98512562316554 variable naccept equal ${increment} variable naccept equal 71 next iter jump SELF loop variable i equal ${irandom} variable i equal 75 variable x0 equal ${xi} variable x0 equal 7.43141517479192 variable y0 equal ${yi} variable y0 equal 5.56478210632998 set atom $i x ${xnew} set atom 75 x ${xnew} set atom 75 x 7.46527759868871 1 settings made for x set atom $i y ${ynew} set atom 75 y ${ynew} set atom 75 y 5.66414418165881 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 170 -2.9871562 4.9851256 4.9851256 171 -2.9871562 4.9851256 5.0353119 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 75 x ${x0} set atom 75 x 7.43141517479192 1 settings made for x set atom $i y ${y0} set atom 75 y ${y0} set atom 75 y 5.56478210632998 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 6.00016524751178 variable y0 equal ${yi} variable y0 equal 2.67780595990518 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 6.01838682849399 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.77655899497369 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 171 -2.9871562 4.9851256 5.0353119 172 -2.9871562 4.9851256 4.1697129 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 4.16971292478467 variable naccept equal ${increment} variable naccept equal 72 next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.94675312637188 variable y0 equal ${yi} variable y0 equal 0.975284381616443 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.87170137761929 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 0.90712811540398 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 172 -2.9871562 4.1697129 4.1697129 173 -2.9871562 4.1697129 4.1941642 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.94675312637188 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.975284381616443 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.1794071558973 variable y0 equal ${yi} variable y0 equal 2.92664810391763 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.2262481812498 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.83032892915109 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 173 -2.9871562 4.1697129 4.1941642 174 -2.9871562 4.1697129 3.7792308 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 3.77923081220118 variable naccept equal ${increment} variable naccept equal 73 next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.09856477419243 variable y0 equal ${yi} variable y0 equal 7.42882086363101 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.1927025858532 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.48242353525424 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 174 -2.9871562 3.7792308 3.7792308 175 -2.9871562 3.7792308 3.8188701 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.09856477419243 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.42882086363101 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.24925089835683 variable y0 equal ${yi} variable y0 equal 9.24181336868137 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.24398106097737 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y 9.15158544290393 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 175 -2.9871562 3.7792308 3.8188701 176 -2.9871562 3.7792308 4.5887558 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 7 x ${x0} set atom 7 x 3.24925089835683 1 settings made for x set atom $i y ${y0} set atom 7 y ${y0} set atom 7 y 9.24181336868137 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.86882879058009 variable y0 equal ${yi} variable y0 equal 4.49039562100336 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.91969899455195 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.4667519962208 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 176 -2.9871562 3.7792308 4.5887558 177 -2.9871562 3.7792308 5.27178 Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms 2383.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.86882879058009 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.49039562100336 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 82 variable x0 equal ${xi} variable x0 equal 0.527979464927579 variable y0 equal ${yi} variable y0 equal 8.19242875494059 set atom $i x ${xnew} set atom 82 x ${xnew} set atom 82 x 0.552063866058255 1 settings made for x set atom $i y ${ynew} set atom 82 y ${ynew} set atom 82 y 8.20312803901728 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 177 -2.9871562 3.7792308 5.27178 178 -2.9871562 3.7792308 3.7809116 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 82 x ${x0} set atom 82 x 0.527979464927579 1 settings made for x set atom $i y ${y0} set atom 82 y ${y0} set atom 82 y 8.19242875494059 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 8 variable x0 equal ${xi} variable x0 equal 3.64581083575373 variable y0 equal ${yi} variable y0 equal 1.1294338900927 set atom $i x ${xnew} set atom 8 x ${xnew} set atom 8 x 3.55103544512873 1 settings made for x set atom $i y ${ynew} set atom 8 y ${ynew} set atom 8 y 1.2142546017054 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 178 -2.9871562 3.7792308 3.7809116 179 -2.9871562 3.7792308 5.3788278 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 8 x ${x0} set atom 8 x 3.64581083575373 1 settings made for x set atom $i y ${y0} set atom 8 y ${y0} set atom 8 y 1.1294338900927 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.83310471732608 variable y0 equal ${yi} variable y0 equal 8.3484317771345 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.87745822627536 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.36964200653132 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 179 -2.9871562 3.7792308 5.3788278 180 -2.9871562 3.7792308 3.7801645 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.83310471732608 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.3484317771345 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.41063080866109 variable y0 equal ${yi} variable y0 equal 3.65039785666597 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.37125514585744 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.68198650641573 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 180 -2.9871562 3.7792308 3.7801645 181 -2.9871562 3.7792308 3.7977142 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 55 x ${x0} set atom 55 x 7.41063080866109 1 settings made for x set atom $i y ${y0} set atom 55 y ${y0} set atom 55 y 3.65039785666597 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.83310471732608 variable y0 equal ${yi} variable y0 equal 8.3484317771345 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.93238850791446 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.38342529453334 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 181 -2.9871562 3.7792308 3.7977142 182 -2.9871562 3.7792308 3.7890571 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.83310471732608 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.3484317771345 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 63 variable x0 equal ${xi} variable x0 equal 0.887988367873957 variable y0 equal ${yi} variable y0 equal 5.60655434076982 set atom $i x ${xnew} set atom 63 x ${xnew} set atom 63 x 0.987933591205408 1 settings made for x set atom $i y ${ynew} set atom 63 y ${ynew} set atom 63 y 5.5415678853293 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 182 -2.9871562 3.7792308 3.7890571 183 -2.9871562 3.7792308 3.7757095 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 3.77570947809346 variable naccept equal ${increment} variable naccept equal 74 next iter jump SELF loop variable i equal ${irandom} variable i equal 49 variable x0 equal ${xi} variable x0 equal 4.2583212502739 variable y0 equal ${yi} variable y0 equal 3.85637448592317 set atom $i x ${xnew} set atom 49 x ${xnew} set atom 49 x 4.3481036551735 1 settings made for x set atom $i y ${ynew} set atom 49 y ${ynew} set atom 49 y 3.91077196164262 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 183 -2.9871562 3.7757095 3.7757095 184 -2.9871562 3.7757095 3.7932452 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 49 x ${x0} set atom 49 x 4.2583212502739 1 settings made for x set atom $i y ${y0} set atom 49 y ${y0} set atom 49 y 3.85637448592317 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.76917257507277 variable y0 equal ${yi} variable y0 equal 2.98904126855233 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.69538001020384 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 3.07247213097909 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 184 -2.9871562 3.7757095 3.7932452 185 -2.9871562 3.7757095 4.175703 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 26 x ${x0} set atom 26 x 2.76917257507277 1 settings made for x set atom $i y ${y0} set atom 26 y ${y0} set atom 26 y 2.98904126855233 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 6.05597597320072 variable y0 equal ${yi} variable y0 equal 6.6133103562974 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 6.10456911284916 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.61410201326838 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 185 -2.9871562 3.7757095 4.175703 186 -2.9871562 3.7757095 3.8176047 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 72 x ${x0} set atom 72 x 6.05597597320072 1 settings made for x set atom $i y ${y0} set atom 72 y ${y0} set atom 72 y 6.6133103562974 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.66856847643195 variable y0 equal ${yi} variable y0 equal 8.24330494321879 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.67509861826239 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.25264309562739 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 186 -2.9871562 3.7757095 3.8176047 187 -2.9871562 3.7757095 3.768138 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 3.76813795996042 variable naccept equal ${increment} variable naccept equal 75 next iter jump SELF loop variable i equal ${irandom} variable i equal 84 variable x0 equal ${xi} variable x0 equal 1.69912415623446 variable y0 equal ${yi} variable y0 equal 8.28526519455012 set atom $i x ${xnew} set atom 84 x ${xnew} set atom 84 x 1.74543251871844 1 settings made for x set atom $i y ${ynew} set atom 84 y ${ynew} set atom 84 y 8.37158784784373 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 187 -2.9871562 3.768138 3.768138 188 -2.9871562 3.768138 3.7741958 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 84 x ${x0} set atom 84 x 1.69912415623446 1 settings made for x set atom $i y ${y0} set atom 84 y ${y0} set atom 84 y 8.28526519455012 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.71409282008296 variable y0 equal ${yi} variable y0 equal 2.80584219666818 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.80891637126094 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.7453488108764 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 188 -2.9871562 3.768138 3.7741958 189 -2.9871562 3.768138 3.7603115 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 3.76031149772695 variable naccept equal ${increment} variable naccept equal 76 next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.10165440797368 variable y0 equal ${yi} variable y0 equal 3.82401231093538 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.18344276904622 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.92122191949022 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 189 -2.9871562 3.7603115 3.7603115 190 -2.9871562 3.7603115 3.8375372 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.10165440797368 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.82401231093538 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 50 variable x0 equal ${xi} variable x0 equal 4.95269535421668 variable y0 equal ${yi} variable y0 equal 4.50253551358148 set atom $i x ${xnew} set atom 50 x ${xnew} set atom 50 x 4.94805367826758 1 settings made for x set atom $i y ${ynew} set atom 50 y ${ynew} set atom 50 y 4.47276767844125 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 190 -2.9871562 3.7603115 3.8375372 191 -2.9871562 3.7603115 3.7953799 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 50 x ${x0} set atom 50 x 4.95269535421668 1 settings made for x set atom $i y ${y0} set atom 50 y ${y0} set atom 50 y 4.50253551358148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 62 variable x0 equal ${xi} variable x0 equal 0.691218562522794 variable y0 equal ${yi} variable y0 equal 6.6783623887681 set atom $i x ${xnew} set atom 62 x ${xnew} set atom 62 x 0.612050385871793 1 settings made for x set atom $i y ${ynew} set atom 62 y ${ynew} set atom 62 y 6.61551776663294 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 191 -2.9871562 3.7603115 3.7953799 192 -2.9871562 3.7603115 3.7675347 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 62 x ${x0} set atom 62 x 0.691218562522794 1 settings made for x set atom $i y ${y0} set atom 62 y ${y0} set atom 62 y 6.6783623887681 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.85535389462158 variable y0 equal ${yi} variable y0 equal 1.0833966691378 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.89841231384918 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 1.04761657308372 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 192 -2.9871562 3.7603115 3.7675347 193 -2.9871562 3.7603115 3.7559041 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 3.7559040988599 variable naccept equal ${increment} variable naccept equal 77 next iter jump SELF loop variable i equal ${irandom} variable i equal 10 variable x0 equal ${xi} variable x0 equal 4.86377175688087 variable y0 equal ${yi} variable y0 equal 0.979123874414294 set atom $i x ${xnew} set atom 10 x ${xnew} set atom 10 x 4.95399692892372 1 settings made for x set atom $i y ${ynew} set atom 10 y ${ynew} set atom 10 y 0.887990887868731 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 193 -2.9871562 3.7559041 3.7559041 194 -2.9871562 3.7559041 3.845622 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 10 x ${x0} set atom 10 x 4.86377175688087 1 settings made for x set atom $i y ${y0} set atom 10 y ${y0} set atom 10 y 0.979123874414294 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.54015185116407 variable y0 equal ${yi} variable y0 equal 0.168617224693298 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.46731304405805 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.148456740379333 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 194 -2.9871562 3.7559041 3.845622 195 -2.9871562 3.7559041 3.7737988 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.54015185116407 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.168617224693298 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.57876513162081 variable y0 equal ${yi} variable y0 equal 7.53226324644351 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.52982973018114 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.44936907615924 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 195 -2.9871562 3.7559041 3.7737988 196 -2.9871562 3.7559041 3.6169063 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 3.61690627832558 variable naccept equal ${increment} variable naccept equal 78 next iter jump SELF loop variable i equal ${irandom} variable i equal 10 variable x0 equal ${xi} variable x0 equal 4.86377175688087 variable y0 equal ${yi} variable y0 equal 0.979123874414294 set atom $i x ${xnew} set atom 10 x ${xnew} set atom 10 x 4.88065268635093 1 settings made for x set atom $i y ${ynew} set atom 10 y ${ynew} set atom 10 y 0.912736781347125 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 196 -2.9871562 3.6169063 3.6169063 197 -2.9871562 3.6169063 3.6314758 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 10 x ${x0} set atom 10 x 4.86377175688087 1 settings made for x set atom $i y ${y0} set atom 10 y ${y0} set atom 10 y 0.979123874414294 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 1.93844582477913 variable y0 equal ${yi} variable y0 equal -0.0216168642044067 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 1.85615726152763 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y 0.0231895804405213 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 197 -2.9871562 3.6169063 3.6314758 198 -2.9871562 3.6169063 3.7165732 Loop time of 8.01086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 1.93844582477913 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y -0.0216168642044067 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.83154005010558 variable y0 equal ${yi} variable y0 equal 1.03624491285118 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.82547415693236 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 0.980638142335738 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 198 -2.9871562 3.6169063 3.7165732 199 -2.9871562 3.6169063 3.5411592 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 3.54115915625719 variable naccept equal ${increment} variable naccept equal 79 next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.39634142318632 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y 0.0637464880943273 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 199 -2.9871562 3.5411592 3.5411592 200 -2.9871562 3.5411592 3.6544582 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.2262481812498 variable y0 equal ${yi} variable y0 equal 2.83032892915109 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.1570454005262 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.91342599364618 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 200 -2.9871562 3.5411592 3.6544582 201 -2.9871562 3.5411592 3.9741903 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.2262481812498 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.83032892915109 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.3339799050351 variable y0 equal ${yi} variable y0 equal 0.744276662576526 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.3637065056821 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.730309530008167 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 201 -2.9871562 3.5411592 3.9741903 202 -2.9871562 3.5411592 3.707005 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 20 x ${x0} set atom 20 x 10.3339799050351 1 settings made for x set atom $i y ${y0} set atom 20 y ${y0} set atom 20 y 0.744276662576526 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 49 variable x0 equal ${xi} variable x0 equal 4.2583212502739 variable y0 equal ${yi} variable y0 equal 3.85637448592317 set atom $i x ${xnew} set atom 49 x ${xnew} set atom 49 x 4.25381002505036 1 settings made for x set atom $i y ${ynew} set atom 49 y ${ynew} set atom 49 y 3.80343433184755 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 202 -2.9871562 3.5411592 3.707005 203 -2.9871562 3.5411592 2.9052494 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 2.90524944701765 variable naccept equal ${increment} variable naccept equal 80 next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.37933925469132 variable y0 equal ${yi} variable y0 equal 5.58286277001101 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.47800179798813 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.50670849030215 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 203 -2.9871562 2.9052494 2.9052494 204 -2.9871562 2.9052494 2.9188227 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.37933925469132 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.58286277001101 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.2401395205518 variable y0 equal ${yi} variable y0 equal 8.23530813373622 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.1610254410764 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.2609955064207 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 204 -2.9871562 2.9052494 2.9188227 205 -2.9871562 2.9052494 2.8749211 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 2.87492109204518 variable naccept equal ${increment} variable naccept equal 81 next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.1610254410764 variable y0 equal ${yi} variable y0 equal 8.2609955064207 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.0673277143499 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.30344848550853 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 205 -2.9871562 2.8749211 2.8749211 206 -2.9871562 2.8749211 2.8857639 Loop time of 8.01086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 100 x ${x0} set atom 100 x 10.1610254410764 1 settings made for x set atom $i y ${y0} set atom 100 y ${y0} set atom 100 y 8.2609955064207 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.04383342583828 variable y0 equal ${yi} variable y0 equal 7.5002349170711 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.14124523719006 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.51275172558093 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 206 -2.9871562 2.8749211 2.8857639 207 -2.9871562 2.8749211 2.7766242 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 2.77662424471656 variable naccept equal ${increment} variable naccept equal 82 next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.606322498718168 variable y0 equal ${yi} variable y0 equal 0.941124983537524 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.528223629394438 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 1.0003870446566 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 207 -2.9871562 2.7766242 2.7766242 208 -2.9871562 2.7766242 2.770858 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 2.77085795989542 variable naccept equal ${increment} variable naccept equal 83 next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.67596542118666 variable y0 equal ${yi} variable y0 equal 3.54897683425081 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.74365770100233 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.49169098897111 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 208 -2.9871562 2.770858 2.770858 209 -2.9871562 2.770858 3.050436 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 59 x ${x0} set atom 59 x 9.67596542118666 1 settings made for x set atom $i y ${y0} set atom 59 y ${y0} set atom 59 y 3.54897683425081 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.65866128086825 variable y0 equal ${yi} variable y0 equal 2.87525559636453 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.73341091751834 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.95159634324411 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 209 -2.9871562 2.770858 3.050436 210 -2.9871562 2.770858 3.0698468 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 24 x ${x0} set atom 24 x 1.65866128086825 1 settings made for x set atom $i y ${y0} set atom 24 y ${y0} set atom 24 y 2.87525559636453 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.35001522063771 variable y0 equal ${yi} variable y0 equal 5.45133864824968 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.28540751695195 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.54694495146471 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 210 -2.9871562 2.770858 3.0698468 211 -2.9871562 2.770858 2.7667548 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 2.76675484509176 variable naccept equal ${increment} variable naccept equal 84 next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.34927348612863 variable y0 equal ${yi} variable y0 equal 3.632499070598 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.36620524643976 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.64652795357835 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 211 -2.9871562 2.7667548 2.7667548 212 -2.9871562 2.7667548 2.7140194 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 2.71401940348558 variable naccept equal ${increment} variable naccept equal 85 next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.0444017084425 variable y0 equal ${yi} variable y0 equal 3.71522757573259 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 0.976319959956935 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.80048367543352 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 212 -2.9871562 2.7140194 2.7140194 213 -2.9871562 2.7140194 2.7264465 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 43 x ${x0} set atom 43 x 1.0444017084425 1 settings made for x set atom $i y ${y0} set atom 43 y ${y0} set atom 43 y 3.71522757573259 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.4842599514982 variable y0 equal ${yi} variable y0 equal 6.47453133598796 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.5635194186231 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.47242429987422 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 213 -2.9871562 2.7140194 2.7264465 214 -2.9871562 2.7140194 2.7812203 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.4842599514982 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.47453133598796 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.54873728592168 variable y0 equal ${yi} variable y0 equal 7.27825465526843 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.49662653047811 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.37432011690402 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 214 -2.9871562 2.7140194 2.7812203 215 -2.9871562 2.7140194 2.484468 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 2.48446804105358 variable naccept equal ${increment} variable naccept equal 86 next iter jump SELF loop variable i equal ${irandom} variable i equal 79 variable x0 equal ${xi} variable x0 equal 9.71175088165876 variable y0 equal ${yi} variable y0 equal 5.71374509279924 set atom $i x ${xnew} set atom 79 x ${xnew} set atom 79 x 9.7438570785391 1 settings made for x set atom $i y ${ynew} set atom 79 y ${ynew} set atom 79 y 5.71434323733049 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 215 -2.9871562 2.484468 2.484468 216 -2.9871562 2.484468 2.5344589 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 79 x ${x0} set atom 79 x 9.71175088165876 1 settings made for x set atom $i y ${y0} set atom 79 y ${y0} set atom 79 y 5.71374509279924 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.48253180264112 variable y0 equal ${yi} variable y0 equal 1.83061694285935 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.47551999567625 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.81556935689515 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 216 -2.9871562 2.484468 2.5344589 217 -2.9871562 2.484468 2.498409 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 39 x ${x0} set atom 39 x 9.48253180264112 1 settings made for x set atom $i y ${y0} set atom 39 y ${y0} set atom 39 y 1.83061694285935 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.01283839343883 variable y0 equal ${yi} variable y0 equal 6.39706618324747 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 8.07944931386806 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.41556313768854 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 217 -2.9871562 2.484468 2.498409 218 -2.9871562 2.484468 2.4864171 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 76 x ${x0} set atom 76 x 8.01283839343883 1 settings made for x set atom $i y ${y0} set atom 76 y ${y0} set atom 76 y 6.39706618324747 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.15227542518474 variable y0 equal ${yi} variable y0 equal 4.80270715111658 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.14373866914607 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.82686398381159 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 218 -2.9871562 2.484468 2.4864171 219 -2.9871562 2.484468 2.4989194 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 56 x ${x0} set atom 56 x 8.15227542518474 1 settings made for x set atom $i y ${y0} set atom 56 y ${y0} set atom 56 y 4.80270715111658 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.419449497847 variable y0 equal ${yi} variable y0 equal 3.62166059775483 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.34232114711229 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.6295725540651 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 219 -2.9871562 2.484468 2.4989194 220 -2.9871562 2.484468 2.5210296 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.419449497847 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.62166059775483 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.4842599514982 variable y0 equal ${yi} variable y0 equal 6.47453133598796 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.4403341177961 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.37632404104701 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 220 -2.9871562 2.484468 2.5210296 221 -2.9871562 2.484468 2.5050849 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.4842599514982 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.47453133598796 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.69907911896487 variable y0 equal ${yi} variable y0 equal 6.46656938330165 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.6406300532796 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.41525693670741 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 221 -2.9871562 2.484468 2.5050849 222 -2.9871562 2.484468 2.4902262 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.69907911896487 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.46656938330165 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.67596542118666 variable y0 equal ${yi} variable y0 equal 3.54897683425081 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.66069640396712 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.55637566609514 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 222 -2.9871562 2.484468 2.4902262 223 -2.9871562 2.484468 2.4655846 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 2.46558463942581 variable naccept equal ${increment} variable naccept equal 87 next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.2623671062729 variable y0 equal ${yi} variable y0 equal 1.85691285512513 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.17639917214128 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.86436036012238 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 223 -2.9871562 2.4655846 2.4655846 224 -2.9871562 2.4655846 2.5872591 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.2623671062729 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.85691285512513 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 41 variable x0 equal ${xi} variable x0 equal 10.6815487464123 variable y0 equal ${yi} variable y0 equal 3.78250859542024 set atom $i x ${xnew} set atom 41 x ${xnew} set atom 41 x 10.7142239649945 1 settings made for x set atom $i y ${ynew} set atom 41 y ${ynew} set atom 41 y 3.83558911843431 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 224 -2.9871562 2.4655846 2.5872591 225 -2.9871562 2.4655846 2.5082268 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 41 x ${x0} set atom 41 x 10.6815487464123 1 settings made for x set atom $i y ${y0} set atom 41 y ${y0} set atom 41 y 3.78250859542024 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 81 variable x0 equal ${xi} variable x0 equal 10.6813830812626 variable y0 equal ${yi} variable y0 equal 7.44148362007403 set atom $i x ${xnew} set atom 81 x ${xnew} set atom 81 x 10.6724219401531 1 settings made for x set atom $i y ${ynew} set atom 81 y ${ynew} set atom 81 y 7.35836273756289 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 225 -2.9871562 2.4655846 2.5082268 226 -2.9871562 2.4655846 2.5064764 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 81 x ${x0} set atom 81 x 10.6813830812626 1 settings made for x set atom $i y ${y0} set atom 81 y ${y0} set atom 81 y 7.44148362007403 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.69907911896487 variable y0 equal ${yi} variable y0 equal 6.46656938330165 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.76873043656131 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.43484980598918 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 226 -2.9871562 2.4655846 2.5064764 227 -2.9871562 2.4655846 2.5053485 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.69907911896487 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.46656938330165 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 10.5705074151211 variable y0 equal ${yi} variable y0 equal 5.44929230158525 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 10.5000557978802 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.47984230463701 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 227 -2.9871562 2.4655846 2.5053485 228 -2.9871562 2.4655846 2.6772775 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 61 x ${x0} set atom 61 x 10.5705074151211 1 settings made for x set atom $i y ${y0} set atom 61 y ${y0} set atom 61 y 5.44929230158525 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.15227542518474 variable y0 equal ${yi} variable y0 equal 4.80270715111658 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.07615996002056 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.7173995649235 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 228 -2.9871562 2.4655846 2.6772775 229 -2.9871562 2.4655846 2.4400352 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 2.44003516207569 variable naccept equal ${increment} variable naccept equal 88 next iter jump SELF loop variable i equal ${irandom} variable i equal 81 variable x0 equal ${xi} variable x0 equal 10.6813830812626 variable y0 equal ${yi} variable y0 equal 7.44148362007403 set atom $i x ${xnew} set atom 81 x ${xnew} set atom 81 x 10.7781736691647 1 settings made for x set atom $i y ${ynew} set atom 81 y ${ynew} set atom 81 y 7.35604211416506 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 229 -2.9871562 2.4400352 2.4400352 230 -2.9871562 2.4400352 2.3465175 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 2.34651745930112 variable naccept equal ${increment} variable naccept equal 89 next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.45365178981688 variable y0 equal ${yi} variable y0 equal 5.53061765377717 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.46989903846648 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.60639603083329 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 230 -2.9871562 2.3465175 2.3465175 231 -2.9871562 2.3465175 2.3508133 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.45365178981688 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.53061765377717 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 9 variable x0 equal ${xi} variable x0 equal 4.30328945000382 variable y0 equal ${yi} variable y0 equal 9.24472218263477 set atom $i x ${xnew} set atom 9 x ${xnew} set atom 9 x 4.2174924977562 1 settings made for x set atom $i y ${ynew} set atom 9 y ${ynew} set atom 9 y 9.23501479137271 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 231 -2.9871562 2.3465175 2.3508133 232 -2.9871562 2.3465175 2.3609849 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 9 x ${x0} set atom 9 x 4.30328945000382 1 settings made for x set atom $i y ${y0} set atom 9 y ${y0} set atom 9 y 9.24472218263477 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 79 variable x0 equal ${xi} variable x0 equal 9.71175088165876 variable y0 equal ${yi} variable y0 equal 5.71374509279924 set atom $i x ${xnew} set atom 79 x ${xnew} set atom 79 x 9.73368551014539 1 settings made for x set atom $i y ${ynew} set atom 79 y ${ynew} set atom 79 y 5.73669055645662 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 232 -2.9871562 2.3465175 2.3609849 233 -2.9871562 2.3465175 2.3599017 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 79 x ${x0} set atom 79 x 9.71175088165876 1 settings made for x set atom $i y ${y0} set atom 79 y ${y0} set atom 79 y 5.71374509279924 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 1.93844582477913 variable y0 equal ${yi} variable y0 equal 9.28443172681659 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 1.93738202492104 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y 9.35388676631778 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 233 -2.9871562 2.3465175 2.3599017 234 -2.9871562 2.3465175 2.4501665 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 1.93844582477913 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 9.28443172681659 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.30100279251004 variable y0 equal ${yi} variable y0 equal 7.47468527879977 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.22193996110822 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.39776486482882 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 234 -2.9871562 2.3465175 2.4501665 235 -2.9871562 2.3465175 2.5319956 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.30100279251004 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.47468527879977 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 37 variable x0 equal ${xi} variable x0 equal 8.51145575204317 variable y0 equal ${yi} variable y0 equal 1.77417989156312 set atom $i x ${xnew} set atom 37 x ${xnew} set atom 37 x 8.47960474648897 1 settings made for x set atom $i y ${ynew} set atom 37 y ${ynew} set atom 37 y 1.80078221938676 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 235 -2.9871562 2.3465175 2.5319956 236 -2.9871562 2.3465175 2.3355328 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 2.33553281501307 variable naccept equal ${increment} variable naccept equal 90 next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.05291998106987 variable y0 equal ${yi} variable y0 equal 6.54749028221598 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 8.99259245116264 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.63762179152003 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 236 -2.9871562 2.3355328 2.3355328 237 -2.9871562 2.3355328 2.371876 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 78 x ${x0} set atom 78 x 9.05291998106987 1 settings made for x set atom $i y ${y0} set atom 78 y ${y0} set atom 78 y 6.54749028221598 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.419449497847 variable y0 equal ${yi} variable y0 equal 3.62166059775483 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.40840894141618 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.68270436091554 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 237 -2.9871562 2.3355328 2.371876 238 -2.9871562 2.3355328 2.3397584 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.419449497847 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.62166059775483 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.44531484046842 variable y0 equal ${yi} variable y0 equal 2.01137088916367 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.38733753362562 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.98514271161622 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 238 -2.9871562 2.3355328 2.3397584 239 -2.9871562 2.3355328 2.2989349 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 2.29893492861156 variable naccept equal ${increment} variable naccept equal 91 next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 1.93844582477913 variable y0 equal ${yi} variable y0 equal 9.28443172681659 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 1.99810193220482 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y 9.37699267375797 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 239 -2.9871562 2.2989349 2.2989349 240 -2.9871562 2.2989349 2.4168172 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 1.93844582477913 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 9.28443172681659 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 73 variable x0 equal ${xi} variable x0 equal 6.50041027783471 variable y0 equal ${yi} variable y0 equal 5.47833287661272 set atom $i x ${xnew} set atom 73 x ${xnew} set atom 73 x 6.50871119021493 1 settings made for x set atom $i y ${ynew} set atom 73 y ${ynew} set atom 73 y 5.46063058321672 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 240 -2.9871562 2.2989349 2.4168172 241 -2.9871562 2.2989349 2.3079187 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 73 x ${x0} set atom 73 x 6.50041027783471 1 settings made for x set atom $i y ${y0} set atom 73 y ${y0} set atom 73 y 5.47833287661272 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.80891637126094 variable y0 equal ${yi} variable y0 equal 2.7453488108764 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.76476874867564 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.70177202197412 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 241 -2.9871562 2.2989349 2.3079187 242 -2.9871562 2.2989349 2.3514607 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.80891637126094 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.7453488108764 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.89841231384918 variable y0 equal ${yi} variable y0 equal 1.04761657308372 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.9833695558612 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 0.954696889627299 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 242 -2.9871562 2.2989349 2.3514607 243 -2.9871562 2.2989349 2.3267175 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.89841231384918 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 1.04761657308372 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 6.08646931607715 variable y0 equal ${yi} variable y0 equal 4.56544599884912 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 6.02711180407993 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.46827596777841 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 243 -2.9871562 2.2989349 2.3267175 244 -2.9871562 2.2989349 2.4110565 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 6.08646931607715 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.56544599884912 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.89841231384918 variable y0 equal ${yi} variable y0 equal 1.04761657308372 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.96632986345932 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 1.0597247440699 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 244 -2.9871562 2.2989349 2.4110565 245 -2.9871562 2.2989349 2.3180912 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.89841231384918 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 1.04761657308372 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.27988629102269 variable y0 equal ${yi} variable y0 equal 1.9303872742421 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.21498584508458 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 1.99597549817627 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 245 -2.9871562 2.2989349 2.3180912 246 -2.9871562 2.2989349 2.2049808 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 2.20498076363821 variable naccept equal ${increment} variable naccept equal 92 next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.35654126484605 variable y0 equal ${yi} variable y0 equal 7.29389964666628 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.39849084694596 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.27104223099016 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 246 -2.9871562 2.2049808 2.2049808 247 -2.9871562 2.2049808 2.2090796 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.35654126484605 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.29389964666628 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.74200649777537 variable y0 equal ${yi} variable y0 equal 8.32967373050746 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.68310944357997 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.35611592449245 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 247 -2.9871562 2.2049808 2.2090796 248 -2.9871562 2.2049808 2.3804213 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.74200649777537 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.32967373050746 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 17 variable x0 equal ${xi} variable x0 equal 8.55511315026705 variable y0 equal ${yi} variable y0 equal 9.1494782041344 set atom $i x ${xnew} set atom 17 x ${xnew} set atom 17 x 8.60153190055315 1 settings made for x set atom $i y ${ynew} set atom 17 y ${ynew} set atom 17 y 9.0841515253815 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 248 -2.9871562 2.2049808 2.3804213 249 -2.9871562 2.2049808 2.2911791 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 17 x ${x0} set atom 17 x 8.55511315026705 1 settings made for x set atom $i y ${y0} set atom 17 y ${y0} set atom 17 y 9.1494782041344 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.71809613902999 variable y0 equal ${yi} variable y0 equal 6.45324923531046 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.68463653524352 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.46641634241572 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 249 -2.9871562 2.2049808 2.2911791 250 -2.9871562 2.2049808 2.2122944 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 66 x ${x0} set atom 66 x 2.71809613902999 1 settings made for x set atom $i y ${y0} set atom 66 y ${y0} set atom 66 y 6.45324923531046 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 84 variable x0 equal ${xi} variable x0 equal 1.69912415623446 variable y0 equal ${yi} variable y0 equal 8.28526519455012 set atom $i x ${xnew} set atom 84 x ${xnew} set atom 84 x 1.63794375538607 1 settings made for x set atom $i y ${ynew} set atom 84 y ${ynew} set atom 84 y 8.371298693791 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 250 -2.9871562 2.2049808 2.2122944 251 -2.9871562 2.2049808 2.1763007 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 2.17630066012853 variable naccept equal ${increment} variable naccept equal 93 next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.14111500421868 variable y0 equal ${yi} variable y0 equal 1.98998316905564 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.08580045143471 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.98135419271058 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 251 -2.9871562 2.1763007 2.1763007 252 -2.9871562 2.1763007 2.2014574 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.14111500421868 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.98998316905564 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.54015185116407 variable y0 equal ${yi} variable y0 equal 0.168617224693298 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.50547549008009 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.19406349658966 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 252 -2.9871562 2.1763007 2.2014574 253 -2.9871562 2.1763007 2.2167131 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.54015185116407 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.168617224693298 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.84334465781337 variable y0 equal ${yi} variable y0 equal 6.64102999702921 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.92664621392375 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.63731389776697 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 253 -2.9871562 2.1763007 2.2167131 254 -2.9871562 2.1763007 2.4903702 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 68 x ${x0} set atom 68 x 3.84334465781337 1 settings made for x set atom $i y ${y0} set atom 68 y ${y0} set atom 68 y 6.64102999702921 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.89841231384918 variable y0 equal ${yi} variable y0 equal 1.04761657308372 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.97736276665375 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 0.95279589484962 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 254 -2.9871562 2.1763007 2.4903702 255 -2.9871562 2.1763007 2.2008871 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.89841231384918 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 1.04761657308372 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.45365178981688 variable y0 equal ${yi} variable y0 equal 5.53061765377717 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.43885856071379 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.558475553443 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 255 -2.9871562 2.1763007 2.2008871 256 -2.9871562 2.1763007 2.1772142 Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms 2380.7% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 2.17721416636765 variable naccept equal ${increment} variable naccept equal 94 next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.528223629394438 variable y0 equal ${yi} variable y0 equal 1.0003870446566 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.499662192264464 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 1.03355894874367 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 256 -2.9871562 2.1772142 2.1772142 257 -2.9871562 2.1772142 2.1873307 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.528223629394438 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 1.0003870446566 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 7.0394436744754 variable y0 equal ${yi} variable y0 equal 2.83307024213174 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 7.00151706019088 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.84099396439889 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 257 -2.9871562 2.1772142 2.1873307 258 -2.9871562 2.1772142 2.1365474 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 2.13654740169727 variable naccept equal ${increment} variable naccept equal 95 next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 6.01838682849399 variable y0 equal ${yi} variable y0 equal 2.77655899497369 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.98321292359821 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.82037467929223 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 258 -2.9871562 2.1365474 2.1365474 259 -2.9871562 2.1365474 1.98574 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 1.98573995229882 variable naccept equal ${increment} variable naccept equal 96 next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.24925089835683 variable y0 equal ${yi} variable y0 equal 9.24181336868137 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.25217199086705 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y 9.18758630264133 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 259 -2.9871562 1.98574 1.98574 260 -2.9871562 1.98574 2.3063928 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 7 x ${x0} set atom 7 x 3.24925089835683 1 settings made for x set atom $i y ${y0} set atom 7 y ${y0} set atom 7 y 9.24181336868137 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 12 variable x0 equal ${xi} variable x0 equal 5.8571848150014 variable y0 equal ${yi} variable y0 equal 0.822012730348437 set atom $i x ${xnew} set atom 12 x ${xnew} set atom 12 x 5.82616556842318 1 settings made for x set atom $i y ${ynew} set atom 12 y ${ynew} set atom 12 y 0.806922693956225 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 260 -2.9871562 1.98574 2.3063928 261 -2.9871562 1.98574 2.005296 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 12 x ${x0} set atom 12 x 5.8571848150014 1 settings made for x set atom $i y ${y0} set atom 12 y ${y0} set atom 12 y 0.822012730348437 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.24925089835683 variable y0 equal ${yi} variable y0 equal 9.24181336868137 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.2526656842188 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y 9.21431394327015 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 261 -2.9871562 1.98574 2.005296 262 -2.9871562 1.98574 2.1117188 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 7 x ${x0} set atom 7 x 3.24925089835683 1 settings made for x set atom $i y ${y0} set atom 7 y ${y0} set atom 7 y 9.24181336868137 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.83310471732608 variable y0 equal ${yi} variable y0 equal 8.3484317771345 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.75761678178302 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.31474177755412 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 262 -2.9871562 1.98574 2.1117188 263 -2.9871562 1.98574 2.0053049 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.83310471732608 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.3484317771345 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 62 variable x0 equal ${xi} variable x0 equal 0.691218562522794 variable y0 equal ${yi} variable y0 equal 6.6783623887681 set atom $i x ${xnew} set atom 62 x ${xnew} set atom 62 x 0.670342476764585 1 settings made for x set atom $i y ${ynew} set atom 62 y ${ynew} set atom 62 y 6.59568084017267 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 263 -2.9871562 1.98574 2.0053049 264 -2.9871562 1.98574 1.9557278 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 1.95572776920715 variable naccept equal ${increment} variable naccept equal 97 next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.21031779963524 variable y0 equal ${yi} variable y0 equal 4.89201650971338 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.20485454518349 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.87068404311105 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 264 -2.9871562 1.9557278 1.9557278 265 -2.9871562 1.9557278 1.9474326 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 1.94743264633104 variable naccept equal ${increment} variable naccept equal 98 next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.54015185116407 variable y0 equal ${yi} variable y0 equal 0.168617224693298 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.61007420300123 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.260290694236755 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 265 -2.9871562 1.9474326 1.9474326 266 -2.9871562 1.9474326 2.1043325 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.54015185116407 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.168617224693298 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.74200649777537 variable y0 equal ${yi} variable y0 equal 8.32967373050746 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.80224820891505 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.3640069595724 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 266 -2.9871562 1.9474326 2.1043325 267 -2.9871562 1.9474326 1.956461 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.74200649777537 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.32967373050746 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.82547415693236 variable y0 equal ${yi} variable y0 equal 0.980638142335738 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.8267559309764 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 0.971250160444106 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 267 -2.9871562 1.9474326 1.956461 268 -2.9871562 1.9474326 1.945302 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 1.94530198930784 variable naccept equal ${increment} variable naccept equal 99 next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.05527156868621 variable y0 equal ${yi} variable y0 equal 4.53311400765344 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.02073226252242 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.46909262293741 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 268 -2.9871562 1.945302 1.945302 269 -2.9871562 1.945302 1.9995352 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.05527156868621 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.53311400765344 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 5.01025660871802 variable y0 equal ${yi} variable y0 equal 6.54333757893076 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 5.03032942652045 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.60091528431406 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 269 -2.9871562 1.945302 1.9995352 270 -2.9871562 1.945302 1.9986875 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 5.01025660871802 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.54333757893076 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 9.10574056822807 variable y0 equal ${yi} variable y0 equal 0.999771710145801 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 9.1836409540847 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 0.944023545492023 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 270 -2.9871562 1.945302 1.9986875 271 -2.9871562 1.945302 2.0532795 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 9.10574056822807 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.999771710145801 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.92452969192802 variable y0 equal ${yi} variable y0 equal 2.87330106469491 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 4.91350137829124 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.84221006604531 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 271 -2.9871562 1.945302 2.0532795 272 -2.9871562 1.945302 1.9484384 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 30 x ${x0} set atom 30 x 4.92452969192802 1 settings made for x set atom $i y ${y0} set atom 30 y ${y0} set atom 30 y 2.87330106469491 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 86 variable x0 equal ${xi} variable x0 equal 2.8703564425273 variable y0 equal ${yi} variable y0 equal 8.50065911926326 set atom $i x ${xnew} set atom 86 x ${xnew} set atom 86 x 2.8117458124919 1 settings made for x set atom $i y ${ynew} set atom 86 y ${ynew} set atom 86 y 8.46798524774608 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 272 -2.9871562 1.945302 1.9484384 273 -2.9871562 1.945302 1.7317291 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 1.7317290742616 variable naccept equal ${increment} variable naccept equal 100 next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.0444017084425 variable y0 equal ${yi} variable y0 equal 3.71522757573259 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 1.00807849486523 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.67135943932665 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 273 -2.9871562 1.7317291 1.7317291 274 -2.9871562 1.7317291 1.727328 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 1.72732802807642 variable naccept equal ${increment} variable naccept equal 101 next iter jump SELF loop variable i equal ${irandom} variable i equal 35 variable x0 equal ${xi} variable x0 equal 7.35008210975897 variable y0 equal ${yi} variable y0 equal 1.97732270143098 set atom $i x ${xnew} set atom 35 x ${xnew} set atom 35 x 7.30310733158362 1 settings made for x set atom $i y ${ynew} set atom 35 y ${ynew} set atom 35 y 1.91416514298982 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 274 -2.9871562 1.727328 1.727328 275 -2.9871562 1.727328 1.6596755 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 1.65967554118081 variable naccept equal ${increment} variable naccept equal 102 next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 9.10574056822807 variable y0 equal ${yi} variable y0 equal 0.999771710145801 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 9.01416312176735 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 1.02543041299614 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 275 -2.9871562 1.6596755 1.6596755 276 -2.9871562 1.6596755 1.6431268 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 1.64312681561497 variable naccept equal ${increment} variable naccept equal 103 next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.67509861826239 variable y0 equal ${yi} variable y0 equal 8.25264309562739 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.75239680647192 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.22711012281474 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 276 -2.9871562 1.6431268 1.6431268 277 -2.9871562 1.6431268 1.6410917 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 1.64109174625658 variable naccept equal ${increment} variable naccept equal 104 next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 7.0883078245227 variable y0 equal ${yi} variable y0 equal 8.34910107769069 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 7.14858557263061 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.4324205151945 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 277 -2.9871562 1.6410917 1.6410917 278 -2.9871562 1.6410917 1.6574711 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 7.0883078245227 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.34910107769069 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.86882879058009 variable y0 equal ${yi} variable y0 equal 4.49039562100336 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.8558085254777 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.56099074238703 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 278 -2.9871562 1.6410917 1.6574711 279 -2.9871562 1.6410917 1.2558275 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 1.25582751445049 variable naccept equal ${increment} variable naccept equal 105 next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.48253180264112 variable y0 equal ${yi} variable y0 equal 1.83061694285935 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.54107436417219 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.92576876065796 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 279 -2.9871562 1.2558275 1.2558275 280 -2.9871562 1.2558275 1.3506862 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 39 x ${x0} set atom 39 x 9.48253180264112 1 settings made for x set atom $i y ${y0} set atom 39 y ${y0} set atom 39 y 1.83061694285935 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 41 variable x0 equal ${xi} variable x0 equal 10.6815487464123 variable y0 equal ${yi} variable y0 equal 3.78250859542024 set atom $i x ${xnew} set atom 41 x ${xnew} set atom 41 x 10.736381598299 1 settings made for x set atom $i y ${ynew} set atom 41 y ${ynew} set atom 41 y 3.75094525380266 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 280 -2.9871562 1.2558275 1.3506862 281 -2.9871562 1.2558275 1.2353383 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 1.23533830508635 variable naccept equal ${increment} variable naccept equal 106 next iter jump SELF loop variable i equal ${irandom} variable i equal 73 variable x0 equal ${xi} variable x0 equal 6.50041027783471 variable y0 equal ${yi} variable y0 equal 5.47833287661272 set atom $i x ${xnew} set atom 73 x ${xnew} set atom 73 x 6.42834627150613 1 settings made for x set atom $i y ${ynew} set atom 73 y ${ynew} set atom 73 y 5.4691439980765 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 281 -2.9871562 1.2353383 1.2353383 282 -2.9871562 1.2353383 1.2264629 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 1.2264628888717 variable naccept equal ${increment} variable naccept equal 107 next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.01283839343883 variable y0 equal ${yi} variable y0 equal 6.39706618324747 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 8.0722867071519 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.45118850008478 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 282 -2.9871562 1.2264629 1.2264629 283 -2.9871562 1.2264629 1.135435 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 1.13543504322196 variable naccept equal ${increment} variable naccept equal 108 next iter jump SELF loop variable i equal ${irandom} variable i equal 82 variable x0 equal ${xi} variable x0 equal 0.527979464927579 variable y0 equal ${yi} variable y0 equal 8.19242875494059 set atom $i x ${xnew} set atom 82 x ${xnew} set atom 82 x 0.508253164688016 1 settings made for x set atom $i y ${ynew} set atom 82 y ${ynew} set atom 82 y 8.16900298513468 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 283 -2.9871562 1.135435 1.135435 284 -2.9871562 1.135435 1.1565057 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 82 x ${x0} set atom 82 x 0.527979464927579 1 settings made for x set atom $i y ${y0} set atom 82 y ${y0} set atom 82 y 8.19242875494059 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.419449497847 variable y0 equal ${yi} variable y0 equal 3.62166059775483 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.40158554473344 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.56424064202439 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 284 -2.9871562 1.135435 1.1565057 285 -2.9871562 1.135435 1.1416229 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.419449497847 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.62166059775483 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.12992211023675 variable y0 equal ${yi} variable y0 equal 5.55094037001329 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.17916303316461 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.59357631151872 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 285 -2.9871562 1.135435 1.1416229 286 -2.9871562 1.135435 1.146847 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.12992211023675 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.55094037001329 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.07615996002056 variable y0 equal ${yi} variable y0 equal 4.7173995649235 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.13544091581203 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.78325196856425 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 286 -2.9871562 1.135435 1.146847 287 -2.9871562 1.135435 1.1495881 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 56 x ${x0} set atom 56 x 8.07615996002056 1 settings made for x set atom $i y ${y0} set atom 56 y ${y0} set atom 56 y 4.7173995649235 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.419449497847 variable y0 equal ${yi} variable y0 equal 3.62166059775483 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.34415881791536 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.69185721440446 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 287 -2.9871562 1.135435 1.1495881 288 -2.9871562 1.135435 1.172518 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.419449497847 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.62166059775483 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.14111500421868 variable y0 equal ${yi} variable y0 equal 1.98998316905564 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.15834543148385 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.95142827413148 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 288 -2.9871562 1.135435 1.172518 289 -2.9871562 1.135435 1.1281081 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 1.12810808282229 variable naccept equal ${increment} variable naccept equal 109 next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.719713945785428 variable y0 equal ${yi} variable y0 equal 2.71912268372872 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.662689776817227 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.67404042455056 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 289 -2.9871562 1.1281081 1.1281081 290 -2.9871562 1.1281081 1.1211865 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 1.1211864606703 variable naccept equal ${increment} variable naccept equal 110 next iter jump SELF loop variable i equal ${irandom} variable i equal 38 variable x0 equal ${xi} variable x0 equal 9.26134668309242 variable y0 equal ${yi} variable y0 equal 2.72465627166131 set atom $i x ${xnew} set atom 38 x ${xnew} set atom 38 x 9.29207877833397 1 settings made for x set atom $i y ${ynew} set atom 38 y ${ynew} set atom 38 y 2.80869561406472 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 290 -2.9871562 1.1211865 1.1211865 291 -2.9871562 1.1211865 1.2986889 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 38 x ${x0} set atom 38 x 9.26134668309242 1 settings made for x set atom $i y ${y0} set atom 38 y ${y0} set atom 38 y 2.72465627166131 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.8267559309764 variable y0 equal ${yi} variable y0 equal 0.971250160444106 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.75902790029479 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 0.898522039163436 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 291 -2.9871562 1.1211865 1.2986889 292 -2.9871562 1.1211865 0.94135303 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.941353026039151 variable naccept equal ${increment} variable naccept equal 111 next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.61105832934161 variable y0 equal ${yi} variable y0 equal 4.50049876326486 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.5575939166524 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.49943247193261 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 292 -2.9871562 0.94135303 0.94135303 293 -2.9871562 0.94135303 0.93764633 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.937646334407269 variable naccept equal ${increment} variable naccept equal 112 next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 9.01416312176735 variable y0 equal ${yi} variable y0 equal 1.02543041299614 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 8.91501542050392 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 1.03042320798668 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 293 -2.9871562 0.93764633 0.93764633 294 -2.9871562 0.93764633 0.98774818 Loop time of 8.10623e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 9.01416312176735 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 1.02543041299614 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 5.01025660871802 variable y0 equal ${yi} variable y0 equal 6.54333757893076 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 5.00207789778052 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.54641065136423 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 294 -2.9871562 0.93764633 0.98774818 295 -2.9871562 0.93764633 0.93896905 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 5.01025660871802 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.54333757893076 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.31983832835275 variable y0 equal ${yi} variable y0 equal 9.28122769105762 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.25224061726648 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y 9.27107895124286 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 295 -2.9871562 0.93764633 0.93896905 296 -2.9871562 0.93764633 0.98394718 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.31983832835275 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 9.28122769105762 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 93 variable x0 equal ${xi} variable x0 equal 6.39294121979791 variable y0 equal ${yi} variable y0 equal 7.42644421186709 set atom $i x ${xnew} set atom 93 x ${xnew} set atom 93 x 6.37878628491479 1 settings made for x set atom $i y ${ynew} set atom 93 y ${ynew} set atom 93 y 7.3485107811954 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 296 -2.9871562 0.93764633 0.98394718 297 -2.9871562 0.93764633 1.2470222 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 93 x ${x0} set atom 93 x 6.39294121979791 1 settings made for x set atom $i y ${y0} set atom 93 y ${y0} set atom 93 y 7.42644421186709 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.80891637126094 variable y0 equal ${yi} variable y0 equal 2.7453488108764 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.71343504706508 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.83674176904062 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 297 -2.9871562 0.93764633 1.2470222 298 -2.9871562 0.93764633 0.94091343 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.80891637126094 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.7453488108764 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.2623671062729 variable y0 equal ${yi} variable y0 equal 1.85691285512513 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.20108259995195 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.79835951707429 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 298 -2.9871562 0.93764633 0.94091343 299 -2.9871562 0.93764633 1.0469015 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.2623671062729 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.85691285512513 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.4842599514982 variable y0 equal ${yi} variable y0 equal 6.47453133598796 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.4386542324087 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.52439804808131 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 299 -2.9871562 0.93764633 1.0469015 300 -2.9871562 0.93764633 0.94659579 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.4842599514982 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.47453133598796 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.34592144885923 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y 0.049927163124082 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 300 -2.9871562 0.93764633 0.94659579 301 -2.9871562 0.93764633 0.97598964 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 10.5705074151211 variable y0 equal ${yi} variable y0 equal 5.44929230158525 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 10.5304636200123 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.51830297653871 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 301 -2.9871562 0.93764633 0.97598964 302 -2.9871562 0.93764633 1.0699763 Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 61 x ${x0} set atom 61 x 10.5705074151211 1 settings made for x set atom $i y ${y0} set atom 61 y ${y0} set atom 61 y 5.44929230158525 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.5575939166524 variable y0 equal ${yi} variable y0 equal 4.49943247193261 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.65137007117053 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.58490908497735 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 302 -2.9871562 0.93764633 1.0699763 303 -2.9871562 0.93764633 0.93545845 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.935458446203319 variable naccept equal ${increment} variable naccept equal 113 next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.98321292359821 variable y0 equal ${yi} variable y0 equal 2.82037467929223 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.90086858232013 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.85332814427712 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 303 -2.9871562 0.93545845 0.93545845 304 -2.9871562 0.93545845 0.87859081 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.878590811659339 variable naccept equal ${increment} variable naccept equal 114 next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.16465403436519 variable y0 equal ${yi} variable y0 equal 8.25818215526637 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.11236243842937 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.24853718198832 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 304 -2.9871562 0.87859081 0.87859081 305 -2.9871562 0.87859081 0.84186673 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.841866727873061 variable naccept equal ${increment} variable naccept equal 115 next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.65866128086825 variable y0 equal ${yi} variable y0 equal 2.87525559636453 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.58777606367846 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.84301091405252 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 305 -2.9871562 0.84186673 0.84186673 306 -2.9871562 0.84186673 0.82826124 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.828261243053289 variable naccept equal ${increment} variable naccept equal 116 next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 5.01025660871802 variable y0 equal ${yi} variable y0 equal 6.54333757893076 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.91611744999228 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.62693737284174 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 306 -2.9871562 0.82826124 0.82826124 307 -2.9871562 0.82826124 0.96978441 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 5.01025660871802 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.54333757893076 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.35654126484605 variable y0 equal ${yi} variable y0 equal 7.29389964666628 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.42171926577302 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.38157400217318 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 307 -2.9871562 0.82826124 0.96978441 308 -2.9871562 0.82826124 0.73615492 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.736154916943769 variable naccept equal ${increment} variable naccept equal 117 next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.50696252742235 variable y0 equal ${yi} variable y0 equal 5.69319788162904 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.43130980887834 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.75697098915773 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 308 -2.9871562 0.73615492 0.73615492 309 -2.9871562 0.73615492 1.2254754 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.50696252742235 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.69319788162904 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 12 variable x0 equal ${xi} variable x0 equal 5.8571848150014 variable y0 equal ${yi} variable y0 equal 0.822012730348437 set atom $i x ${xnew} set atom 12 x ${xnew} set atom 12 x 5.89277292449466 1 settings made for x set atom $i y ${ynew} set atom 12 y ${ynew} set atom 12 y 0.861734314668505 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 309 -2.9871562 0.73615492 1.2254754 310 -2.9871562 0.73615492 0.71526213 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.715262129537996 variable naccept equal ${increment} variable naccept equal 118 next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 9.01416312176735 variable y0 equal ${yi} variable y0 equal 1.02543041299614 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 9.0259944530204 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 1.09268743585381 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 310 -2.9871562 0.71526213 0.71526213 311 -2.9871562 0.71526213 0.85184339 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 9.01416312176735 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 1.02543041299614 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 38 variable x0 equal ${xi} variable x0 equal 9.26134668309242 variable y0 equal ${yi} variable y0 equal 2.72465627166131 set atom $i x ${xnew} set atom 38 x ${xnew} set atom 38 x 9.17907547671348 1 settings made for x set atom $i y ${ynew} set atom 38 y ${ynew} set atom 38 y 2.72399175139764 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 311 -2.9871562 0.71526213 0.85184339 312 -2.9871562 0.71526213 0.64923108 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.649231076183207 variable naccept equal ${increment} variable naccept equal 119 next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.09856477419243 variable y0 equal ${yi} variable y0 equal 7.42882086363101 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.171928853191 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.39512615528369 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 312 -2.9871562 0.64923108 0.64923108 313 -2.9871562 0.64923108 0.64870609 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.648706088917602 variable naccept equal ${increment} variable naccept equal 120 next iter jump SELF loop variable i equal ${irandom} variable i equal 87 variable x0 equal ${xi} variable x0 equal 3.11265363454381 variable y0 equal ${yi} variable y0 equal 7.54972790804171 set atom $i x ${xnew} set atom 87 x ${xnew} set atom 87 x 3.19670169114628 1 settings made for x set atom $i y ${ynew} set atom 87 y ${ynew} set atom 87 y 7.45894124832415 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 313 -2.9871562 0.64870609 0.64870609 314 -2.9871562 0.64870609 0.60161949 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.601619488272378 variable naccept equal ${increment} variable naccept equal 121 next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.15834543148385 variable y0 equal ${yi} variable y0 equal 1.95142827413148 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.15292535463677 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.93014320514268 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 314 -2.9871562 0.60161949 0.60161949 315 -2.9871562 0.60161949 0.60218553 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.15834543148385 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.95142827413148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.30100279251004 variable y0 equal ${yi} variable y0 equal 7.47468527879977 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.25737026134396 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.50756908979678 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 315 -2.9871562 0.60161949 0.60218553 316 -2.9871562 0.60161949 0.76497248 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.30100279251004 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.47468527879977 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 41 variable x0 equal ${xi} variable x0 equal 10.736381598299 variable y0 equal ${yi} variable y0 equal 3.75094525380266 set atom $i x ${xnew} set atom 41 x ${xnew} set atom 41 x 10.8089002330951 1 settings made for x set atom $i y ${ynew} set atom 41 y ${ynew} set atom 41 y 3.70395618243349 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 316 -2.9871562 0.60161949 0.76497248 317 -2.9871562 0.60161949 0.6150634 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 41 x ${x0} set atom 41 x 10.736381598299 1 settings made for x set atom $i y ${y0} set atom 41 y ${y0} set atom 41 y 3.75094525380266 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.80891637126094 variable y0 equal ${yi} variable y0 equal 2.7453488108764 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.74724085847026 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.75662622424463 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 317 -2.9871562 0.60161949 0.6150634 318 -2.9871562 0.60161949 0.6212426 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.80891637126094 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.7453488108764 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.69907911896487 variable y0 equal ${yi} variable y0 equal 6.46656938330165 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.63290837883731 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.37482504383556 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 318 -2.9871562 0.60161949 0.6212426 319 -2.9871562 0.60161949 0.62114355 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.69907911896487 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.46656938330165 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.07615996002056 variable y0 equal ${yi} variable y0 equal 4.7173995649235 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.15357411502697 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.76654394024775 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 319 -2.9871562 0.60161949 0.62114355 320 -2.9871562 0.60161949 0.61212154 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 56 x ${x0} set atom 56 x 8.07615996002056 1 settings made for x set atom $i y ${y0} set atom 56 y ${y0} set atom 56 y 4.7173995649235 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.10165440797368 variable y0 equal ${yi} variable y0 equal 3.82401231093538 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.17658477782765 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.80986476702821 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 320 -2.9871562 0.60161949 0.61212154 321 -2.9871562 0.60161949 0.50980081 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.509800810220961 variable naccept equal ${increment} variable naccept equal 122 next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.38733753362562 variable y0 equal ${yi} variable y0 equal 1.98514271161622 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.44608472982313 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 2.07643402001924 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 321 -2.9871562 0.50980081 0.50980081 322 -2.9871562 0.50980081 0.61820721 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 31 x ${x0} set atom 31 x 5.38733753362562 1 settings made for x set atom $i y ${y0} set atom 31 y ${y0} set atom 31 y 1.98514271161622 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.0722867071519 variable y0 equal ${yi} variable y0 equal 6.45118850008478 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 8.04694936870433 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.52130033508768 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 322 -2.9871562 0.50980081 0.61820721 323 -2.9871562 0.50980081 0.45510145 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.455101454385928 variable naccept equal ${increment} variable naccept equal 123 next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 7.00151706019088 variable y0 equal ${yi} variable y0 equal 2.84099396439889 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 6.97641189375564 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.79607654782632 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 323 -2.9871562 0.45510145 0.45510145 324 -2.9871562 0.45510145 0.44648374 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.446483741326988 variable naccept equal ${increment} variable naccept equal 124 next iter jump SELF loop variable i equal ${irandom} variable i equal 10 variable x0 equal ${xi} variable x0 equal 4.86377175688087 variable y0 equal ${yi} variable y0 equal 0.979123874414294 set atom $i x ${xnew} set atom 10 x ${xnew} set atom 10 x 4.90331059336006 1 settings made for x set atom $i y ${ynew} set atom 10 y ${ynew} set atom 10 y 0.983509906041949 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 324 -2.9871562 0.44648374 0.44648374 325 -2.9871562 0.44648374 0.45449936 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 10 x ${x0} set atom 10 x 4.86377175688087 1 settings made for x set atom $i y ${y0} set atom 10 y ${y0} set atom 10 y 0.979123874414294 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 8 variable x0 equal ${xi} variable x0 equal 3.64581083575373 variable y0 equal ${yi} variable y0 equal 1.1294338900927 set atom $i x ${xnew} set atom 8 x ${xnew} set atom 8 x 3.73614475051051 1 settings made for x set atom $i y ${ynew} set atom 8 y ${ynew} set atom 8 y 1.21287616084847 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 325 -2.9871562 0.44648374 0.45449936 326 -2.9871562 0.44648374 0.63764505 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 8 x ${x0} set atom 8 x 3.64581083575373 1 settings made for x set atom $i y ${y0} set atom 8 y ${y0} set atom 8 y 1.1294338900927 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 35 variable x0 equal ${xi} variable x0 equal 7.30310733158362 variable y0 equal ${yi} variable y0 equal 1.91416514298982 set atom $i x ${xnew} set atom 35 x ${xnew} set atom 35 x 7.39499159891379 1 settings made for x set atom $i y ${ynew} set atom 35 y ${ynew} set atom 35 y 1.92000625512666 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 326 -2.9871562 0.44648374 0.63764505 327 -2.9871562 0.44648374 0.42797018 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.427970183917575 variable naccept equal ${increment} variable naccept equal 125 next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.50235789218808 variable y0 equal ${yi} variable y0 equal 3.73372400565278 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.54485606351758 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.65695375962388 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 327 -2.9871562 0.42797018 0.42797018 328 -2.9871562 0.42797018 0.6610825 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 51 x ${x0} set atom 51 x 5.50235789218808 1 settings made for x set atom $i y ${y0} set atom 51 y ${y0} set atom 51 y 3.73372400565278 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.7506712782361 variable y0 equal ${yi} variable y0 equal 0.888538749921649 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.71824898600359 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.933647318590014 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 328 -2.9871562 0.42797018 0.6610825 329 -2.9871562 0.42797018 0.39916015 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.399160152989202 variable naccept equal ${increment} variable naccept equal 126 next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.528223629394438 variable y0 equal ${yi} variable y0 equal 1.0003870446566 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.560817809501555 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 1.03491665910515 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 329 -2.9871562 0.39916015 0.39916015 330 -2.9871562 0.39916015 0.40185583 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.528223629394438 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 1.0003870446566 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.14124523719006 variable y0 equal ${yi} variable y0 equal 7.51275172558093 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.11549679358654 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.55766046371722 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 330 -2.9871562 0.39916015 0.40185583 331 -2.9871562 0.39916015 0.48906063 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.14124523719006 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.51275172558093 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.17658477782765 variable y0 equal ${yi} variable y0 equal 3.80986476702821 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.23023854255238 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.88807414336335 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 331 -2.9871562 0.39916015 0.48906063 332 -2.9871562 0.39916015 0.42897972 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.17658477782765 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.80986476702821 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 84 variable x0 equal ${xi} variable x0 equal 1.63794375538607 variable y0 equal ${yi} variable y0 equal 8.371298693791 set atom $i x ${xnew} set atom 84 x ${xnew} set atom 84 x 1.57106729626437 1 settings made for x set atom $i y ${ynew} set atom 84 y ${ynew} set atom 84 y 8.45412160076198 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 332 -2.9871562 0.39916015 0.42897972 333 -2.9871562 0.39916015 0.43569545 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 84 x ${x0} set atom 84 x 1.63794375538607 1 settings made for x set atom $i y ${y0} set atom 84 y ${y0} set atom 84 y 8.371298693791 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 10 variable x0 equal ${xi} variable x0 equal 4.86377175688087 variable y0 equal ${yi} variable y0 equal 0.979123874414294 set atom $i x ${xnew} set atom 10 x ${xnew} set atom 10 x 4.88687561392128 1 settings made for x set atom $i y ${ynew} set atom 10 y ${ynew} set atom 10 y 0.889389975774615 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 333 -2.9871562 0.39916015 0.43569545 334 -2.9871562 0.39916015 0.4185833 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 10 x ${x0} set atom 10 x 4.86377175688087 1 settings made for x set atom $i y ${y0} set atom 10 y ${y0} set atom 10 y 0.979123874414294 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.17658477782765 variable y0 equal ${yi} variable y0 equal 3.80986476702821 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.0896934604601 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.79988858266008 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 334 -2.9871562 0.39916015 0.4185833 335 -2.9871562 0.39916015 0.51973768 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.17658477782765 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.80986476702821 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.80891637126094 variable y0 equal ${yi} variable y0 equal 2.7453488108764 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.79604673901683 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.83362374278405 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 335 -2.9871562 0.39916015 0.51973768 336 -2.9871562 0.39916015 0.37079441 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.370794410570449 variable naccept equal ${increment} variable naccept equal 127 next iter jump SELF loop variable i equal ${irandom} variable i equal 75 variable x0 equal ${xi} variable x0 equal 7.43141517479192 variable y0 equal ${yi} variable y0 equal 5.56478210632998 set atom $i x ${xnew} set atom 75 x ${xnew} set atom 75 x 7.49551006395589 1 settings made for x set atom $i y ${ynew} set atom 75 y ${ynew} set atom 75 y 5.58417154495913 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 336 -2.9871562 0.37079441 0.37079441 337 -2.9871562 0.37079441 0.37134494 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 75 x ${x0} set atom 75 x 7.43141517479192 1 settings made for x set atom $i y ${y0} set atom 75 y ${y0} set atom 75 y 5.56478210632998 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.2325967947569 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y 0.081431126594541 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 337 -2.9871562 0.37079441 0.37134494 338 -2.9871562 0.37079441 0.41287264 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.76917257507277 variable y0 equal ${yi} variable y0 equal 2.98904126855233 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.73812366922331 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 2.96562054129937 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 338 -2.9871562 0.37079441 0.41287264 339 -2.9871562 0.37079441 0.34387548 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.343875481982439 variable naccept equal ${increment} variable naccept equal 128 next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.50696252742235 variable y0 equal ${yi} variable y0 equal 5.69319788162904 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.48728070416872 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.76202048008638 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 339 -2.9871562 0.34387548 0.34387548 340 -2.9871562 0.34387548 0.43818864 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.50696252742235 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.69319788162904 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.34449196258451 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y 0.0756220102310156 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 340 -2.9871562 0.34387548 0.43818864 341 -2.9871562 0.34387548 0.37326119 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.54015185116407 variable y0 equal ${yi} variable y0 equal 0.168617224693298 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.4949854779112 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.0935324668884274 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 341 -2.9871562 0.34387548 0.37326119 342 -2.9871562 0.34387548 0.33837315 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.338373152197701 variable naccept equal ${increment} variable naccept equal 129 next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.171928853191 variable y0 equal ${yi} variable y0 equal 7.39512615528369 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.08580487409936 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.40365429249072 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 342 -2.9871562 0.33837315 0.33837315 343 -2.9871562 0.33837315 0.36432519 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.171928853191 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.39512615528369 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.528223629394438 variable y0 equal ${yi} variable y0 equal 1.0003870446566 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.490792246261503 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.959949858892287 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 343 -2.9871562 0.33837315 0.36432519 344 -2.9871562 0.33837315 0.36695216 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.528223629394438 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 1.0003870446566 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 6.05597597320072 variable y0 equal ${yi} variable y0 equal 6.6133103562974 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 5.98053418357364 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.63511340157023 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 344 -2.9871562 0.33837315 0.36695216 345 -2.9871562 0.33837315 0.33376525 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.333765247542422 variable naccept equal ${increment} variable naccept equal 130 next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.89841231384918 variable y0 equal ${yi} variable y0 equal 1.04761657308372 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.84895133057281 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 1.0897190053347 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 345 -2.9871562 0.33376525 0.33376525 346 -2.9871562 0.33376525 0.34594189 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.89841231384918 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 1.04761657308372 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.38733753362562 variable y0 equal ${yi} variable y0 equal 1.98514271161622 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.31064851680662 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.91864991567201 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 346 -2.9871562 0.33376525 0.34594189 347 -2.9871562 0.33376525 0.32036207 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.320362070367371 variable naccept equal ${increment} variable naccept equal 131 next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.50235789218808 variable y0 equal ${yi} variable y0 equal 3.73372400565278 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.53454333940411 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.81364343924653 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 347 -2.9871562 0.32036207 0.32036207 348 -2.9871562 0.32036207 0.43311829 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 51 x ${x0} set atom 51 x 5.50235789218808 1 settings made for x set atom $i y ${y0} set atom 51 y ${y0} set atom 51 y 3.73372400565278 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.75902790029479 variable y0 equal ${yi} variable y0 equal 0.898522039163436 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.70367804964019 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 0.934533329713668 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 348 -2.9871562 0.32036207 0.43311829 349 -2.9871562 0.32036207 0.2957903 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.29579030149007 variable naccept equal ${increment} variable naccept equal 132 next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.171928853191 variable y0 equal ${yi} variable y0 equal 7.39512615528369 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.15771750847207 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.45649659958148 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 349 -2.9871562 0.2957903 0.2957903 350 -2.9871562 0.2957903 0.29508124 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.29508123707366 variable naccept equal ${increment} variable naccept equal 133 next iter jump SELF loop variable i equal ${irandom} variable i equal 12 variable x0 equal ${xi} variable x0 equal 5.89277292449466 variable y0 equal ${yi} variable y0 equal 0.861734314668505 set atom $i x ${xnew} set atom 12 x ${xnew} set atom 12 x 5.90064037997714 1 settings made for x set atom $i y ${ynew} set atom 12 y ${ynew} set atom 12 y 0.845063658464281 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 350 -2.9871562 0.29508124 0.29508124 351 -2.9871562 0.29508124 0.30372211 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 12 x ${x0} set atom 12 x 5.89277292449466 1 settings made for x set atom $i y ${y0} set atom 12 y ${y0} set atom 12 y 0.861734314668505 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 82 variable x0 equal ${xi} variable x0 equal 0.527979464927579 variable y0 equal ${yi} variable y0 equal 8.19242875494059 set atom $i x ${xnew} set atom 82 x ${xnew} set atom 82 x 0.525017555156613 1 settings made for x set atom $i y ${ynew} set atom 82 y ${ynew} set atom 82 y 8.15879053987559 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 351 -2.9871562 0.29508124 0.30372211 352 -2.9871562 0.29508124 0.34172105 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 82 x ${x0} set atom 82 x 0.527979464927579 1 settings made for x set atom $i y ${y0} set atom 82 y ${y0} set atom 82 y 8.19242875494059 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.71809613902999 variable y0 equal ${yi} variable y0 equal 6.45324923531046 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.71696967084838 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.39043933884134 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 352 -2.9871562 0.29508124 0.34172105 353 -2.9871562 0.29508124 0.30625059 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 66 x ${x0} set atom 66 x 2.71809613902999 1 settings made for x set atom $i y ${y0} set atom 66 y ${y0} set atom 66 y 6.45324923531046 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.50696252742235 variable y0 equal ${yi} variable y0 equal 5.69319788162904 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.46997485318605 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.70727876370149 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 353 -2.9871562 0.29508124 0.30625059 354 -2.9871562 0.29508124 0.31972163 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.50696252742235 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.69319788162904 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 3 variable x0 equal ${xi} variable x0 equal 0.885172382194331 variable y0 equal ${yi} variable y0 equal 0.0248975276947021 set atom $i x ${xnew} set atom 3 x ${xnew} set atom 3 x 0.811495509940913 1 settings made for x set atom $i y ${ynew} set atom 3 y ${ynew} set atom 3 y 0.0115002632141113 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 354 -2.9871562 0.29508124 0.31972163 355 -2.9871562 0.29508124 0.70233107 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 3 x ${x0} set atom 3 x 0.885172382194331 1 settings made for x set atom $i y ${y0} set atom 3 y ${y0} set atom 3 y 0.0248975276947021 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.65137007117053 variable y0 equal ${yi} variable y0 equal 4.58490908497735 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.69552061438342 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.51204549426003 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 355 -2.9871562 0.29508124 0.70233107 356 -2.9871562 0.29508124 0.33354179 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.65137007117053 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.58490908497735 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.98053418357364 variable y0 equal ${yi} variable y0 equal 6.63511340157023 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 5.97472019155017 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.60899307266703 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 356 -2.9871562 0.29508124 0.33354179 357 -2.9871562 0.29508124 0.26396275 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.26396274971894 variable naccept equal ${increment} variable naccept equal 134 next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.12992211023675 variable y0 equal ${yi} variable y0 equal 5.55094037001329 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.15197625795709 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.63342326824861 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 357 -2.9871562 0.26396275 0.26396275 358 -2.9871562 0.26396275 0.2970507 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.12992211023675 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.55094037001329 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.2262481812498 variable y0 equal ${yi} variable y0 equal 2.83032892915109 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.1710992936155 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.86930716010431 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 358 -2.9871562 0.26396275 0.2970507 359 -2.9871562 0.26396275 0.38303292 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.2262481812498 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.83032892915109 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 1.93844582477913 variable y0 equal ${yi} variable y0 equal 9.28443172681659 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 1.98384495416985 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y 9.23920365083545 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 359 -2.9871562 0.26396275 0.38303292 360 -2.9871562 0.26396275 0.26529661 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 1.93844582477913 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 9.28443172681659 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.1610254410764 variable y0 equal ${yi} variable y0 equal 8.2609955064207 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.0828326229116 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.30345684207973 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 360 -2.9871562 0.26396275 0.26529661 361 -2.9871562 0.26396275 0.27401982 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 100 x ${x0} set atom 100 x 10.1610254410764 1 settings made for x set atom $i y ${y0} set atom 100 y ${y0} set atom 100 y 8.2609955064207 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.50696252742235 variable y0 equal ${yi} variable y0 equal 5.69319788162904 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.54028536239092 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.75229939167695 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 361 -2.9871562 0.26396275 0.27401982 362 -2.9871562 0.26396275 0.31379274 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.50696252742235 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.69319788162904 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.662689776817227 variable y0 equal ${yi} variable y0 equal 2.67404042455056 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.636496813693905 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.67731568786004 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 362 -2.9871562 0.26396275 0.31379274 363 -2.9871562 0.26396275 0.25571674 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.255716735422817 variable naccept equal ${increment} variable naccept equal 135 next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.49662653047811 variable y0 equal ${yi} variable y0 equal 7.37432011690402 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.50331240732442 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.44483136263156 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 363 -2.9871562 0.25571674 0.25571674 364 -2.9871562 0.25571674 0.19111581 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.191115810675534 variable naccept equal ${increment} variable naccept equal 136 next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.636496813693905 variable y0 equal ${yi} variable y0 equal 2.67731568786004 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.71856998960104 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.73856755467751 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 364 -2.9871562 0.19111581 0.19111581 365 -2.9871562 0.19111581 0.2687628 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.636496813693905 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.67731568786004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.79604673901683 variable y0 equal ${yi} variable y0 equal 2.83362374278405 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.76497661391383 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.84230167838433 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 365 -2.9871562 0.19111581 0.2687628 366 -2.9871562 0.19111581 0.19500906 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.79604673901683 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.83362374278405 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.419449497847 variable y0 equal ${yi} variable y0 equal 3.62166059775483 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.33346389689867 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.65696188969743 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 366 -2.9871562 0.19111581 0.19500906 367 -2.9871562 0.19111581 0.23663173 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.419449497847 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.62166059775483 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 82 variable x0 equal ${xi} variable x0 equal 0.527979464927579 variable y0 equal ${yi} variable y0 equal 8.19242875494059 set atom $i x ${xnew} set atom 82 x ${xnew} set atom 82 x 0.467086871066953 1 settings made for x set atom $i y ${ynew} set atom 82 y ${ynew} set atom 82 y 8.28344582237299 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 367 -2.9871562 0.19111581 0.23663173 368 -2.9871562 0.19111581 0.12582147 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.125821468602904 variable naccept equal ${increment} variable naccept equal 137 next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 5.01025660871802 variable y0 equal ${yi} variable y0 equal 6.54333757893076 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.9486086213523 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.50839406982889 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 368 -2.9871562 0.12582147 0.12582147 369 -2.9871562 0.12582147 0.097751484 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.0977514839049006 variable naccept equal ${increment} variable naccept equal 138 next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.71824898600359 variable y0 equal ${yi} variable y0 equal 0.933647318590014 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.80852850556154 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.995412464845507 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 369 -2.9871562 0.097751484 0.097751484 370 -2.9871562 0.097751484 0.1632799 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.71824898600359 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.933647318590014 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.2262481812498 variable y0 equal ${yi} variable y0 equal 2.83032892915109 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.1941377643606 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.88416973325113 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 370 -2.9871562 0.097751484 0.1632799 371 -2.9871562 0.097751484 0.20873771 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.2262481812498 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.83032892915109 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.71824898600359 variable y0 equal ${yi} variable y0 equal 0.933647318590014 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.62032703041811 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.920044656503527 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 371 -2.9871562 0.097751484 0.20873771 372 -2.9871562 0.097751484 0.087508691 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.0875086909447649 variable naccept equal ${increment} variable naccept equal 139 next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.3339799050351 variable y0 equal ${yi} variable y0 equal 0.744276662576526 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.4201985482236 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.781599982488483 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 372 -2.9871562 0.087508691 0.087508691 373 -2.9871562 0.087508691 0.21932996 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 20 x ${x0} set atom 20 x 10.3339799050351 1 settings made for x set atom $i y ${y0} set atom 20 y ${y0} set atom 20 y 0.744276662576526 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.05291998106987 variable y0 equal ${yi} variable y0 equal 6.54749028221598 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 9.12892665583641 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.566815645852 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 373 -2.9871562 0.087508691 0.21932996 374 -2.9871562 0.087508691 0.072557679 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.0725576787877623 variable naccept equal ${increment} variable naccept equal 140 next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.66069640396712 variable y0 equal ${yi} variable y0 equal 3.55637566609514 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.59941504477141 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.61995392604006 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 374 -2.9871562 0.072557679 0.072557679 375 -2.9871562 0.072557679 0.015952498 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.01595249792244 variable naccept equal ${increment} variable naccept equal 141 next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.15834543148385 variable y0 equal ${yi} variable y0 equal 1.95142827413148 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.16643180290566 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 2.00440783879823 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 375 -2.9871562 0.015952498 0.015952498 376 -2.9871562 0.015952498 0.019542348 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.15834543148385 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.95142827413148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.36620524643976 variable y0 equal ${yi} variable y0 equal 3.64652795357835 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.40990429638941 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.55323563380372 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 376 -2.9871562 0.015952498 0.019542348 377 -2.9871562 0.015952498 0.030311792 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 53 x ${x0} set atom 53 x 6.36620524643976 1 settings made for x set atom $i y ${y0} set atom 53 y ${y0} set atom 53 y 3.64652795357835 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.12992211023675 variable y0 equal ${yi} variable y0 equal 5.55094037001329 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.18878640571939 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.5354710811873 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 377 -2.9871562 0.015952498 0.030311792 378 -2.9871562 0.015952498 0.013943455 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal 0.0139434553537386 variable naccept equal ${increment} variable naccept equal 142 next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.1148146752378 variable y0 equal ${yi} variable y0 equal 4.54698911065027 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.0559338335058 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.48674157017633 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 378 -2.9871562 0.013943455 0.013943455 379 -2.9871562 0.013943455 0.037957782 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 60 x ${x0} set atom 60 x 10.1148146752378 1 settings made for x set atom $i y ${y0} set atom 60 y ${y0} set atom 60 y 4.54698911065027 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.18878640571939 variable y0 equal ${yi} variable y0 equal 5.5354710811873 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.23728191295969 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.58496802990632 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 379 -2.9871562 0.013943455 0.037957782 380 -2.9871562 0.013943455 0.028182742 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.18878640571939 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.5354710811873 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.92452969192802 variable y0 equal ${yi} variable y0 equal 2.87330106469491 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 4.94397565960228 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.80666787597039 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 380 -2.9871562 0.013943455 0.028182742 381 -2.9871562 0.013943455 0.038726377 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 30 x ${x0} set atom 30 x 4.92452969192802 1 settings made for x set atom $i y ${y0} set atom 30 y ${y0} set atom 30 y 2.87330106469491 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.92452969192802 variable y0 equal ${yi} variable y0 equal 2.87330106469491 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 4.85538826822578 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.91704781028131 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 381 -2.9871562 0.013943455 0.038726377 382 -2.9871562 0.013943455 -0.0029113681 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.00291136808799739 variable naccept equal ${increment} variable naccept equal 143 next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 6.08646931607715 variable y0 equal ${yi} variable y0 equal 4.56544599884912 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 6.03489085395328 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.55223173254892 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 382 -2.9871562 -0.0029113681 -0.0029113681 383 -2.9871562 -0.0029113681 -0.018510184 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.0185101842136625 variable naccept equal ${increment} variable naccept equal 144 next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.83310471732608 variable y0 equal ${yi} variable y0 equal 8.3484317771345 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.76145250756732 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.42561675228175 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 383 -2.9871562 -0.018510184 -0.018510184 384 -2.9871562 -0.018510184 -0.0016797519 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.83310471732608 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.3484317771345 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 99 variable x0 equal ${xi} variable x0 equal 9.82006587265608 variable y0 equal ${yi} variable y0 equal 7.43660313215518 set atom $i x ${xnew} set atom 99 x ${xnew} set atom 99 x 9.8102262306082 1 settings made for x set atom $i y ${ynew} set atom 99 y ${ynew} set atom 99 y 7.35523183670306 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 384 -2.9871562 -0.018510184 -0.0016797519 385 -2.9871562 -0.018510184 -0.086884167 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.0868841674646081 variable naccept equal ${increment} variable naccept equal 145 next iter jump SELF loop variable i equal ${irandom} variable i equal 9 variable x0 equal ${xi} variable x0 equal 4.30328945000382 variable y0 equal ${yi} variable y0 equal 9.24472218263477 set atom $i x ${xnew} set atom 9 x ${xnew} set atom 9 x 4.23321030218812 1 settings made for x set atom $i y ${ynew} set atom 9 y ${ynew} set atom 9 y 9.32075173366398 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 385 -2.9871562 -0.086884167 -0.086884167 386 -2.9871562 -0.086884167 -0.084585275 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 9 x ${x0} set atom 9 x 4.30328945000382 1 settings made for x set atom $i y ${y0} set atom 9 y ${y0} set atom 9 y 9.24472218263477 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.42171926577302 variable y0 equal ${yi} variable y0 equal 7.38157400217318 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.39214122374269 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.32321853962206 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 386 -2.9871562 -0.086884167 -0.084585275 387 -2.9871562 -0.086884167 -0.09485721 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.0948572100933628 variable naccept equal ${increment} variable naccept equal 146 next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.73812366922331 variable y0 equal ${yi} variable y0 equal 2.96562054129937 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.64777944286299 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 2.8657853600631 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 387 -2.9871562 -0.09485721 -0.09485721 388 -2.9871562 -0.09485721 -0.13734918 Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.137349179549931 variable naccept equal ${increment} variable naccept equal 147 next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.24925089835683 variable y0 equal ${yi} variable y0 equal 9.24181336868137 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.16547834634343 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y 9.2590243886742 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 388 -2.9871562 -0.13734918 -0.13734918 389 -2.9871562 -0.13734918 -0.098568982 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 7 x ${x0} set atom 7 x 3.24925089835683 1 settings made for x set atom $i y ${y0} set atom 7 y ${y0} set atom 7 y 9.24181336868137 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.00807849486523 variable y0 equal ${yi} variable y0 equal 3.67135943932665 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 1.05134166796856 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.61244489712847 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 389 -2.9871562 -0.13734918 -0.098568982 390 -2.9871562 -0.13734918 -0.10615077 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 43 x ${x0} set atom 43 x 1.00807849486523 1 settings made for x set atom $i y ${y0} set atom 43 y ${y0} set atom 43 y 3.67135943932665 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.07615996002056 variable y0 equal ${yi} variable y0 equal 4.7173995649235 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.03701606391765 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.68836074227259 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 390 -2.9871562 -0.13734918 -0.10615077 391 -2.9871562 -0.13734918 -0.13125562 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 56 x ${x0} set atom 56 x 8.07615996002056 1 settings made for x set atom $i y ${y0} set atom 56 y ${y0} set atom 56 y 4.7173995649235 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.36620524643976 variable y0 equal ${yi} variable y0 equal 3.64652795357835 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.44271840571481 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.64753458066117 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 391 -2.9871562 -0.13734918 -0.13125562 392 -2.9871562 -0.13734918 -0.25371275 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.253712748217588 variable naccept equal ${increment} variable naccept equal 148 next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.8558085254777 variable y0 equal ${yi} variable y0 equal 4.56099074238703 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.79853938141947 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.56348908299372 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 392 -2.9871562 -0.25371275 -0.25371275 393 -2.9871562 -0.25371275 -0.31400487 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.314004871066545 variable naccept equal ${increment} variable naccept equal 149 next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.00807849486523 variable y0 equal ${yi} variable y0 equal 3.67135943932665 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 0.98558675368481 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.62238544983996 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 393 -2.9871562 -0.31400487 -0.31400487 394 -2.9871562 -0.31400487 -0.29631142 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 43 x ${x0} set atom 43 x 1.00807849486523 1 settings made for x set atom $i y ${y0} set atom 43 y ${y0} set atom 43 y 3.67135943932665 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 9.01416312176735 variable y0 equal ${yi} variable y0 equal 1.02543041299614 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 8.95588066298515 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 0.958170147645798 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 394 -2.9871562 -0.31400487 -0.29631142 395 -2.9871562 -0.31400487 -0.35531513 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.355315125754531 variable naccept equal ${increment} variable naccept equal 150 next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.79604673901683 variable y0 equal ${yi} variable y0 equal 2.83362374278405 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.80888134757167 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.87047326537469 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 395 -2.9871562 -0.35531513 -0.35531513 396 -2.9871562 -0.35531513 -0.35595282 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.355952820953483 variable naccept equal ${increment} variable naccept equal 151 next iter jump SELF loop variable i equal ${irandom} variable i equal 17 variable x0 equal ${xi} variable x0 equal 8.55511315026705 variable y0 equal ${yi} variable y0 equal 9.1494782041344 set atom $i x ${xnew} set atom 17 x ${xnew} set atom 17 x 8.63540090480273 1 settings made for x set atom $i y ${ynew} set atom 17 y ${ynew} set atom 17 y 9.05229873168796 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 396 -2.9871562 -0.35595282 -0.35595282 397 -2.9871562 -0.35595282 -0.15681053 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 17 x ${x0} set atom 17 x 8.55511315026705 1 settings made for x set atom $i y ${y0} set atom 17 y ${y0} set atom 17 y 9.1494782041344 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.52982973018114 variable y0 equal ${yi} variable y0 equal 7.44936907615924 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.52930599608843 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.42580200758243 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 397 -2.9871562 -0.35595282 -0.15681053 398 -2.9871562 -0.35595282 -0.37581021 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.375810205703133 variable naccept equal ${increment} variable naccept equal 152 next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.80888134757167 variable y0 equal ${yi} variable y0 equal 2.87047326537469 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.8890337161172 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.87338973256448 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 398 -2.9871562 -0.37581021 -0.37581021 399 -2.9871562 -0.37581021 -0.35070657 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.80888134757167 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.87047326537469 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.94675312637188 variable y0 equal ${yi} variable y0 equal 0.975284381616443 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.98992828725674 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 1.05625400136742 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 399 -2.9871562 -0.37581021 -0.35070657 400 -2.9871562 -0.37581021 -0.2934604 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.94675312637188 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.975284381616443 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.50235789218808 variable y0 equal ${yi} variable y0 equal 3.73372400565278 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.6012957851019 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.70070848031175 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 400 -2.9871562 -0.37581021 -0.2934604 401 -2.9871562 -0.37581021 -0.16337613 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 51 x ${x0} set atom 51 x 5.50235789218808 1 settings made for x set atom $i y ${y0} set atom 51 y ${y0} set atom 51 y 3.73372400565278 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 9 variable x0 equal ${xi} variable x0 equal 4.30328945000382 variable y0 equal ${yi} variable y0 equal 9.24472218263477 set atom $i x ${xnew} set atom 9 x ${xnew} set atom 9 x 4.31488733370514 1 settings made for x set atom $i y ${ynew} set atom 9 y ${ynew} set atom 9 y 9.32251842725605 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 401 -2.9871562 -0.37581021 -0.16337613 402 -2.9871562 -0.37581021 -0.37565206 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.375652055580076 variable naccept equal ${increment} variable naccept equal 153 next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.18878640571939 variable y0 equal ${yi} variable y0 equal 5.5354710811873 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.17491293588983 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.48421963398653 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 402 -2.9871562 -0.37565206 -0.37565206 403 -2.9871562 -0.37565206 -0.37225402 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.18878640571939 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.5354710811873 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.1610254410764 variable y0 equal ${yi} variable y0 equal 8.2609955064207 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.1835418347379 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.24674498952922 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 403 -2.9871562 -0.37565206 -0.37225402 404 -2.9871562 -0.37565206 -0.37288201 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 100 x ${x0} set atom 100 x 10.1610254410764 1 settings made for x set atom $i y ${y0} set atom 100 y ${y0} set atom 100 y 8.2609955064207 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.07615996002056 variable y0 equal ${yi} variable y0 equal 4.7173995649235 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 7.98369615672924 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.74513911360667 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 404 -2.9871562 -0.37565206 -0.37288201 405 -2.9871562 -0.37565206 -0.33818494 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 56 x ${x0} set atom 56 x 8.07615996002056 1 settings made for x set atom $i y ${y0} set atom 56 y ${y0} set atom 56 y 4.7173995649235 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 49 variable x0 equal ${xi} variable x0 equal 4.25381002505036 variable y0 equal ${yi} variable y0 equal 3.80343433184755 set atom $i x ${xnew} set atom 49 x ${xnew} set atom 49 x 4.22407763083192 1 settings made for x set atom $i y ${ynew} set atom 49 y ${ynew} set atom 49 y 3.88091249032152 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 405 -2.9871562 -0.37565206 -0.33818494 406 -2.9871562 -0.37565206 -0.056524228 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 49 x ${x0} set atom 49 x 4.25381002505036 1 settings made for x set atom $i y ${y0} set atom 49 y ${y0} set atom 49 y 3.80343433184755 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 49 variable x0 equal ${xi} variable x0 equal 4.25381002505036 variable y0 equal ${yi} variable y0 equal 3.80343433184755 set atom $i x ${xnew} set atom 49 x ${xnew} set atom 49 x 4.16376730282517 1 settings made for x set atom $i y ${ynew} set atom 49 y ${ynew} set atom 49 y 3.79501231475008 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 406 -2.9871562 -0.37565206 -0.056524228 407 -2.9871562 -0.37565206 -0.28113249 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 49 x ${x0} set atom 49 x 4.25381002505036 1 settings made for x set atom $i y ${y0} set atom 49 y ${y0} set atom 49 y 3.80343433184755 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.97641189375564 variable y0 equal ${yi} variable y0 equal 2.79607654782632 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 6.95992501059219 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.78535908433297 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 407 -2.9871562 -0.37565206 -0.28113249 408 -2.9871562 -0.37565206 -0.37074376 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.97641189375564 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.79607654782632 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.59941504477141 variable y0 equal ${yi} variable y0 equal 3.61995392604006 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.58793857573149 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.56021992726458 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 408 -2.9871562 -0.37565206 -0.37074376 409 -2.9871562 -0.37565206 -0.33435839 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 59 x ${x0} set atom 59 x 9.59941504477141 1 settings made for x set atom $i y ${y0} set atom 59 y ${y0} set atom 59 y 3.61995392604006 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 50 variable x0 equal ${xi} variable x0 equal 4.95269535421668 variable y0 equal ${yi} variable y0 equal 4.50253551358148 set atom $i x ${xnew} set atom 50 x ${xnew} set atom 50 x 5.02775023817359 1 settings made for x set atom $i y ${ynew} set atom 50 y ${ynew} set atom 50 y 4.42098615521356 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 409 -2.9871562 -0.37565206 -0.33435839 410 -2.9871562 -0.37565206 -0.15953732 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 50 x ${x0} set atom 50 x 4.95269535421668 1 settings made for x set atom $i y ${y0} set atom 50 y ${y0} set atom 50 y 4.50253551358148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 75 variable x0 equal ${xi} variable x0 equal 7.43141517479192 variable y0 equal ${yi} variable y0 equal 5.56478210632998 set atom $i x ${xnew} set atom 75 x ${xnew} set atom 75 x 7.37508015472661 1 settings made for x set atom $i y ${ynew} set atom 75 y ${ynew} set atom 75 y 5.53550324385363 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 410 -2.9871562 -0.37565206 -0.15953732 411 -2.9871562 -0.37565206 -0.35353521 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 75 x ${x0} set atom 75 x 7.43141517479192 1 settings made for x set atom $i y ${y0} set atom 75 y ${y0} set atom 75 y 5.56478210632998 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 10.5705074151211 variable y0 equal ${yi} variable y0 equal 5.44929230158525 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 10.6419550736599 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.43447923605638 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 411 -2.9871562 -0.37565206 -0.35353521 412 -2.9871562 -0.37565206 -0.40290452 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.402904521900275 variable naccept equal ${increment} variable naccept equal 154 next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.1610254410764 variable y0 equal ${yi} variable y0 equal 8.2609955064207 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.1072169307729 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.22592346586284 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 412 -2.9871562 -0.40290452 -0.40290452 413 -2.9871562 -0.40290452 -0.35728825 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 100 x ${x0} set atom 100 x 10.1610254410764 1 settings made for x set atom $i y ${y0} set atom 100 y ${y0} set atom 100 y 8.2609955064207 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.70367804964019 variable y0 equal ${yi} variable y0 equal 0.934533329713668 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.68636388977004 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 1.00753840993675 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 413 -2.9871562 -0.40290452 -0.35728825 414 -2.9871562 -0.40290452 -0.40257605 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 6 x ${x0} set atom 6 x 2.70367804964019 1 settings made for x set atom $i y ${y0} set atom 6 y ${y0} set atom 6 y 0.934533329713668 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.64665825565291 variable y0 equal ${yi} variable y0 equal 4.58244173878595 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.64626271923018 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.59080871695444 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 414 -2.9871562 -0.40290452 -0.40257605 415 -2.9871562 -0.40290452 -0.40764742 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.407647423303261 variable naccept equal ${increment} variable naccept equal 155 next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 0.0268441557884216 variable y0 equal ${yi} variable y0 equal 0.0427583456039429 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x -0.00359064340591434 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 0.0381360530853272 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 415 -2.9871562 -0.40764742 -0.40764742 416 -2.9871562 -0.40764742 -0.41381451 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.413814512691682 variable naccept equal ${increment} variable naccept equal 156 next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.3339799050351 variable y0 equal ${yi} variable y0 equal 0.744276662576526 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.3526916984578 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.79871677945885 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 416 -2.9871562 -0.41381451 -0.41381451 417 -2.9871562 -0.41381451 -0.56534429 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.565344294817149 variable naccept equal ${increment} variable naccept equal 157 next iter jump SELF loop variable i equal ${irandom} variable i equal 3 variable x0 equal ${xi} variable x0 equal 0.885172382194331 variable y0 equal ${yi} variable y0 equal 0.0248975276947021 set atom $i x ${xnew} set atom 3 x ${xnew} set atom 3 x 0.887986353236964 1 settings made for x set atom $i y ${ynew} set atom 3 y ${ynew} set atom 3 y -0.00142977237701421 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 417 -2.9871562 -0.56534429 -0.56534429 418 -2.9871562 -0.56534429 -0.57293845 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.572938446396488 variable naccept equal ${increment} variable naccept equal 158 next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.00807849486523 variable y0 equal ${yi} variable y0 equal 3.67135943932665 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 1.03878695090466 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.69885422749651 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 418 -2.9871562 -0.57293845 -0.57293845 419 -2.9871562 -0.57293845 -0.57786873 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.577868728488782 variable naccept equal ${increment} variable naccept equal 159 next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.13253129164086 variable y0 equal ${yi} variable y0 equal 3.65379038615358 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.2294186178814 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.65019634528291 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 419 -2.9871562 -0.57786873 -0.57786873 420 -2.9871562 -0.57786873 -0.50890601 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.13253129164086 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.65379038615358 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.52930599608843 variable y0 equal ${yi} variable y0 equal 7.42580200758243 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.58716782489245 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.40188271131778 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 420 -2.9871562 -0.57786873 -0.50890601 421 -2.9871562 -0.57786873 -0.60726177 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.607261765732202 variable naccept equal ${increment} variable naccept equal 160 next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.30100279251004 variable y0 equal ${yi} variable y0 equal 7.47468527879977 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.21386092105771 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.38727816667819 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 421 -2.9871562 -0.60726177 -0.60726177 422 -2.9871562 -0.60726177 -0.34264401 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.30100279251004 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.47468527879977 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.20485454518349 variable y0 equal ${yi} variable y0 equal 4.87068404311105 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.19003845173867 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.92800234908029 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 422 -2.9871562 -0.60726177 -0.34264401 423 -2.9871562 -0.60726177 -0.59375216 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 58 x ${x0} set atom 58 x 9.20485454518349 1 settings made for x set atom $i y ${y0} set atom 58 y ${y0} set atom 58 y 4.87068404311105 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.89841231384918 variable y0 equal ${yi} variable y0 equal 1.04761657308372 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.89916241446182 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 1.11506701301368 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 423 -2.9871562 -0.60726177 -0.59375216 424 -2.9871562 -0.60726177 -0.5827688 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.89841231384918 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 1.04761657308372 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.07615996002056 variable y0 equal ${yi} variable y0 equal 4.7173995649235 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.0944710194955 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.65609761828349 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 424 -2.9871562 -0.60726177 -0.5827688 425 -2.9871562 -0.60726177 -0.61137285 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.611372854209153 variable naccept equal ${increment} variable naccept equal 161 next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal -0.00359064340591434 variable y0 equal ${yi} variable y0 equal 0.0381360530853272 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x -0.0483680248260498 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 0.0548078656196595 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 425 -2.9871562 -0.61137285 -0.61137285 426 -2.9871562 -0.61137285 -0.5213177 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 1 x ${x0} set atom 1 x -0.00359064340591434 1 settings made for x set atom $i y ${y0} set atom 1 y ${y0} set atom 1 y 0.0381360530853272 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.41063080866109 variable y0 equal ${yi} variable y0 equal 3.65039785666597 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.49241850216161 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.62302048964632 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 426 -2.9871562 -0.61137285 -0.5213177 427 -2.9871562 -0.61137285 -0.61945438 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.619454384703692 variable naccept equal ${increment} variable naccept equal 162 next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.31064851680662 variable y0 equal ${yi} variable y0 equal 1.91864991567201 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.39310233989622 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.95581401965684 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 427 -2.9871562 -0.61945438 -0.61945438 428 -2.9871562 -0.61945438 -0.61480823 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 31 x ${x0} set atom 31 x 5.31064851680662 1 settings made for x set atom $i y ${y0} set atom 31 y ${y0} set atom 31 y 1.91864991567201 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 10.6419550736599 variable y0 equal ${yi} variable y0 equal 5.43447923605638 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 10.603181334322 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.38229488079744 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 428 -2.9871562 -0.61945438 -0.61480823 429 -2.9871562 -0.61945438 -0.56775191 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 61 x ${x0} set atom 61 x 10.6419550736599 1 settings made for x set atom $i y ${y0} set atom 61 y ${y0} set atom 61 y 5.43447923605638 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.21498584508458 variable y0 equal ${yi} variable y0 equal 1.99597549817627 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.19226642608205 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 1.99900682351654 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 429 -2.9871562 -0.61945438 -0.56775191 430 -2.9871562 -0.61945438 -0.62252018 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.622520181065607 variable naccept equal ${increment} variable naccept equal 163 next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.24925089835683 variable y0 equal ${yi} variable y0 equal 9.24181336868137 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.18484719752828 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y 9.32755983579487 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 430 -2.9871562 -0.62252018 -0.62252018 431 -2.9871562 -0.62252018 -0.68079701 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.6807970112752 variable naccept equal ${increment} variable naccept equal 164 next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.62032703041811 variable y0 equal ${yi} variable y0 equal 0.920044656503527 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.64834408640642 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.990291782129137 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 431 -2.9871562 -0.68079701 -0.68079701 432 -2.9871562 -0.68079701 -0.66282209 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.62032703041811 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.920044656503527 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.59941504477141 variable y0 equal ${yi} variable y0 equal 3.61995392604006 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.54351456640837 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.68936000628603 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 432 -2.9871562 -0.68079701 -0.66282209 433 -2.9871562 -0.68079701 -0.69613081 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.69613080798001 variable naccept equal ${increment} variable naccept equal 165 next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.75239680647192 variable y0 equal ${yi} variable y0 equal 8.22711012281474 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.77505602478323 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.19277658380565 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 433 -2.9871562 -0.69613081 -0.69613081 434 -2.9871562 -0.69613081 -0.63821022 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.75239680647192 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.22711012281474 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.14124523719006 variable y0 equal ${yi} variable y0 equal 7.51275172558093 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.14560641368084 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.57244667139316 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 434 -2.9871562 -0.69613081 -0.63821022 435 -2.9871562 -0.69613081 -0.66458857 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.14124523719006 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.51275172558093 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.13253129164086 variable y0 equal ${yi} variable y0 equal 3.65379038615358 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.04630065599785 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.55691721005571 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 435 -2.9871562 -0.69613081 -0.66458857 436 -2.9871562 -0.69613081 -0.50020529 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.13253129164086 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.65379038615358 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.89841231384918 variable y0 equal ${yi} variable y0 equal 1.04761657308372 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.8845204738681 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 1.04688491414817 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 436 -2.9871562 -0.69613081 -0.50020529 437 -2.9871562 -0.69613081 -0.69634254 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.696342540664597 variable naccept equal ${increment} variable naccept equal 166 next iter jump SELF loop variable i equal ${irandom} variable i equal 23 variable x0 equal ${xi} variable x0 equal 1.15621249993496 variable y0 equal ${yi} variable y0 equal 1.78515173575944 set atom $i x ${xnew} set atom 23 x ${xnew} set atom 23 x 1.17116021235638 1 settings made for x set atom $i y ${ynew} set atom 23 y ${ynew} set atom 23 y 1.7085529484517 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 437 -2.9871562 -0.69634254 -0.69634254 438 -2.9871562 -0.69634254 -0.63091112 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 23 x ${x0} set atom 23 x 1.15621249993496 1 settings made for x set atom $i y ${y0} set atom 23 y ${y0} set atom 23 y 1.78515173575944 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 10 variable x0 equal ${xi} variable x0 equal 4.86377175688087 variable y0 equal ${yi} variable y0 equal 0.979123874414294 set atom $i x ${xnew} set atom 10 x ${xnew} set atom 10 x 4.84791668295204 1 settings made for x set atom $i y ${ynew} set atom 10 y ${ynew} set atom 10 y 1.02251362394127 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 438 -2.9871562 -0.69634254 -0.63091112 439 -2.9871562 -0.69634254 -0.69035981 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 10 x ${x0} set atom 10 x 4.86377175688087 1 settings made for x set atom $i y ${y0} set atom 10 y ${y0} set atom 10 y 0.979123874414294 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.12892665583641 variable y0 equal ${yi} variable y0 equal 6.566815645852 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 9.16566354949028 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.59235119358531 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 439 -2.9871562 -0.69634254 -0.69035981 440 -2.9871562 -0.69634254 -0.69152529 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 78 x ${x0} set atom 78 x 9.12892665583641 1 settings made for x set atom $i y ${y0} set atom 78 y ${y0} set atom 78 y 6.566815645852 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.04694936870433 variable y0 equal ${yi} variable y0 equal 6.52130033508768 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 8.12744101880885 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.56631985441675 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 440 -2.9871562 -0.69634254 -0.69152529 441 -2.9871562 -0.69634254 -0.7244268 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.72442679734782 variable naccept equal ${increment} variable naccept equal 167 next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.39214122374269 variable y0 equal ${yi} variable y0 equal 7.32321853962206 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.36542353708955 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.24927220669054 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 441 -2.9871562 -0.7244268 -0.7244268 442 -2.9871562 -0.7244268 -0.43857043 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.39214122374269 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.32321853962206 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 37 variable x0 equal ${xi} variable x0 equal 8.47960474648897 variable y0 equal ${yi} variable y0 equal 1.80078221938676 set atom $i x ${xnew} set atom 37 x ${xnew} set atom 37 x 8.49348578610842 1 settings made for x set atom $i y ${ynew} set atom 37 y ${ynew} set atom 37 y 1.80821938893861 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 442 -2.9871562 -0.7244268 -0.43857043 443 -2.9871562 -0.7244268 -0.72571206 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.725712057512812 variable naccept equal ${increment} variable naccept equal 168 next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.64626271923018 variable y0 equal ${yi} variable y0 equal 4.59080871695444 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.73121382196379 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.59236890429422 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 443 -2.9871562 -0.72571206 -0.72571206 444 -2.9871562 -0.72571206 -0.69616183 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.64626271923018 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.59080871695444 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.3526916984578 variable y0 equal ${yi} variable y0 equal 0.79871677945885 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.3580195311566 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.876792534101337 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 444 -2.9871562 -0.72571206 -0.69616183 445 -2.9871562 -0.72571206 -0.83374846 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.833748461449161 variable naccept equal ${increment} variable naccept equal 169 next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.69907911896487 variable y0 equal ${yi} variable y0 equal 6.46656938330165 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.79258576512118 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.3892257763528 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 445 -2.9871562 -0.83374846 -0.83374846 446 -2.9871562 -0.83374846 -0.76294504 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.69907911896487 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.46656938330165 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.20485454518349 variable y0 equal ${yi} variable y0 equal 4.87068404311105 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.14132251460106 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.91687022799417 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 446 -2.9871562 -0.83374846 -0.76294504 447 -2.9871562 -0.83374846 -0.83968471 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.839684713491453 variable naccept equal ${increment} variable naccept equal 170 next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 1.93844582477913 variable y0 equal ${yi} variable y0 equal 9.28443172681659 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 1.90599263349877 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y 9.19636369455188 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 447 -2.9871562 -0.83968471 -0.83968471 448 -2.9871562 -0.83968471 -0.73232511 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 1.93844582477913 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 9.28443172681659 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.12892665583641 variable y0 equal ${yi} variable y0 equal 6.566815645852 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 9.1799755902961 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.56346605555049 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 448 -2.9871562 -0.83968471 -0.73232511 449 -2.9871562 -0.83968471 -0.84562458 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.845624583064159 variable naccept equal ${increment} variable naccept equal 171 next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.97641189375564 variable y0 equal ${yi} variable y0 equal 2.79607654782632 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 6.91550807037994 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.76178218098977 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 449 -2.9871562 -0.84562458 -0.84562458 450 -2.9871562 -0.84562458 -0.78590212 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.97641189375564 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.79607654782632 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 62 variable x0 equal ${xi} variable x0 equal 0.670342476764585 variable y0 equal ${yi} variable y0 equal 6.59568084017267 set atom $i x ${xnew} set atom 62 x ${xnew} set atom 62 x 0.62701316634741 1 settings made for x set atom $i y ${ynew} set atom 62 y ${ynew} set atom 62 y 6.6135581208848 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 450 -2.9871562 -0.84562458 -0.78590212 451 -2.9871562 -0.84562458 -0.79170794 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 62 x ${x0} set atom 62 x 0.670342476764585 1 settings made for x set atom $i y ${y0} set atom 62 y ${y0} set atom 62 y 6.59568084017267 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal -0.00359064340591434 variable y0 equal ${yi} variable y0 equal 0.0381360530853272 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 0.0401515126228332 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 0.051648759841919 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 451 -2.9871562 -0.84562458 -0.79170794 452 -2.9871562 -0.84562458 -0.74997254 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 1 x ${x0} set atom 1 x -0.00359064340591434 1 settings made for x set atom $i y ${y0} set atom 1 y ${y0} set atom 1 y 0.0381360530853272 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.37933925469132 variable y0 equal ${yi} variable y0 equal 5.58286277001101 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.47349561531754 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.50000146572787 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 452 -2.9871562 -0.84562458 -0.74997254 453 -2.9871562 -0.84562458 -0.82564283 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.37933925469132 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.58286277001101 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.2262481812498 variable y0 equal ${yi} variable y0 equal 2.83032892915109 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.3209650997183 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.73197911950448 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 453 -2.9871562 -0.84562458 -0.82564283 454 -2.9871562 -0.84562458 -0.76912295 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.2262481812498 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.83032892915109 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 23 variable x0 equal ${xi} variable x0 equal 1.15621249993496 variable y0 equal ${yi} variable y0 equal 1.78515173575944 set atom $i x ${xnew} set atom 23 x ${xnew} set atom 23 x 1.15155310948544 1 settings made for x set atom $i y ${ynew} set atom 23 y ${ynew} set atom 23 y 1.8275491871602 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 454 -2.9871562 -0.84562458 -0.76912295 455 -2.9871562 -0.84562458 -0.85236367 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.852363666350836 variable naccept equal ${increment} variable naccept equal 172 next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 10.6419550736599 variable y0 equal ${yi} variable y0 equal 5.43447923605638 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 10.6194513638668 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.51495547239976 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 455 -2.9871562 -0.85236367 -0.85236367 456 -2.9871562 -0.85236367 -0.86191741 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.861917405416603 variable naccept equal ${increment} variable naccept equal 173 next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.64626271923018 variable y0 equal ${yi} variable y0 equal 4.59080871695444 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.69588495691252 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.61304315680429 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 456 -2.9871562 -0.86191741 -0.86191741 457 -2.9871562 -0.86191741 -0.86625399 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.866253987663703 variable naccept equal ${increment} variable naccept equal 174 next iter jump SELF loop variable i equal ${irandom} variable i equal 93 variable x0 equal ${xi} variable x0 equal 6.39294121979791 variable y0 equal ${yi} variable y0 equal 7.42644421186709 set atom $i x ${xnew} set atom 93 x ${xnew} set atom 93 x 6.38658518313486 1 settings made for x set atom $i y ${ynew} set atom 93 y ${ynew} set atom 93 y 7.46601674881243 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 457 -2.9871562 -0.86625399 -0.86625399 458 -2.9871562 -0.86625399 -0.88886353 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.888863533175298 variable naccept equal ${increment} variable naccept equal 175 next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.05527156868621 variable y0 equal ${yi} variable y0 equal 4.53311400765344 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.10399909296676 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.54287984723016 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 458 -2.9871562 -0.88886353 -0.88886353 459 -2.9871562 -0.88886353 -0.88307256 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.05527156868621 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.53311400765344 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 10 variable x0 equal ${xi} variable x0 equal 4.86377175688087 variable y0 equal ${yi} variable y0 equal 0.979123874414294 set atom $i x ${xnew} set atom 10 x ${xnew} set atom 10 x 4.93643027185737 1 settings made for x set atom $i y ${ynew} set atom 10 y ${ynew} set atom 10 y 0.935460694539874 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 459 -2.9871562 -0.88886353 -0.88307256 460 -2.9871562 -0.88886353 -0.86062542 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 10 x ${x0} set atom 10 x 4.86377175688087 1 settings made for x set atom $i y ${y0} set atom 10 y ${y0} set atom 10 y 0.979123874414294 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.0944710194955 variable y0 equal ${yi} variable y0 equal 4.65609761828349 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.07701476215221 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.75187495106624 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 460 -2.9871562 -0.88886353 -0.86062542 461 -2.9871562 -0.88886353 -0.87932292 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 56 x ${x0} set atom 56 x 8.0944710194955 1 settings made for x set atom $i y ${y0} set atom 56 y ${y0} set atom 56 y 4.65609761828349 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.21781034866239 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y -0.0193086504936243 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 461 -2.9871562 -0.88886353 -0.87932292 462 -2.9871562 -0.88886353 -0.84113792 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.49241850216161 variable y0 equal ${yi} variable y0 equal 3.62302048964632 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.46428811390172 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.72214555306566 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 462 -2.9871562 -0.88886353 -0.84113792 463 -2.9871562 -0.88886353 -0.86531853 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 55 x ${x0} set atom 55 x 7.49241850216161 1 settings made for x set atom $i y ${y0} set atom 55 y ${y0} set atom 55 y 3.62302048964632 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.636496813693905 variable y0 equal ${yi} variable y0 equal 2.67731568786004 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.703246589103603 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.73100906583169 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 463 -2.9871562 -0.88886353 -0.86531853 464 -2.9871562 -0.88886353 -0.85111057 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.636496813693905 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.67731568786004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.13253129164086 variable y0 equal ${yi} variable y0 equal 3.65379038615358 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.0545358721386 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.56091283126009 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 464 -2.9871562 -0.88886353 -0.85111057 465 -2.9871562 -0.88886353 -0.71392224 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.13253129164086 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.65379038615358 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 73 variable x0 equal ${xi} variable x0 equal 6.42834627150613 variable y0 equal ${yi} variable y0 equal 5.4691439980765 set atom $i x ${xnew} set atom 73 x ${xnew} set atom 73 x 6.5081527423771 1 settings made for x set atom $i y ${ynew} set atom 73 y ${ynew} set atom 73 y 5.47238255684573 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 465 -2.9871562 -0.88886353 -0.71392224 466 -2.9871562 -0.88886353 -0.86866568 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 73 x ${x0} set atom 73 x 6.42834627150613 1 settings made for x set atom $i y ${y0} set atom 73 y ${y0} set atom 73 y 5.4691439980765 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.50235789218808 variable y0 equal ${yi} variable y0 equal 3.73372400565278 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.51600958505536 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.73383900685441 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 466 -2.9871562 -0.88886353 -0.86866568 467 -2.9871562 -0.88886353 -0.87868054 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 51 x ${x0} set atom 51 x 5.50235789218808 1 settings made for x set atom $i y ${y0} set atom 51 y ${y0} set atom 51 y 3.73372400565278 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.80888134757167 variable y0 equal ${yi} variable y0 equal 2.87047326537469 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.83821101704723 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.93459080430368 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 467 -2.9871562 -0.88886353 -0.87868054 468 -2.9871562 -0.88886353 -0.86683867 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.80888134757167 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.87047326537469 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.97641189375564 variable y0 equal ${yi} variable y0 equal 2.79607654782632 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 6.974634220988 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.75589405270913 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 468 -2.9871562 -0.88886353 -0.86683867 469 -2.9871562 -0.88886353 -0.85257734 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.97641189375564 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.79607654782632 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.15834543148385 variable y0 equal ${yi} variable y0 equal 1.95142827413148 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.12454481760369 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.94046374938554 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 469 -2.9871562 -0.88886353 -0.85257734 470 -2.9871562 -0.88886353 -0.88442556 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.15834543148385 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.95142827413148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.39214122374269 variable y0 equal ${yi} variable y0 equal 7.32321853962206 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.35480908234331 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.28787796821856 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 470 -2.9871562 -0.88886353 -0.88442556 471 -2.9871562 -0.88886353 -0.75982853 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.39214122374269 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.32321853962206 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.75239680647192 variable y0 equal ${yi} variable y0 equal 8.22711012281474 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.66485737203894 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.14631723083552 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 471 -2.9871562 -0.88886353 -0.75982853 472 -2.9871562 -0.88886353 -0.73311386 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.75239680647192 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.22711012281474 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 38 variable x0 equal ${xi} variable x0 equal 9.17907547671348 variable y0 equal ${yi} variable y0 equal 2.72399175139764 set atom $i x ${xnew} set atom 38 x ${xnew} set atom 38 x 9.13396360594779 1 settings made for x set atom $i y ${ynew} set atom 38 y ${ynew} set atom 38 y 2.69964367123941 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 472 -2.9871562 -0.88886353 -0.73311386 473 -2.9871562 -0.88886353 -0.89031801 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.890318005719568 variable naccept equal ${increment} variable naccept equal 176 next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 0.0309651374816895 variable y0 equal ${yi} variable y0 equal 1.96139423034257 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x -0.0381707668304443 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 2.02808933637208 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 473 -2.9871562 -0.89031801 -0.89031801 474 -2.9871562 -0.89031801 -0.85447669 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 21 x ${x0} set atom 21 x 0.0309651374816895 1 settings made for x set atom $i y ${y0} set atom 21 y ${y0} set atom 21 y 1.96139423034257 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.58716782489245 variable y0 equal ${yi} variable y0 equal 7.40188271131778 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.55186419644778 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.39371643390918 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 474 -2.9871562 -0.89031801 -0.85447669 475 -2.9871562 -0.89031801 -0.86889161 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 97 x ${x0} set atom 97 x 8.58716782489245 1 settings made for x set atom $i y ${y0} set atom 97 y ${y0} set atom 97 y 7.40188271131778 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 38 variable x0 equal ${xi} variable x0 equal 9.13396360594779 variable y0 equal ${yi} variable y0 equal 2.69964367123941 set atom $i x ${xnew} set atom 38 x ${xnew} set atom 38 x 9.23381229359656 1 settings made for x set atom $i y ${ynew} set atom 38 y ${ynew} set atom 38 y 2.76145812245706 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 475 -2.9871562 -0.89031801 -0.86889161 476 -2.9871562 -0.89031801 -0.87623167 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 38 x ${x0} set atom 38 x 9.13396360594779 1 settings made for x set atom $i y ${y0} set atom 38 y ${y0} set atom 38 y 2.69964367123941 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.44501340229284 variable y0 equal ${yi} variable y0 equal 0.0728780150413514 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.52416012127172 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y 0.163225507736206 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 476 -2.9871562 -0.89031801 -0.87623167 477 -2.9871562 -0.89031801 -0.83351133 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.44501340229284 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.0728780150413514 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.17658477782765 variable y0 equal ${yi} variable y0 equal 3.80986476702821 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.15053440093556 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.81802417798173 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 477 -2.9871562 -0.89031801 -0.83351133 478 -2.9871562 -0.89031801 -0.87366868 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.17658477782765 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.80986476702821 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.28540751695195 variable y0 equal ${yi} variable y0 equal 5.54694495146471 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.23822855710545 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.53474653904634 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 478 -2.9871562 -0.89031801 -0.87366868 479 -2.9871562 -0.89031801 -0.88572498 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 67 x ${x0} set atom 67 x 3.28540751695195 1 settings made for x set atom $i y ${y0} set atom 67 y ${y0} set atom 67 y 5.54694495146471 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.05527156868621 variable y0 equal ${yi} variable y0 equal 4.53311400765344 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.10271323004409 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.45094821804925 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 479 -2.9871562 -0.89031801 -0.88572498 480 -2.9871562 -0.89031801 -0.83719732 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.05527156868621 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.53311400765344 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.2623671062729 variable y0 equal ${yi} variable y0 equal 1.85691285512513 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.33299971897813 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.87642453095979 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 480 -2.9871562 -0.89031801 -0.83719732 481 -2.9871562 -0.89031801 -0.89699502 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.896995015424718 variable naccept equal ${increment} variable naccept equal 177 next iter jump SELF loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.28540751695195 variable y0 equal ${yi} variable y0 equal 5.54694495146471 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.3012590146021 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.54728171770769 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 481 -2.9871562 -0.89699502 -0.89699502 482 -2.9871562 -0.89699502 -0.89726848 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.897268482996803 variable naccept equal ${increment} variable naccept equal 178 next iter jump SELF loop variable i equal ${irandom} variable i equal 87 variable x0 equal ${xi} variable x0 equal 3.19670169114628 variable y0 equal ${yi} variable y0 equal 7.45894124832415 set atom $i x ${xnew} set atom 87 x ${xnew} set atom 87 x 3.28887386083164 1 settings made for x set atom $i y ${ynew} set atom 87 y ${ynew} set atom 87 y 7.48794988718295 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 482 -2.9871562 -0.89726848 -0.89726848 483 -2.9871562 -0.89726848 -0.87607999 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 87 x ${x0} set atom 87 x 3.19670169114628 1 settings made for x set atom $i y ${y0} set atom 87 y ${y0} set atom 87 y 7.45894124832415 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.13253129164086 variable y0 equal ${yi} variable y0 equal 3.65379038615358 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.22771677414284 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.74925063414705 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 483 -2.9871562 -0.89726848 -0.87607999 484 -2.9871562 -0.89726848 -0.88577969 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.13253129164086 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.65379038615358 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.94675312637188 variable y0 equal ${yi} variable y0 equal 0.975284381616443 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.96087540983059 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 1.01541907380852 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 484 -2.9871562 -0.89726848 -0.88577969 485 -2.9871562 -0.89726848 -0.88119407 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.94675312637188 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.975284381616443 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.49241850216161 variable y0 equal ${yi} variable y0 equal 3.62302048964632 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.55287954647313 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.68441688580645 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 485 -2.9871562 -0.89726848 -0.88119407 486 -2.9871562 -0.89726848 -0.8225804 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 55 x ${x0} set atom 55 x 7.49241850216161 1 settings made for x set atom $i y ${y0} set atom 55 y ${y0} set atom 55 y 3.62302048964632 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.13253129164086 variable y0 equal ${yi} variable y0 equal 3.65379038615358 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.16361460129128 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.71165227456224 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 486 -2.9871562 -0.89726848 -0.8225804 487 -2.9871562 -0.89726848 -0.91656709 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.916567088391419 variable naccept equal ${increment} variable naccept equal 179 next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 10.6194513638668 variable y0 equal ${yi} variable y0 equal 5.51495547239976 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 10.6834881861858 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.59726129715638 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 487 -2.9871562 -0.91656709 -0.91656709 488 -2.9871562 -0.91656709 -0.89446365 Loop time of 8.10623e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 61 x ${x0} set atom 61 x 10.6194513638668 1 settings made for x set atom $i y ${y0} set atom 61 y ${y0} set atom 61 y 5.51495547239976 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.44501340229284 variable y0 equal ${yi} variable y0 equal 0.0728780150413514 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.51193849880468 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y 0.0850179195404054 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 488 -2.9871562 -0.91656709 -0.89446365 489 -2.9871562 -0.91656709 -0.90717998 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.44501340229284 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.0728780150413514 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.1799755902961 variable y0 equal ${yi} variable y0 equal 6.56346605555049 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 9.23478496987374 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.49416983858577 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 489 -2.9871562 -0.91656709 -0.90717998 490 -2.9871562 -0.91656709 -0.87964192 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 78 x ${x0} set atom 78 x 9.1799755902961 1 settings made for x set atom $i y ${y0} set atom 78 y ${y0} set atom 78 y 6.56346605555049 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.58777606367846 variable y0 equal ${yi} variable y0 equal 2.84301091405252 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.53418493151446 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.84258589717248 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 490 -2.9871562 -0.91656709 -0.87964192 491 -2.9871562 -0.91656709 -0.87622614 Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms 2383.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 24 x ${x0} set atom 24 x 1.58777606367846 1 settings made for x set atom $i y ${y0} set atom 24 y ${y0} set atom 24 y 2.84301091405252 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 8 variable x0 equal ${xi} variable x0 equal 3.64581083575373 variable y0 equal ${yi} variable y0 equal 1.1294338900927 set atom $i x ${xnew} set atom 8 x ${xnew} set atom 8 x 3.71182399312144 1 settings made for x set atom $i y ${ynew} set atom 8 y ${ynew} set atom 8 y 1.11174833368096 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 491 -2.9871562 -0.91656709 -0.87622614 492 -2.9871562 -0.91656709 -0.93991406 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.939914055610286 variable naccept equal ${increment} variable naccept equal 180 next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.80888134757167 variable y0 equal ${yi} variable y0 equal 2.87047326537469 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.81457791844493 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.9390703198562 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 492 -2.9871562 -0.93991406 -0.93991406 493 -2.9871562 -0.93991406 -0.92351205 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.80888134757167 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.87047326537469 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.14124523719006 variable y0 equal ${yi} variable y0 equal 7.51275172558093 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.23123144229107 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.42433375444674 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 493 -2.9871562 -0.93991406 -0.92351205 494 -2.9871562 -0.93991406 -0.90577262 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.14124523719006 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.51275172558093 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.75239680647192 variable y0 equal ${yi} variable y0 equal 8.22711012281474 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.69303737520514 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.23017823614177 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 494 -2.9871562 -0.93991406 -0.90577262 495 -2.9871562 -0.93991406 -0.93576846 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.75239680647192 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.22711012281474 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.528223629394438 variable y0 equal ${yi} variable y0 equal 1.0003870446566 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.609000296989348 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.984621043908919 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 495 -2.9871562 -0.93991406 -0.93576846 496 -2.9871562 -0.93991406 -0.9639994 Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms 2380.7% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.963999395410182 variable naccept equal ${increment} variable naccept equal 181 next iter jump SELF loop variable i equal ${irandom} variable i equal 9 variable x0 equal ${xi} variable x0 equal 4.31488733370514 variable y0 equal ${yi} variable y0 equal 0.0164698362350535 set atom $i x ${xnew} set atom 9 x ${xnew} set atom 9 x 4.30661763031693 1 settings made for x set atom $i y ${ynew} set atom 9 y ${ynew} set atom 9 y -0.0829510688781667 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 496 -2.9871562 -0.9639994 -0.9639994 497 -2.9871562 -0.9639994 -0.96260988 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 9 x ${x0} set atom 9 x 4.31488733370514 1 settings made for x set atom $i y ${y0} set atom 9 y ${y0} set atom 9 y 0.0164698362350535 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.18878640571939 variable y0 equal ${yi} variable y0 equal 5.5354710811873 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.17021684090005 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.59528572504716 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 497 -2.9871562 -0.9639994 -0.96260988 498 -2.9871562 -0.9639994 -0.95195437 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.18878640571939 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.5354710811873 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 75 variable x0 equal ${xi} variable x0 equal 7.43141517479192 variable y0 equal ${yi} variable y0 equal 5.56478210632998 set atom $i x ${xnew} set atom 75 x ${xnew} set atom 75 x 7.51571308214437 1 settings made for x set atom $i y ${ynew} set atom 75 y ${ynew} set atom 75 y 5.64280260746676 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 498 -2.9871562 -0.9639994 -0.95195437 499 -2.9871562 -0.9639994 -0.95291895 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 75 x ${x0} set atom 75 x 7.43141517479192 1 settings made for x set atom $i y ${y0} set atom 75 y ${y0} set atom 75 y 5.56478210632998 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.3012590146021 variable y0 equal ${yi} variable y0 equal 5.54728171770769 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.23520749568502 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.53982411568361 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 499 -2.9871562 -0.9639994 -0.95291895 500 -2.9871562 -0.9639994 -0.95857915 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 67 x ${x0} set atom 67 x 3.3012590146021 1 settings made for x set atom $i y ${y0} set atom 67 y ${y0} set atom 67 y 5.54728171770769 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 6.03489085395328 variable y0 equal ${yi} variable y0 equal 4.55223173254892 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 6.06574318368427 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.63367779606744 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 500 -2.9871562 -0.9639994 -0.95857915 501 -2.9871562 -0.9639994 -0.932836 Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms 2383.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 6.03489085395328 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.55223173254892 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.37933925469132 variable y0 equal ${yi} variable y0 equal 5.58286277001101 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.30351765234681 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.67239878123003 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 501 -2.9871562 -0.9639994 -0.932836 502 -2.9871562 -0.9639994 -0.95360525 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.37933925469132 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.58286277001101 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.65137007117053 variable y0 equal ${yi} variable y0 equal 4.58490908497735 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.56707957863589 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.49000581854745 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 502 -2.9871562 -0.9639994 -0.95360525 503 -2.9871562 -0.9639994 -0.93084143 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.65137007117053 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.58490908497735 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.2262481812498 variable y0 equal ${yi} variable y0 equal 2.83032892915109 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.201530552294 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.91622455092767 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 503 -2.9871562 -0.9639994 -0.93084143 504 -2.9871562 -0.9639994 -0.95018356 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.2262481812498 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.83032892915109 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 0.0309651374816895 variable y0 equal ${yi} variable y0 equal 1.96139423034257 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x 0.0538676500320435 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.89676245830125 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 504 -2.9871562 -0.9639994 -0.95018356 505 -2.9871562 -0.9639994 -0.98671044 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.986710437088353 variable naccept equal ${increment} variable naccept equal 182 next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.85538826822578 variable y0 equal ${yi} variable y0 equal 2.91704781028131 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 4.83482123255073 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.90886334153512 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 505 -2.9871562 -0.98671044 -0.98671044 506 -2.9871562 -0.98671044 -0.98721841 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -0.987218412835963 variable naccept equal ${increment} variable naccept equal 183 next iter jump SELF loop variable i equal ${irandom} variable i equal 81 variable x0 equal ${xi} variable x0 equal 0.0324743509292791 variable y0 equal ${yi} variable y0 equal 7.35604211416506 set atom $i x ${xnew} set atom 81 x ${xnew} set atom 81 x 0.0200411319732854 1 settings made for x set atom $i y ${ynew} set atom 81 y ${ynew} set atom 81 y 7.26692909326815 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 506 -2.9871562 -0.98721841 -0.98721841 507 -2.9871562 -0.98721841 -0.78827279 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 81 x ${x0} set atom 81 x 0.0324743509292791 1 settings made for x set atom $i y ${y0} set atom 81 y ${y0} set atom 81 y 7.35604211416506 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 42 variable x0 equal ${xi} variable x0 equal 0.389929051795865 variable y0 equal ${yi} variable y0 equal 4.66520722264215 set atom $i x ${xnew} set atom 42 x ${xnew} set atom 42 x 0.453980632224942 1 settings made for x set atom $i y ${ynew} set atom 42 y ${ynew} set atom 42 y 4.56575111502573 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 507 -2.9871562 -0.98721841 -0.78827279 508 -2.9871562 -0.98721841 -0.97613202 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 42 x ${x0} set atom 42 x 0.389929051795865 1 settings made for x set atom $i y ${y0} set atom 42 y ${y0} set atom 42 y 4.66520722264215 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.70367804964019 variable y0 equal ${yi} variable y0 equal 0.934533329713668 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.62075852354003 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 0.885039313543166 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 508 -2.9871562 -0.98721841 -0.97613202 509 -2.9871562 -0.98721841 -0.98324775 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 6 x ${x0} set atom 6 x 2.70367804964019 1 settings made for x set atom $i y ${y0} set atom 6 y ${y0} set atom 6 y 0.934533329713668 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 73 variable x0 equal ${xi} variable x0 equal 6.42834627150613 variable y0 equal ${yi} variable y0 equal 5.4691439980765 set atom $i x ${xnew} set atom 73 x ${xnew} set atom 73 x 6.33605608462411 1 settings made for x set atom $i y ${ynew} set atom 73 y ${ynew} set atom 73 y 5.51777298395831 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 509 -2.9871562 -0.98721841 -0.98324775 510 -2.9871562 -0.98721841 -0.9309481 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 73 x ${x0} set atom 73 x 6.42834627150613 1 settings made for x set atom $i y ${y0} set atom 73 y ${y0} set atom 73 y 5.4691439980765 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 81 variable x0 equal ${xi} variable x0 equal 0.0324743509292791 variable y0 equal ${yi} variable y0 equal 7.35604211416506 set atom $i x ${xnew} set atom 81 x ${xnew} set atom 81 x 0.0322040319442937 1 settings made for x set atom $i y ${ynew} set atom 81 y ${ynew} set atom 81 y 7.38692112293505 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 510 -2.9871562 -0.98721841 -0.9309481 511 -2.9871562 -0.98721841 -1.0056265 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.00562648061524 variable naccept equal ${increment} variable naccept equal 184 next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.58716782489245 variable y0 equal ${yi} variable y0 equal 7.40188271131778 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.64328949609225 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.40728055563236 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 511 -2.9871562 -1.0056265 -1.0056265 512 -2.9871562 -1.0056265 -1.0232675 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.02326748475135 variable naccept equal ${increment} variable naccept equal 185 next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.97641189375564 variable y0 equal ${yi} variable y0 equal 2.79607654782632 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 7.01354279795333 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.75407738658288 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 512 -2.9871562 -1.0232675 -1.0232675 513 -2.9871562 -1.0232675 -0.97235281 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.97641189375564 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.79607654782632 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 6.03489085395328 variable y0 equal ${yi} variable y0 equal 4.55223173254892 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 6.12476801831714 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.5479519760029 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 513 -2.9871562 -1.0232675 -0.97235281 514 -2.9871562 -1.0232675 -0.9733093 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 6.03489085395328 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.55223173254892 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.94675312637188 variable y0 equal ${yi} variable y0 equal 0.975284381616443 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.89360781310894 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 0.970815511453479 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 514 -2.9871562 -1.0232675 -0.9733093 515 -2.9871562 -1.0232675 -1.0238261 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.02382614480157 variable naccept equal ${increment} variable naccept equal 186 next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.11236243842937 variable y0 equal ${yi} variable y0 equal 8.24853718198832 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.16749274133541 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.34748827137049 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 515 -2.9871562 -1.0238261 -1.0238261 516 -2.9871562 -1.0238261 -0.95167848 Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms 2383.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.11236243842937 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.24853718198832 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.69907911896487 variable y0 equal ${yi} variable y0 equal 6.46656938330165 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.73431064963122 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.40972129837504 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 516 -2.9871562 -1.0238261 -0.95167848 517 -2.9871562 -1.0238261 -1.0061933 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.69907911896487 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.46656938330165 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.71809613902999 variable y0 equal ${yi} variable y0 equal 6.45324923531046 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.78488953311874 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.49416505829325 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 517 -2.9871562 -1.0238261 -1.0061933 518 -2.9871562 -1.0238261 -1.0277688 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.02776876335561 variable naccept equal ${increment} variable naccept equal 187 next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.74200649777537 variable y0 equal ${yi} variable y0 equal 8.32967373050746 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.69423400679713 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.37340822137889 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 518 -2.9871562 -1.0277688 -1.0277688 519 -2.9871562 -1.0277688 -0.97298252 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.74200649777537 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.32967373050746 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 99 variable x0 equal ${xi} variable x0 equal 9.8102262306082 variable y0 equal ${yi} variable y0 equal 7.35523183670306 set atom $i x ${xnew} set atom 99 x ${xnew} set atom 99 x 9.79539506910918 1 settings made for x set atom $i y ${ynew} set atom 99 y ${ynew} set atom 99 y 7.31491797294879 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 519 -2.9871562 -1.0277688 -0.97298252 520 -2.9871562 -1.0277688 -1.0338351 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.03383507967303 variable naccept equal ${increment} variable naccept equal 188 next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.03878695090466 variable y0 equal ${yi} variable y0 equal 3.69885422749651 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 1.05503968318158 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.70494679970873 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 520 -2.9871562 -1.0338351 -1.0338351 521 -2.9871562 -1.0338351 -1.0336409 Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms 2383.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.03364089763611 variable naccept equal ${increment} variable naccept equal 189 next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.97641189375564 variable y0 equal ${yi} variable y0 equal 2.79607654782632 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 7.03693694153472 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.80541259023049 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 521 -2.9871562 -1.0336409 -1.0336409 522 -2.9871562 -1.0336409 -0.99916001 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.97641189375564 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.79607654782632 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 42 variable x0 equal ${xi} variable x0 equal 0.389929051795865 variable y0 equal ${yi} variable y0 equal 4.66520722264215 set atom $i x ${xnew} set atom 42 x ${xnew} set atom 42 x 0.452082355419064 1 settings made for x set atom $i y ${ynew} set atom 42 y ${ynew} set atom 42 y 4.6216128265278 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 522 -2.9871562 -1.0336409 -0.99916001 523 -2.9871562 -1.0336409 -1.0463628 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.04636276339571 variable naccept equal ${increment} variable naccept equal 190 next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.4842599514982 variable y0 equal ${yi} variable y0 equal 6.47453133598796 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.4157506708166 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.43439372316829 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 523 -2.9871562 -1.0463628 -1.0463628 524 -2.9871562 -1.0463628 -1.0723561 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.07235605530644 variable naccept equal ${increment} variable naccept equal 191 next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.30100279251004 variable y0 equal ${yi} variable y0 equal 7.47468527879977 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.29530951181317 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.46676344003939 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 524 -2.9871562 -1.0723561 -1.0723561 525 -2.9871562 -1.0723561 -1.0678198 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.30100279251004 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.47468527879977 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.43885856071379 variable y0 equal ${yi} variable y0 equal 5.558475553443 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.49106645980742 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.52063305323319 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 525 -2.9871562 -1.0723561 -1.0678198 526 -2.9871562 -1.0723561 -1.0502957 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.43885856071379 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.558475553443 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.69588495691252 variable y0 equal ${yi} variable y0 equal 4.61304315680429 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.67914612645074 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 526 -2.9871562 -1.0723561 -1.0502957 527 -2.9871562 -1.0723561 -1.0885874 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.08858738769647 variable naccept equal ${increment} variable naccept equal 192 next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.0944710194955 variable y0 equal ${yi} variable y0 equal 4.65609761828349 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.0131996929536 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.75257790440486 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 527 -2.9871562 -1.0885874 -1.0885874 528 -2.9871562 -1.0885874 -1.0638265 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 56 x ${x0} set atom 56 x 8.0944710194955 1 settings made for x set atom $i y ${y0} set atom 56 y ${y0} set atom 56 y 4.65609761828349 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.90086858232013 variable y0 equal ${yi} variable y0 equal 2.85332814427712 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.96917489726535 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.94184854003289 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 528 -2.9871562 -1.0885874 -1.0638265 529 -2.9871562 -1.0885874 -0.90647361 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 32 x ${x0} set atom 32 x 5.90086858232013 1 settings made for x set atom $i y ${y0} set atom 32 y ${y0} set atom 32 y 2.85332814427712 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.30100279251004 variable y0 equal ${yi} variable y0 equal 7.47468527879977 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.23131274381543 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.5164034875896 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 529 -2.9871562 -1.0885874 -0.90647361 530 -2.9871562 -1.0885874 -0.86951856 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.30100279251004 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.47468527879977 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 12 variable x0 equal ${xi} variable x0 equal 5.89277292449466 variable y0 equal ${yi} variable y0 equal 0.861734314668505 set atom $i x ${xnew} set atom 12 x ${xnew} set atom 12 x 5.92459598739139 1 settings made for x set atom $i y ${ynew} set atom 12 y ${ynew} set atom 12 y 0.868917449224322 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 530 -2.9871562 -1.0885874 -0.86951856 531 -2.9871562 -1.0885874 -1.0822055 Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms 2380.7% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 12 x ${x0} set atom 12 x 5.89277292449466 1 settings made for x set atom $i y ${y0} set atom 12 y ${y0} set atom 12 y 0.861734314668505 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.35647287765409 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y 0.0709162235259985 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 531 -2.9871562 -1.0885874 -1.0822055 532 -2.9871562 -1.0885874 -1.0567824 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 3 variable x0 equal ${xi} variable x0 equal 0.887986353236964 variable y0 equal ${yi} variable y0 equal 9.30461881864398 set atom $i x ${xnew} set atom 3 x ${xnew} set atom 3 x 0.926390245754054 1 settings made for x set atom $i y ${ynew} set atom 3 y ${ynew} set atom 3 y 9.23904097783893 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 532 -2.9871562 -1.0885874 -1.0567824 533 -2.9871562 -1.0885874 -1.1357873 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.13578732430946 variable naccept equal ${increment} variable naccept equal 193 next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.84334465781337 variable y0 equal ${yi} variable y0 equal 6.64102999702921 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.80639883795863 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.64886432425013 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 533 -2.9871562 -1.1357873 -1.1357873 534 -2.9871562 -1.1357873 -1.1603418 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.16034183744779 variable naccept equal ${increment} variable naccept equal 194 next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.14132251460106 variable y0 equal ${yi} variable y0 equal 4.91687022799417 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.07356384713203 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.91288957947656 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 534 -2.9871562 -1.1603418 -1.1603418 535 -2.9871562 -1.1603418 -1.1542354 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 58 x ${x0} set atom 58 x 9.14132251460106 1 settings made for x set atom $i y ${y0} set atom 58 y ${y0} set atom 58 y 4.91687022799417 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.83310471732608 variable y0 equal ${yi} variable y0 equal 8.3484317771345 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.78838685710422 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.40297114767131 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 535 -2.9871562 -1.1603418 -1.1542354 536 -2.9871562 -1.1603418 -1.1560379 Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms 2383.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.83310471732608 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.3484317771345 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.70367804964019 variable y0 equal ${yi} variable y0 equal 0.934533329713668 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.6697051664157 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 0.985170360315169 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 536 -2.9871562 -1.1603418 -1.1560379 537 -2.9871562 -1.1603418 -1.1655055 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.1655054836766 variable naccept equal ${increment} variable naccept equal 195 next iter jump SELF loop variable i equal ${irandom} variable i equal 98 variable x0 equal ${xi} variable x0 equal 9.1440482588485 variable y0 equal ${yi} variable y0 equal 8.36340260423716 set atom $i x ${xnew} set atom 98 x ${xnew} set atom 98 x 9.16308992821724 1 settings made for x set atom $i y ${ynew} set atom 98 y ${ynew} set atom 98 y 8.28462620891627 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 537 -2.9871562 -1.1655055 -1.1655055 538 -2.9871562 -1.1655055 -1.171623 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.17162303161698 variable naccept equal ${increment} variable naccept equal 196 next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.39214122374269 variable y0 equal ${yi} variable y0 equal 7.32321853962206 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.32937240679475 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.25091127481722 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 538 -2.9871562 -1.171623 -1.171623 539 -2.9871562 -1.171623 -0.84968246 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.39214122374269 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.32321853962206 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.30100279251004 variable y0 equal ${yi} variable y0 equal 7.47468527879977 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.26238644519711 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.56174433555865 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 539 -2.9871562 -1.171623 -0.84968246 540 -2.9871562 -1.171623 -0.9574977 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.30100279251004 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.47468527879977 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 10.6194513638668 variable y0 equal ${yi} variable y0 equal 5.51495547239976 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 10.5860912402325 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.57869628613191 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 540 -2.9871562 -1.171623 -0.9574977 541 -2.9871562 -1.171623 -1.0278727 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 61 x ${x0} set atom 61 x 10.6194513638668 1 settings made for x set atom $i y ${y0} set atom 61 y ${y0} set atom 61 y 5.51495547239976 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.37933925469132 variable y0 equal ${yi} variable y0 equal 5.58286277001101 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.3256844647667 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.58211661522585 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 541 -2.9871562 -1.171623 -1.0278727 542 -2.9871562 -1.171623 -1.1696314 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.37933925469132 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.58286277001101 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.17658477782765 variable y0 equal ${yi} variable y0 equal 3.80986476702821 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.25292225837269 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.7410068945421 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 542 -2.9871562 -1.171623 -1.1696314 543 -2.9871562 -1.171623 -1.1846356 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.18463562648629 variable naccept equal ${increment} variable naccept equal 197 next iter jump SELF loop variable i equal ${irandom} variable i equal 62 variable x0 equal ${xi} variable x0 equal 0.670342476764585 variable y0 equal ${yi} variable y0 equal 6.59568084017267 set atom $i x ${xnew} set atom 62 x ${xnew} set atom 62 x 0.576297290721799 1 settings made for x set atom $i y ${ynew} set atom 62 y ${ynew} set atom 62 y 6.5338054491662 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 543 -2.9871562 -1.1846356 -1.1846356 544 -2.9871562 -1.1846356 -1.1389109 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 62 x ${x0} set atom 62 x 0.670342476764585 1 settings made for x set atom $i y ${y0} set atom 62 y ${y0} set atom 62 y 6.59568084017267 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.19226642608205 variable y0 equal ${yi} variable y0 equal 1.99900682351654 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.13793087958852 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 1.96995517394607 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 544 -2.9871562 -1.1846356 -1.1389109 545 -2.9871562 -1.1846356 -1.1728923 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 27 x ${x0} set atom 27 x 3.19226642608205 1 settings made for x set atom $i y ${y0} set atom 27 y ${y0} set atom 27 y 1.99900682351654 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.14124523719006 variable y0 equal ${yi} variable y0 equal 7.51275172558093 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.14655829985791 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.47608772840762 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 545 -2.9871562 -1.1846356 -1.1728923 546 -2.9871562 -1.1846356 -1.1882644 Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms 2383.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.18826444924548 variable naccept equal ${increment} variable naccept equal 198 next iter jump SELF loop variable i equal ${irandom} variable i equal 99 variable x0 equal ${xi} variable x0 equal 9.79539506910918 variable y0 equal ${yi} variable y0 equal 7.31491797294879 set atom $i x ${xnew} set atom 99 x ${xnew} set atom 99 x 9.83479673145888 1 settings made for x set atom $i y ${ynew} set atom 99 y ${ynew} set atom 99 y 7.36937834348941 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 546 -2.9871562 -1.1882644 -1.1882644 547 -2.9871562 -1.1882644 -1.1612136 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 99 x ${x0} set atom 99 x 9.79539506910918 1 settings made for x set atom $i y ${y0} set atom 99 y ${y0} set atom 99 y 7.31491797294879 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.43885856071379 variable y0 equal ${yi} variable y0 equal 5.558475553443 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.38540015617277 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.61200227682786 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 547 -2.9871562 -1.1882644 -1.1612136 548 -2.9871562 -1.1882644 -1.179579 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.43885856071379 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.558475553443 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.05503968318158 variable y0 equal ${yi} variable y0 equal 3.70494679970873 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 1.05746106227094 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.70282073779238 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 548 -2.9871562 -1.1882644 -1.179579 549 -2.9871562 -1.1882644 -1.1878594 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 43 x ${x0} set atom 43 x 1.05503968318158 1 settings made for x set atom $i y ${y0} set atom 43 y ${y0} set atom 43 y 3.70494679970873 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.64328949609225 variable y0 equal ${yi} variable y0 equal 7.40728055563236 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.63165215411608 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.4836135896709 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 549 -2.9871562 -1.1882644 -1.1878594 550 -2.9871562 -1.1882644 -1.1533465 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 97 x ${x0} set atom 97 x 8.64328949609225 1 settings made for x set atom $i y ${y0} set atom 97 y ${y0} set atom 97 y 7.40728055563236 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.50235789218808 variable y0 equal ${yi} variable y0 equal 3.73372400565278 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.45611415305997 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.81623291535508 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 550 -2.9871562 -1.1882644 -1.1533465 551 -2.9871562 -1.1882644 -1.0631308 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 51 x ${x0} set atom 51 x 5.50235789218808 1 settings made for x set atom $i y ${y0} set atom 51 y ${y0} set atom 51 y 3.73372400565278 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 49 variable x0 equal ${xi} variable x0 equal 4.25381002505036 variable y0 equal ${yi} variable y0 equal 3.80343433184755 set atom $i x ${xnew} set atom 49 x ${xnew} set atom 49 x 4.29856565077515 1 settings made for x set atom $i y ${ynew} set atom 49 y ${ynew} set atom 49 y 3.75675644440782 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 551 -2.9871562 -1.1882644 -1.0631308 552 -2.9871562 -1.1882644 -1.2537413 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.25374129016093 variable naccept equal ${increment} variable naccept equal 199 next iter jump SELF loop variable i equal ${irandom} variable i equal 74 variable x0 equal ${xi} variable x0 equal 7.1464075712268 variable y0 equal ${yi} variable y0 equal 6.56554357544413 set atom $i x ${xnew} set atom 74 x ${xnew} set atom 74 x 7.19690846481964 1 settings made for x set atom $i y ${ynew} set atom 74 y ${ynew} set atom 74 y 6.5210548831605 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 552 -2.9871562 -1.2537413 -1.2537413 553 -2.9871562 -1.2537413 -1.2257889 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 74 x ${x0} set atom 74 x 7.1464075712268 1 settings made for x set atom $i y ${y0} set atom 74 y ${y0} set atom 74 y 6.56554357544413 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.95588066298515 variable y0 equal ${yi} variable y0 equal 0.958170147645798 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 8.86607733685524 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 0.979833896863785 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 553 -2.9871562 -1.2537413 -1.2257889 554 -2.9871562 -1.2537413 -1.2007187 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 8.95588066298515 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.958170147645798 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.25292225837269 variable y0 equal ${yi} variable y0 equal 3.7410068945421 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.28529538869419 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.75018524689806 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 554 -2.9871562 -1.2537413 -1.2007187 555 -2.9871562 -1.2537413 -1.2401067 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.25292225837269 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.7410068945421 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.69907911896487 variable y0 equal ${yi} variable y0 equal 6.46656938330165 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.70111999392291 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.45056509510509 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 555 -2.9871562 -1.2537413 -1.2401067 556 -2.9871562 -1.2537413 -1.2528973 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.25289727552546 variable naccept equal ${increment} variable naccept equal 200 next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.80639883795863 variable y0 equal ${yi} variable y0 equal 6.64886432425013 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.86946899214869 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.6192339970254 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 556 -2.9871562 -1.2528973 -1.2528973 557 -2.9871562 -1.2528973 -1.2342341 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 68 x ${x0} set atom 68 x 3.80639883795863 1 settings made for x set atom $i y ${y0} set atom 68 y ${y0} set atom 68 y 6.64886432425013 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.50696252742235 variable y0 equal ${yi} variable y0 equal 5.69319788162904 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.52077838340227 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.77947589104371 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 557 -2.9871562 -1.2528973 -1.2342341 558 -2.9871562 -1.2528973 -1.1743537 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.50696252742235 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.69319788162904 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.31983832835275 variable y0 equal ${yi} variable y0 equal 9.28122769105762 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.24646600007135 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y 9.29231714713901 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 558 -2.9871562 -1.2528973 -1.1743537 559 -2.9871562 -1.2528973 -1.1973995 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.31983832835275 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 9.28122769105762 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 0.0538676500320435 variable y0 equal ${yi} variable y0 equal 1.89676245830125 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x -0.00926936864852902 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.95804303071565 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 559 -2.9871562 -1.2528973 -1.1973995 560 -2.9871562 -1.2528973 -1.244401 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 21 x ${x0} set atom 21 x 0.0538676500320435 1 settings made for x set atom $i y ${y0} set atom 21 y ${y0} set atom 21 y 1.89676245830125 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.15771750847207 variable y0 equal ${yi} variable y0 equal 7.45649659958148 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.15963261762963 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.49809441890979 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 560 -2.9871562 -1.2528973 -1.244401 561 -2.9871562 -1.2528973 -1.2490862 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.15771750847207 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.45649659958148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.64777944286299 variable y0 equal ${yi} variable y0 equal 2.8657853600631 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.66067210634184 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 2.84075683328011 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 561 -2.9871562 -1.2528973 -1.2490862 562 -2.9871562 -1.2528973 -1.2550377 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.25503765055882 variable naccept equal ${increment} variable naccept equal 201 next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.49241850216161 variable y0 equal ${yi} variable y0 equal 3.62302048964632 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.53355492193471 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.57107198996675 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 562 -2.9871562 -1.2550377 -1.2550377 563 -2.9871562 -1.2550377 -1.2016104 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 55 x ${x0} set atom 55 x 7.49241850216161 1 settings made for x set atom $i y ${y0} set atom 55 y ${y0} set atom 55 y 3.62302048964632 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 0.0538676500320435 variable y0 equal ${yi} variable y0 equal 1.89676245830125 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x 0.095151686668396 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.81934415481156 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 563 -2.9871562 -1.2550377 -1.2016104 564 -2.9871562 -1.2550377 -1.2469243 Loop time of 8.01086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 21 x ${x0} set atom 21 x 0.0538676500320435 1 settings made for x set atom $i y ${y0} set atom 21 y ${y0} set atom 21 y 1.89676245830125 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.75239680647192 variable y0 equal ${yi} variable y0 equal 8.22711012281474 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.7991147720748 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.1301974765211 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 564 -2.9871562 -1.2550377 -1.2469243 565 -2.9871562 -1.2550377 -0.96349111 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.75239680647192 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.22711012281474 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 98 variable x0 equal ${xi} variable x0 equal 9.16308992821724 variable y0 equal ${yi} variable y0 equal 8.28462620891627 set atom $i x ${xnew} set atom 98 x ${xnew} set atom 98 x 9.12704094368965 1 settings made for x set atom $i y ${ynew} set atom 98 y ${ynew} set atom 98 y 8.33986731685694 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 565 -2.9871562 -1.2550377 -0.96349111 566 -2.9871562 -1.2550377 -1.2499595 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 98 x ${x0} set atom 98 x 9.16308992821724 1 settings made for x set atom $i y ${y0} set atom 98 y ${y0} set atom 98 y 8.28462620891627 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.2262481812498 variable y0 equal ${yi} variable y0 equal 2.83032892915109 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.1877183679602 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.75864233943323 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 566 -2.9871562 -1.2550377 -1.2499595 567 -2.9871562 -1.2550377 -1.2548292 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.2262481812498 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.83032892915109 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.9486086213523 variable y0 equal ${yi} variable y0 equal 6.50839406982889 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.87151443599998 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.51532517210474 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 567 -2.9871562 -1.2550377 -1.2548292 568 -2.9871562 -1.2550377 -1.2376372 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.9486086213523 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.50839406982889 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.54351456640837 variable y0 equal ${yi} variable y0 equal 3.68936000628603 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.57312260149595 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.59592626853121 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 568 -2.9871562 -1.2550377 -1.2376372 569 -2.9871562 -1.2550377 -1.2397305 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 59 x ${x0} set atom 59 x 9.54351456640837 1 settings made for x set atom $i y ${y0} set atom 59 y ${y0} set atom 59 y 3.68936000628603 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.89360781310894 variable y0 equal ${yi} variable y0 equal 0.970815511453479 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.85064032672741 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 0.992341895807117 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 569 -2.9871562 -1.2550377 -1.2397305 570 -2.9871562 -1.2550377 -1.2408238 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.89360781310894 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.970815511453479 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.74200649777537 variable y0 equal ${yi} variable y0 equal 8.32967373050746 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.81409508505946 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.41906071819362 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 570 -2.9871562 -1.2550377 -1.2408238 571 -2.9871562 -1.2550377 -1.2626915 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.26269149152748 variable naccept equal ${increment} variable naccept equal 202 next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.49241850216161 variable y0 equal ${yi} variable y0 equal 3.62302048964632 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.55629055340062 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.57657450003756 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 571 -2.9871562 -1.2626915 -1.2626915 572 -2.9871562 -1.2626915 -1.1697816 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 55 x ${x0} set atom 55 x 7.49241850216161 1 settings made for x set atom $i y ${y0} set atom 55 y ${y0} set atom 55 y 3.62302048964632 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.636496813693905 variable y0 equal ${yi} variable y0 equal 2.67731568786004 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.668525441089535 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.65698702308038 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 572 -2.9871562 -1.2626915 -1.1697816 573 -2.9871562 -1.2626915 -1.2342241 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.636496813693905 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.67731568786004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 86 variable x0 equal ${xi} variable x0 equal 2.8117458124919 variable y0 equal ${yi} variable y0 equal 8.46798524774608 set atom $i x ${xnew} set atom 86 x ${xnew} set atom 86 x 2.80131718118621 1 settings made for x set atom $i y ${ynew} set atom 86 y ${ynew} set atom 86 y 8.54258154548702 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 573 -2.9871562 -1.2626915 -1.2342241 574 -2.9871562 -1.2626915 -1.1819906 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 86 x ${x0} set atom 86 x 2.8117458124919 1 settings made for x set atom $i y ${y0} set atom 86 y ${y0} set atom 86 y 8.46798524774608 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.6895772715373 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.71277494782373 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 574 -2.9871562 -1.2626915 -1.1819906 575 -2.9871562 -1.2626915 -1.2464354 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.83226965864134 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.6243641650097 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 575 -2.9871562 -1.2626915 -1.2464354 576 -2.9871562 -1.2626915 -1.2348488 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 87 variable x0 equal ${xi} variable x0 equal 3.19670169114628 variable y0 equal ${yi} variable y0 equal 7.45894124832415 set atom $i x ${xnew} set atom 87 x ${xnew} set atom 87 x 3.25831706285038 1 settings made for x set atom $i y ${ynew} set atom 87 y ${ynew} set atom 87 y 7.46091093149447 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 576 -2.9871562 -1.2626915 -1.2348488 577 -2.9871562 -1.2626915 -1.2605495 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 87 x ${x0} set atom 87 x 3.19670169114628 1 settings made for x set atom $i y ${y0} set atom 87 y ${y0} set atom 87 y 7.45894124832415 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.25292225837269 variable y0 equal ${yi} variable y0 equal 3.7410068945421 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.24420675992527 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.73567457957399 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 577 -2.9871562 -1.2626915 -1.2605495 578 -2.9871562 -1.2626915 -1.2654105 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.2654105168996 variable naccept equal ${increment} variable naccept equal 203 next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.7421086748295 variable y0 equal ${yi} variable y0 equal 0.0381360530853272 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.6441186865025 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y -0.0446481108665466 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 578 -2.9871562 -1.2654105 -1.2654105 579 -2.9871562 -1.2654105 -1.329935 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.32993497581692 variable naccept equal ${increment} variable naccept equal 204 next iter jump SELF loop variable i equal ${irandom} variable i equal 93 variable x0 equal ${xi} variable x0 equal 6.38658518313486 variable y0 equal ${yi} variable y0 equal 7.46601674881243 set atom $i x ${xnew} set atom 93 x ${xnew} set atom 93 x 6.39550770043451 1 settings made for x set atom $i y ${ynew} set atom 93 y ${ynew} set atom 93 y 7.38732918825411 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 579 -2.9871562 -1.329935 -1.329935 580 -2.9871562 -1.329935 -1.2619596 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 93 x ${x0} set atom 93 x 6.38658518313486 1 settings made for x set atom $i y ${y0} set atom 93 y ${y0} set atom 93 y 7.46601674881243 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.50696252742235 variable y0 equal ${yi} variable y0 equal 5.69319788162904 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.43240578332369 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.72700328772264 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 580 -2.9871562 -1.329935 -1.2619596 581 -2.9871562 -1.329935 -1.2729951 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.50696252742235 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.69319788162904 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.419449497847 variable y0 equal ${yi} variable y0 equal 3.62166059775483 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.49239535489503 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.71645880503785 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 581 -2.9871562 -1.329935 -1.2729951 582 -2.9871562 -1.329935 -1.3581576 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.35815762308786 variable naccept equal ${increment} variable naccept equal 205 next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.1610254410764 variable y0 equal ${yi} variable y0 equal 8.2609955064207 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.1694799665471 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.22209194816646 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 582 -2.9871562 -1.3581576 -1.3581576 583 -2.9871562 -1.3581576 -1.3477163 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 100 x ${x0} set atom 100 x 10.1610254410764 1 settings made for x set atom $i y ${y0} set atom 100 y ${y0} set atom 100 y 8.2609955064207 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 81 variable x0 equal ${xi} variable x0 equal 0.0322040319442937 variable y0 equal ${yi} variable y0 equal 7.38692112293505 set atom $i x ${xnew} set atom 81 x ${xnew} set atom 81 x 0.0298782348633 1 settings made for x set atom $i y ${ynew} set atom 81 y ${ynew} set atom 81 y 7.42559107866549 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 583 -2.9871562 -1.3581576 -1.3477163 584 -2.9871562 -1.3581576 -1.3522015 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 81 x ${x0} set atom 81 x 0.0322040319442937 1 settings made for x set atom $i y ${y0} set atom 81 y ${y0} set atom 81 y 7.38692112293505 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.15834543148385 variable y0 equal ${yi} variable y0 equal 1.95142827413148 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.13842718044625 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.85985663316316 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 584 -2.9871562 -1.3581576 -1.3522015 585 -2.9871562 -1.3581576 -1.3558187 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.15834543148385 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.95142827413148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.30100279251004 variable y0 equal ${yi} variable y0 equal 7.47468527879977 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.24745409885312 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.41848703947329 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 585 -2.9871562 -1.3581576 -1.3558187 586 -2.9871562 -1.3581576 -1.2531733 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.30100279251004 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.47468527879977 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 1.93844582477913 variable y0 equal ${yi} variable y0 equal 9.28443172681659 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 1.99748616854057 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y 9.28337218273013 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 586 -2.9871562 -1.3581576 -1.2531733 587 -2.9871562 -1.3581576 -1.3795275 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.37952748168855 variable naccept equal ${increment} variable naccept equal 206 next iter jump SELF loop variable i equal ${irandom} variable i equal 73 variable x0 equal ${xi} variable x0 equal 6.42834627150613 variable y0 equal ${yi} variable y0 equal 5.4691439980765 set atom $i x ${xnew} set atom 73 x ${xnew} set atom 73 x 6.52578634738046 1 settings made for x set atom $i y ${ynew} set atom 73 y ${ynew} set atom 73 y 5.47681858484942 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 587 -2.9871562 -1.3795275 -1.3795275 588 -2.9871562 -1.3795275 -1.3430632 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 73 x ${x0} set atom 73 x 6.42834627150613 1 settings made for x set atom $i y ${y0} set atom 73 y ${y0} set atom 73 y 5.4691439980765 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.37933925469132 variable y0 equal ${yi} variable y0 equal 5.58286277001101 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.37270225365372 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.5350309247275 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 588 -2.9871562 -1.3795275 -1.3430632 589 -2.9871562 -1.3795275 -1.3805006 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.38050057431537 variable naccept equal ${increment} variable naccept equal 207 next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.83482123255073 variable y0 equal ${yi} variable y0 equal 2.90886334153512 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 4.8951647126609 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.85868977280953 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 589 -2.9871562 -1.3805006 -1.3805006 590 -2.9871562 -1.3805006 -1.3816553 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.38165527696185 variable naccept equal ${increment} variable naccept equal 208 next iter jump SELF loop variable i equal ${irandom} variable i equal 75 variable x0 equal ${xi} variable x0 equal 7.43141517479192 variable y0 equal ${yi} variable y0 equal 5.56478210632998 set atom $i x ${xnew} set atom 75 x ${xnew} set atom 75 x 7.40136385996114 1 settings made for x set atom $i y ${ynew} set atom 75 y ${ynew} set atom 75 y 5.62311518137652 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 590 -2.9871562 -1.3816553 -1.3816553 591 -2.9871562 -1.3816553 -1.3625154 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 75 x ${x0} set atom 75 x 7.43141517479192 1 settings made for x set atom $i y ${y0} set atom 75 y ${y0} set atom 75 y 5.56478210632998 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.44271840571481 variable y0 equal ${yi} variable y0 equal 3.64753458066117 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.50014636038858 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.73485736413132 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 591 -2.9871562 -1.3816553 -1.3625154 592 -2.9871562 -1.3816553 -1.3831312 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.38313121598977 variable naccept equal ${increment} variable naccept equal 209 next iter jump SELF loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.3012590146021 variable y0 equal ${yi} variable y0 equal 5.54728171770769 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.39509936332265 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.57799570505815 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 592 -2.9871562 -1.3831312 -1.3831312 593 -2.9871562 -1.3831312 -1.3723506 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 67 x ${x0} set atom 67 x 3.3012590146021 1 settings made for x set atom $i y ${y0} set atom 67 y ${y0} set atom 67 y 5.54728171770769 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.34202759662534 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y -0.0192600131034876 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 593 -2.9871562 -1.3831312 -1.3723506 594 -2.9871562 -1.3831312 -1.3807315 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.31983832835275 variable y0 equal ${yi} variable y0 equal 9.28122769105762 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.36090334176141 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y 9.36127550113529 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 594 -2.9871562 -1.3831312 -1.3807315 595 -2.9871562 -1.3831312 -1.36366 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.31983832835275 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 9.28122769105762 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 7.0883078245227 variable y0 equal ${yi} variable y0 equal 8.34910107769069 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 7.18029399195358 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.40897090353069 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 595 -2.9871562 -1.3831312 -1.36366 596 -2.9871562 -1.3831312 -1.3483502 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 7.0883078245227 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.34910107769069 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 1.99748616854057 variable y0 equal ${yi} variable y0 equal 9.28337218273013 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 2.01127850452766 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y 9.27465030658572 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 596 -2.9871562 -1.3831312 -1.3483502 597 -2.9871562 -1.3831312 -1.3850537 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.38505367883356 variable naccept equal ${increment} variable naccept equal 210 next iter jump SELF loop variable i equal ${irandom} variable i equal 23 variable x0 equal ${xi} variable x0 equal 1.15155310948544 variable y0 equal ${yi} variable y0 equal 1.8275491871602 set atom $i x ${xnew} set atom 23 x ${xnew} set atom 23 x 1.23193701823407 1 settings made for x set atom $i y ${ynew} set atom 23 y ${ynew} set atom 23 y 1.89866228482789 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 597 -2.9871562 -1.3850537 -1.3850537 598 -2.9871562 -1.3850537 -1.3473948 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 23 x ${x0} set atom 23 x 1.15155310948544 1 settings made for x set atom $i y ${y0} set atom 23 y ${y0} set atom 23 y 1.8275491871602 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.95588066298515 variable y0 equal ${yi} variable y0 equal 0.958170147645798 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 8.91207848507911 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 1.00596296380791 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 598 -2.9871562 -1.3850537 -1.3473948 599 -2.9871562 -1.3850537 -1.3326117 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 8.95588066298515 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.958170147645798 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.1799755902961 variable y0 equal ${yi} variable y0 equal 6.56346605555049 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 9.23172874171288 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.56647083298198 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 599 -2.9871562 -1.3850537 -1.3326117 600 -2.9871562 -1.3850537 -1.3674685 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 78 x ${x0} set atom 78 x 9.1799755902961 1 settings made for x set atom $i y ${y0} set atom 78 y ${y0} set atom 78 y 6.56346605555049 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.05527156868621 variable y0 equal ${yi} variable y0 equal 4.53311400765344 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 6.96265421190902 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.54610840433999 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 600 -2.9871562 -1.3850537 -1.3674685 601 -2.9871562 -1.3850537 -1.3314972 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.05527156868621 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.53311400765344 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.49239535489503 variable y0 equal ${yi} variable y0 equal 3.71645880503785 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.4058857814354 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.74886415763032 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 601 -2.9871562 -1.3850537 -1.3314972 602 -2.9871562 -1.3850537 -1.3256792 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.49239535489503 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.71645880503785 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.31064851680662 variable y0 equal ${yi} variable y0 equal 1.91864991567201 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.29727901616957 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.88125138661928 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 602 -2.9871562 -1.3850537 -1.3256792 603 -2.9871562 -1.3850537 -1.3764088 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 31 x ${x0} set atom 31 x 5.31064851680662 1 settings made for x set atom $i y ${y0} set atom 31 y ${y0} set atom 31 y 1.91864991567201 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.6441186865025 variable y0 equal ${yi} variable y0 equal -0.0446481108665466 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.6847808917218 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 0.0503261208534241 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 603 -2.9871562 -1.3850537 -1.3764088 604 -2.9871562 -1.3850537 -1.3057418 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 1 x ${x0} set atom 1 x 10.6441186865025 1 settings made for x set atom $i y ${y0} set atom 1 y ${y0} set atom 1 y -0.0446481108665466 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.49239535489503 variable y0 equal ${yi} variable y0 equal 3.71645880503785 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.58295833030168 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.68115541501176 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 604 -2.9871562 -1.3850537 -1.3057418 605 -2.9871562 -1.3850537 -1.3784599 Loop time of 8.58307e-05 on 1 procs for 1 steps with 100 atoms 1165.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.49239535489503 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.71645880503785 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.80888134757167 variable y0 equal ${yi} variable y0 equal 2.87047326537469 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.81428678551799 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.78096287223199 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 605 -2.9871562 -1.3850537 -1.3784599 606 -2.9871562 -1.3850537 -1.3839863 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.80888134757167 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.87047326537469 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.95588066298515 variable y0 equal ${yi} variable y0 equal 0.958170147645798 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 9.04897592980415 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 0.963812907445755 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 606 -2.9871562 -1.3850537 -1.3839863 607 -2.9871562 -1.3850537 -1.3757286 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 8.95588066298515 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.958170147645798 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.19226642608205 variable y0 equal ${yi} variable y0 equal 1.99900682351654 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.19158099650899 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 2.0968829073674 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 607 -2.9871562 -1.3850537 -1.3757286 608 -2.9871562 -1.3850537 -1.329932 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 27 x ${x0} set atom 27 x 3.19226642608205 1 settings made for x set atom $i y ${y0} set atom 27 y ${y0} set atom 27 y 1.99900682351654 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.609000296989348 variable y0 equal ${yi} variable y0 equal 0.984621043908919 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.661875839630034 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.953116424787367 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 608 -2.9871562 -1.3850537 -1.329932 609 -2.9871562 -1.3850537 -1.374074 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.609000296989348 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.984621043908919 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.6697051664157 variable y0 equal ${yi} variable y0 equal 0.985170360315169 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.74688103397323 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 1.00073587487968 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 609 -2.9871562 -1.3850537 -1.374074 610 -2.9871562 -1.3850537 -1.3687956 Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms 2383.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 6 x ${x0} set atom 6 x 2.6697051664157 1 settings made for x set atom $i y ${y0} set atom 6 y ${y0} set atom 6 y 0.985170360315169 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.50014636038858 variable y0 equal ${yi} variable y0 equal 3.73485736413132 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.44109354733545 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.77544760270249 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 610 -2.9871562 -1.3850537 -1.3687956 611 -2.9871562 -1.3850537 -1.291347 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 53 x ${x0} set atom 53 x 6.50014636038858 1 settings made for x set atom $i y ${y0} set atom 53 y ${y0} set atom 53 y 3.73485736413132 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.79853938141947 variable y0 equal ${yi} variable y0 equal 4.56348908299372 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.7123203686822 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.54204444044993 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 611 -2.9871562 -1.3850537 -1.291347 612 -2.9871562 -1.3850537 -1.3520084 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.79853938141947 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.56348908299372 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.62032703041811 variable y0 equal ${yi} variable y0 equal 0.920044656503527 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.63596331953783 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 1.00232377837929 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 612 -2.9871562 -1.3850537 -1.3520084 613 -2.9871562 -1.3850537 -1.3682658 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.62032703041811 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.920044656503527 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.6441186865025 variable y0 equal ${yi} variable y0 equal 9.26140048015445 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.6749607046299 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 9.28974660146564 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 613 -2.9871562 -1.3850537 -1.3682658 614 -2.9871562 -1.3850537 -1.3705218 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 1 x ${x0} set atom 1 x 10.6441186865025 1 settings made for x set atom $i y ${y0} set atom 1 y ${y0} set atom 1 y 9.26140048015445 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.16361460129128 variable y0 equal ${yi} variable y0 equal 3.71165227456224 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.20289023558007 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.77375853819978 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 614 -2.9871562 -1.3850537 -1.3705218 615 -2.9871562 -1.3850537 -1.3811222 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.16361460129128 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.71165227456224 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.14132251460106 variable y0 equal ${yi} variable y0 equal 4.91687022799417 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.12524742800743 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 5.00506101006433 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 615 -2.9871562 -1.3850537 -1.3811222 616 -2.9871562 -1.3850537 -1.3105706 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 58 x ${x0} set atom 58 x 9.14132251460106 1 settings made for x set atom $i y ${y0} set atom 58 y ${y0} set atom 58 y 4.91687022799417 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 82 variable x0 equal ${xi} variable x0 equal 0.467086871066953 variable y0 equal ${yi} variable y0 equal 8.28344582237299 set atom $i x ${xnew} set atom 82 x ${xnew} set atom 82 x 0.495169158378507 1 settings made for x set atom $i y ${ynew} set atom 82 y ${ynew} set atom 82 y 8.19806424297388 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 616 -2.9871562 -1.3850537 -1.3105706 617 -2.9871562 -1.3850537 -1.3414633 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 82 x ${x0} set atom 82 x 0.467086871066953 1 settings made for x set atom $i y ${y0} set atom 82 y ${y0} set atom 82 y 8.28344582237299 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 79 variable x0 equal ${xi} variable x0 equal 9.71175088165876 variable y0 equal ${yi} variable y0 equal 5.71374509279924 set atom $i x ${xnew} set atom 79 x ${xnew} set atom 79 x 9.65862675188657 1 settings made for x set atom $i y ${ynew} set atom 79 y ${ynew} set atom 79 y 5.65731769745546 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 617 -2.9871562 -1.3850537 -1.3414633 618 -2.9871562 -1.3850537 -1.3676177 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 79 x ${x0} set atom 79 x 9.71175088165876 1 settings made for x set atom $i y ${y0} set atom 79 y ${y0} set atom 79 y 5.71374509279924 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.9486086213523 variable y0 equal ${yi} variable y0 equal 6.50839406982889 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.93977924227057 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.55731870666971 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 618 -2.9871562 -1.3850537 -1.3676177 619 -2.9871562 -1.3850537 -1.3562614 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.9486086213523 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.50839406982889 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.62032703041811 variable y0 equal ${yi} variable y0 equal 0.920044656503527 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.61625435232897 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.9234049756411 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 619 -2.9871562 -1.3850537 -1.3562614 620 -2.9871562 -1.3850537 -1.3843346 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.62032703041811 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.920044656503527 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.62032703041811 variable y0 equal ${yi} variable y0 equal 0.920044656503527 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.69268700957079 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 1.00773170779976 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 620 -2.9871562 -1.3850537 -1.3843346 621 -2.9871562 -1.3850537 -1.3680031 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.62032703041811 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.920044656503527 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.8951647126609 variable y0 equal ${yi} variable y0 equal 2.85868977280953 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 4.80785045265495 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.86851253482201 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 621 -2.9871562 -1.3850537 -1.3680031 622 -2.9871562 -1.3850537 -1.3840955 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 30 x ${x0} set atom 30 x 4.8951647126609 1 settings made for x set atom $i y ${y0} set atom 30 y ${y0} set atom 30 y 2.85868977280953 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 82 variable x0 equal ${xi} variable x0 equal 0.467086871066953 variable y0 equal ${yi} variable y0 equal 8.28344582237299 set atom $i x ${xnew} set atom 82 x ${xnew} set atom 82 x 0.44764589826193 1 settings made for x set atom $i y ${ynew} set atom 82 y ${ynew} set atom 82 y 8.32563534893091 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 622 -2.9871562 -1.3850537 -1.3840955 623 -2.9871562 -1.3850537 -1.3872811 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.38728108349954 variable naccept equal ${increment} variable naccept equal 211 next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 6.03489085395328 variable y0 equal ${yi} variable y0 equal 4.55223173254892 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 5.9899615760564 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.5907792245762 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 623 -2.9871562 -1.3872811 -1.3872811 624 -2.9871562 -1.3872811 -1.4127818 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.41278180893224 variable naccept equal ${increment} variable naccept equal 212 next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.8951647126609 variable y0 equal ${yi} variable y0 equal 2.85868977280953 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 4.99147927402794 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.85271881791451 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 624 -2.9871562 -1.4127818 -1.4127818 625 -2.9871562 -1.4127818 -1.343882 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 30 x ${x0} set atom 30 x 4.8951647126609 1 settings made for x set atom $i y ${y0} set atom 30 y ${y0} set atom 30 y 2.85868977280953 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.95588066298515 variable y0 equal ${yi} variable y0 equal 0.958170147645798 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 9.00074370820076 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 0.970562859285202 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 625 -2.9871562 -1.4127818 -1.343882 626 -2.9871562 -1.4127818 -1.4088029 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 8.95588066298515 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.958170147645798 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.65137007117053 variable y0 equal ${yi} variable y0 equal 4.58490908497735 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.65167639136096 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.64821097010537 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 626 -2.9871562 -1.4127818 -1.4088029 627 -2.9871562 -1.4127818 -1.4171293 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.41712932007563 variable naccept equal ${increment} variable naccept equal 213 next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.54351456640837 variable y0 equal ${yi} variable y0 equal 3.68936000628603 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.52418797491667 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.67949695153368 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 627 -2.9871562 -1.4171293 -1.4171293 628 -2.9871562 -1.4171293 -1.4158179 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 59 x ${x0} set atom 59 x 9.54351456640837 1 settings made for x set atom $i y ${y0} set atom 59 y ${y0} set atom 59 y 3.68936000628603 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.50696252742235 variable y0 equal ${yi} variable y0 equal 5.69319788162904 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.50189744391863 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.62625844423967 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 628 -2.9871562 -1.4171293 -1.4158179 629 -2.9871562 -1.4171293 -1.4175466 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.41754664501398 variable naccept equal ${increment} variable naccept equal 214 next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.83310471732608 variable y0 equal ${yi} variable y0 equal 8.3484317771345 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.76399728019229 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.28182130970057 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 629 -2.9871562 -1.4175466 -1.4175466 630 -2.9871562 -1.4175466 -1.3724141 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.83310471732608 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.3484317771345 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 50 variable x0 equal ${xi} variable x0 equal 4.95269535421668 variable y0 equal ${yi} variable y0 equal 4.50253551358148 set atom $i x ${xnew} set atom 50 x ${xnew} set atom 50 x 4.93783021807014 1 settings made for x set atom $i y ${ynew} set atom 50 y ${ynew} set atom 50 y 4.47542828673288 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 630 -2.9871562 -1.4175466 -1.3724141 631 -2.9871562 -1.4175466 -1.3978291 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 50 x ${x0} set atom 50 x 4.95269535421668 1 settings made for x set atom $i y ${y0} set atom 50 y ${y0} set atom 50 y 4.50253551358148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.90086858232013 variable y0 equal ${yi} variable y0 equal 2.85332814427712 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.92728100974551 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.81102399798729 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 631 -2.9871562 -1.4175466 -1.3978291 632 -2.9871562 -1.4175466 -1.390464 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 32 x ${x0} set atom 32 x 5.90086858232013 1 settings made for x set atom $i y ${y0} set atom 32 y ${y0} set atom 32 y 2.85332814427712 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 35 variable x0 equal ${xi} variable x0 equal 7.39499159891379 variable y0 equal ${yi} variable y0 equal 1.92000625512666 set atom $i x ${xnew} set atom 35 x ${xnew} set atom 35 x 7.31234352428687 1 settings made for x set atom $i y ${ynew} set atom 35 y ${ynew} set atom 35 y 1.89091948649949 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 632 -2.9871562 -1.4175466 -1.390464 633 -2.9871562 -1.4175466 -1.4261792 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.42617915925012 variable naccept equal ${increment} variable naccept equal 215 next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.43885856071379 variable y0 equal ${yi} variable y0 equal 5.558475553443 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.48234918514158 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.5516745681067 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 633 -2.9871562 -1.4261792 -1.4261792 634 -2.9871562 -1.4261792 -1.409773 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.43885856071379 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.558475553443 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.6441186865025 variable y0 equal ${yi} variable y0 equal 9.26140048015445 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.648263963049 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 9.2079006861481 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 634 -2.9871562 -1.4261792 -1.409773 635 -2.9871562 -1.4261792 -1.435484 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.4354839986223 variable naccept equal ${increment} variable naccept equal 216 next iter jump SELF loop variable i equal ${irandom} variable i equal 17 variable x0 equal ${xi} variable x0 equal 8.55511315026705 variable y0 equal ${yi} variable y0 equal 9.1494782041344 set atom $i x ${xnew} set atom 17 x ${xnew} set atom 17 x 8.61520300069277 1 settings made for x set atom $i y ${ynew} set atom 17 y ${ynew} set atom 17 y 9.09114980209201 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 635 -2.9871562 -1.435484 -1.435484 636 -2.9871562 -1.435484 -1.3869192 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 17 x ${x0} set atom 17 x 8.55511315026705 1 settings made for x set atom $i y ${y0} set atom 17 y ${y0} set atom 17 y 9.1494782041344 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.18878640571939 variable y0 equal ${yi} variable y0 equal 5.5354710811873 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.24505562225687 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.45345857088762 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 636 -2.9871562 -1.435484 -1.3869192 637 -2.9871562 -1.435484 -1.3820555 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.18878640571939 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.5354710811873 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.89360781310894 variable y0 equal ${yi} variable y0 equal 0.970815511453479 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.83856721519329 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 1.05606873821053 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 637 -2.9871562 -1.435484 -1.3820555 638 -2.9871562 -1.435484 -1.4041169 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.89360781310894 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.970815511453479 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 10 variable x0 equal ${xi} variable x0 equal 4.86377175688087 variable y0 equal ${yi} variable y0 equal 0.979123874414294 set atom $i x ${xnew} set atom 10 x ${xnew} set atom 10 x 4.93898677467643 1 settings made for x set atom $i y ${ynew} set atom 10 y ${ynew} set atom 10 y 0.922879894483416 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 638 -2.9871562 -1.435484 -1.4041169 639 -2.9871562 -1.435484 -1.4047063 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 10 x ${x0} set atom 10 x 4.86377175688087 1 settings made for x set atom $i y ${y0} set atom 10 y ${y0} set atom 10 y 0.979123874414294 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 73 variable x0 equal ${xi} variable x0 equal 6.42834627150613 variable y0 equal ${yi} variable y0 equal 5.4691439980765 set atom $i x ${xnew} set atom 73 x ${xnew} set atom 73 x 6.37511158703881 1 settings made for x set atom $i y ${ynew} set atom 73 y ${ynew} set atom 73 y 5.55292977040011 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 639 -2.9871562 -1.435484 -1.4047063 640 -2.9871562 -1.435484 -1.4270103 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 73 x ${x0} set atom 73 x 6.42834627150613 1 settings made for x set atom $i y ${y0} set atom 73 y ${y0} set atom 73 y 5.4691439980765 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.48253180264112 variable y0 equal ${yi} variable y0 equal 1.83061694285935 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.44324071882841 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.81839132688111 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 640 -2.9871562 -1.435484 -1.4270103 641 -2.9871562 -1.435484 -1.4081823 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 39 x ${x0} set atom 39 x 9.48253180264112 1 settings made for x set atom $i y ${y0} set atom 39 y ${y0} set atom 39 y 1.83061694285935 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 49 variable x0 equal ${xi} variable x0 equal 4.29856565077515 variable y0 equal ${yi} variable y0 equal 3.75675644440782 set atom $i x ${xnew} set atom 49 x ${xnew} set atom 49 x 4.23712824661942 1 settings made for x set atom $i y ${ynew} set atom 49 y ${ynew} set atom 49 y 3.7975365237726 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 641 -2.9871562 -1.435484 -1.4081823 642 -2.9871562 -1.435484 -1.3559627 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 49 x ${x0} set atom 49 x 4.29856565077515 1 settings made for x set atom $i y ${y0} set atom 49 y ${y0} set atom 49 y 3.75675644440782 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.44501340229284 variable y0 equal ${yi} variable y0 equal 0.0728780150413514 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.42581077654135 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y 0.00200206041336068 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 642 -2.9871562 -1.435484 -1.3559627 643 -2.9871562 -1.435484 -1.4378058 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.43780579475459 variable naccept equal ${increment} variable naccept equal 217 next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 10.6194513638668 variable y0 equal ${yi} variable y0 equal 5.51495547239976 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 10.6798384984188 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.47642980759339 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 643 -2.9871562 -1.4378058 -1.4378058 644 -2.9871562 -1.4378058 -1.4836523 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.48365228837593 variable naccept equal ${increment} variable naccept equal 218 next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.16361460129128 variable y0 equal ${yi} variable y0 equal 3.71165227456224 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.19388546387063 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.77270575328004 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 644 -2.9871562 -1.4836523 -1.4836523 645 -2.9871562 -1.4836523 -1.4861225 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.48612248111829 variable naccept equal ${increment} variable naccept equal 219 next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.95588066298515 variable y0 equal ${yi} variable y0 equal 0.958170147645798 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 8.86414540726692 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 1.04625742028984 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 645 -2.9871562 -1.4861225 -1.4861225 646 -2.9871562 -1.4861225 -1.2962603 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 8.95588066298515 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.958170147645798 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.80888134757167 variable y0 equal ${yi} variable y0 equal 2.87047326537469 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.871384983455 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.95588707896569 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 646 -2.9871562 -1.4861225 -1.2962603 647 -2.9871562 -1.4861225 -1.4163758 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.80888134757167 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.87047326537469 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.14132251460106 variable y0 equal ${yi} variable y0 equal 4.91687022799417 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.22162594515831 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.96126422041818 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 647 -2.9871562 -1.4861225 -1.4163758 648 -2.9871562 -1.4861225 -1.4222101 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 58 x ${x0} set atom 58 x 9.14132251460106 1 settings made for x set atom $i y ${y0} set atom 58 y ${y0} set atom 58 y 4.91687022799417 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 38 variable x0 equal ${xi} variable x0 equal 9.13396360594779 variable y0 equal ${yi} variable y0 equal 2.69964367123941 set atom $i x ${xnew} set atom 38 x ${xnew} set atom 38 x 9.18394357878715 1 settings made for x set atom $i y ${ynew} set atom 38 y ${ynew} set atom 38 y 2.67225230904916 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 648 -2.9871562 -1.4861225 -1.4222101 649 -2.9871562 -1.4861225 -1.4345983 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 38 x ${x0} set atom 38 x 9.13396360594779 1 settings made for x set atom $i y ${y0} set atom 38 y ${y0} set atom 38 y 2.69964367123941 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.43885856071379 variable y0 equal ${yi} variable y0 equal 5.558475553443 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.34778758684065 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.48445597832398 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 649 -2.9871562 -1.4861225 -1.4345983 650 -2.9871562 -1.4861225 -1.4784945 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.43885856071379 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.558475553443 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.609000296989348 variable y0 equal ${yi} variable y0 equal 0.984621043908919 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.599176199832823 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 1.06154056381019 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 650 -2.9871562 -1.4861225 -1.4784945 651 -2.9871562 -1.4861225 -1.4548009 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.609000296989348 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.984621043908919 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.6697051664157 variable y0 equal ${yi} variable y0 equal 0.985170360315169 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.73118131359054 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 0.95709611963066 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 651 -2.9871562 -1.4861225 -1.4548009 652 -2.9871562 -1.4861225 -1.4757477 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 6 x ${x0} set atom 6 x 2.6697051664157 1 settings made for x set atom $i y ${y0} set atom 6 y ${y0} set atom 6 y 0.985170360315169 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 49 variable x0 equal ${xi} variable x0 equal 4.29856565077515 variable y0 equal ${yi} variable y0 equal 3.75675644440782 set atom $i x ${xnew} set atom 49 x ${xnew} set atom 49 x 4.29979468662949 1 settings made for x set atom $i y ${ynew} set atom 49 y ${ynew} set atom 49 y 3.68506254716051 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 652 -2.9871562 -1.4861225 -1.4757477 653 -2.9871562 -1.4861225 -1.4910279 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.49102789094257 variable naccept equal ${increment} variable naccept equal 220 next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.89360781310894 variable y0 equal ${yi} variable y0 equal 0.970815511453479 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.84936464427807 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 0.952607961404651 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 653 -2.9871562 -1.4910279 -1.4910279 654 -2.9871562 -1.4910279 -1.4806387 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.89360781310894 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.970815511453479 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.81409508505946 variable y0 equal ${yi} variable y0 equal 8.41906071819362 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.90877110282069 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.49039127744731 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 654 -2.9871562 -1.4910279 -1.4806387 655 -2.9871562 -1.4910279 -1.3776989 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.81409508505946 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.41906071819362 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.35305790105726 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y -0.06727149486542 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 655 -2.9871562 -1.4910279 -1.3776989 656 -2.9871562 -1.4910279 -1.4837914 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 41 variable x0 equal ${xi} variable x0 equal 10.736381598299 variable y0 equal ${yi} variable y0 equal 3.75094525380266 set atom $i x ${xnew} set atom 41 x ${xnew} set atom 41 x 10.8196943839245 1 settings made for x set atom $i y ${ynew} set atom 41 y ${ynew} set atom 41 y 3.67012049718035 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 656 -2.9871562 -1.4910279 -1.4837914 657 -2.9871562 -1.4910279 -1.4915712 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.49157124334998 variable naccept equal ${increment} variable naccept equal 221 next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.70111999392291 variable y0 equal ${yi} variable y0 equal 6.45056509510509 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.75976018786212 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.53850911394588 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 657 -2.9871562 -1.4915712 -1.4915712 658 -2.9871562 -1.4915712 -1.4818599 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.70111999392291 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.45056509510509 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.4949854779112 variable y0 equal ${yi} variable y0 equal 0.0935324668884274 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.45617995737669 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.122891819477081 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 658 -2.9871562 -1.4915712 -1.4818599 659 -2.9871562 -1.4915712 -1.4624209 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.4949854779112 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.0935324668884274 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 99 variable x0 equal ${xi} variable x0 equal 9.79539506910918 variable y0 equal ${yi} variable y0 equal 7.31491797294879 set atom $i x ${xnew} set atom 99 x ${xnew} set atom 99 x 9.84648401020644 1 settings made for x set atom $i y ${ynew} set atom 99 y ${ynew} set atom 99 y 7.3616387518909 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 659 -2.9871562 -1.4915712 -1.4624209 660 -2.9871562 -1.4915712 -1.4576597 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 99 x ${x0} set atom 99 x 9.79539506910918 1 settings made for x set atom $i y ${y0} set atom 99 y ${y0} set atom 99 y 7.31491797294879 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.66067210634184 variable y0 equal ${yi} variable y0 equal 2.84075683328011 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.73504253824186 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 2.92310613366463 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 660 -2.9871562 -1.4915712 -1.4576597 661 -2.9871562 -1.4915712 -1.4755451 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 26 x ${x0} set atom 26 x 2.66067210634184 1 settings made for x set atom $i y ${y0} set atom 26 y ${y0} set atom 26 y 2.84075683328011 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.18484719752828 variable y0 equal ${yi} variable y0 equal 0.0215112447738743 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.27643877028982 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y 0.075750613212595 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 661 -2.9871562 -1.4915712 -1.4755451 662 -2.9871562 -1.4915712 -1.520318 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.52031803392727 variable naccept equal ${increment} variable naccept equal 222 next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.58777606367846 variable y0 equal ${yi} variable y0 equal 2.84301091405252 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.66249351382037 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.75859200927118 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 662 -2.9871562 -1.520318 -1.520318 663 -2.9871562 -1.520318 -1.5047297 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 24 x ${x0} set atom 24 x 1.58777606367846 1 settings made for x set atom $i y ${y0} set atom 24 y ${y0} set atom 24 y 2.84301091405252 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 82 variable x0 equal ${xi} variable x0 equal 0.44764589826193 variable y0 equal ${yi} variable y0 equal 8.32563534893091 set atom $i x ${xnew} set atom 82 x ${xnew} set atom 82 x 0.365077515045072 1 settings made for x set atom $i y ${ynew} set atom 82 y ${ynew} set atom 82 y 8.28618894733484 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 663 -2.9871562 -1.520318 -1.5047297 664 -2.9871562 -1.520318 -1.477278 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 82 x ${x0} set atom 82 x 0.44764589826193 1 settings made for x set atom $i y ${y0} set atom 82 y ${y0} set atom 82 y 8.32563534893091 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.0944710194955 variable y0 equal ${yi} variable y0 equal 4.65609761828349 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.18000540136196 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.56114988678859 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 664 -2.9871562 -1.520318 -1.477278 665 -2.9871562 -1.520318 -1.4498987 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 56 x ${x0} set atom 56 x 8.0944710194955 1 settings made for x set atom $i y ${y0} set atom 56 y ${y0} set atom 56 y 4.65609761828349 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.50014636038858 variable y0 equal ${yi} variable y0 equal 3.73485736413132 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.49823891638834 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.73309955163132 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 665 -2.9871562 -1.520318 -1.4498987 666 -2.9871562 -1.520318 -1.5211728 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.52117283696309 variable naccept equal ${increment} variable naccept equal 223 next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.95588066298515 variable y0 equal ${yi} variable y0 equal 0.958170147645798 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 8.93586747366935 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 0.897689135778275 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 666 -2.9871562 -1.5211728 -1.5211728 667 -2.9871562 -1.5211728 -1.5292357 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.52923573959139 variable naccept equal ${increment} variable naccept equal 224 next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.37270225365372 variable y0 equal ${yi} variable y0 equal 5.5350309247275 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.38908102591248 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.51644262020785 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 667 -2.9871562 -1.5292357 -1.5292357 668 -2.9871562 -1.5292357 -1.5285944 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.52859437392368 variable naccept equal ${increment} variable naccept equal 225 next iter jump SELF loop variable i equal ${irandom} variable i equal 41 variable x0 equal ${xi} variable x0 equal 10.8196943839245 variable y0 equal ${yi} variable y0 equal 3.67012049718035 set atom $i x ${xnew} set atom 41 x ${xnew} set atom 41 x 10.8444620211773 1 settings made for x set atom $i y ${ynew} set atom 41 y ${ynew} set atom 41 y 3.6413920835985 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 668 -2.9871562 -1.5285944 -1.5285944 669 -2.9871562 -1.5285944 -1.5190388 Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 41 x ${x0} set atom 41 x 10.8196943839245 1 settings made for x set atom $i y ${y0} set atom 41 y ${y0} set atom 41 y 3.67012049718035 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.11236243842937 variable y0 equal ${yi} variable y0 equal 8.24853718198832 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.20931401847698 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.32984374679621 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 669 -2.9871562 -1.5285944 -1.5190388 670 -2.9871562 -1.5285944 -1.4393888 Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.11236243842937 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.24853718198832 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.648263963049 variable y0 equal ${yi} variable y0 equal 9.2079006861481 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.6936472852879 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 9.25655743587344 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 670 -2.9871562 -1.5285944 -1.4393888 671 -2.9871562 -1.5285944 -1.5137636 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 1 x ${x0} set atom 1 x 10.648263963049 1 settings made for x set atom $i y ${y0} set atom 1 y ${y0} set atom 1 y 9.2079006861481 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.90086858232013 variable y0 equal ${yi} variable y0 equal 2.85332814427712 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.92757778127185 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.76324702473977 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 671 -2.9871562 -1.5285944 -1.5137636 672 -2.9871562 -1.5285944 -1.4285746 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 32 x ${x0} set atom 32 x 5.90086858232013 1 settings made for x set atom $i y ${y0} set atom 32 y ${y0} set atom 32 y 2.85332814427712 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.83310471732608 variable y0 equal ${yi} variable y0 equal 8.3484317771345 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.7367061491727 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.37417242445048 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 672 -2.9871562 -1.5285944 -1.4285746 673 -2.9871562 -1.5285944 -1.511837 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.83310471732608 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.3484317771345 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.9486086213523 variable y0 equal ${yi} variable y0 equal 6.50839406982889 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 5.03511389135657 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.4296056939744 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 673 -2.9871562 -1.5285944 -1.511837 674 -2.9871562 -1.5285944 -1.4998424 Loop time of 4.31538e-05 on 1 procs for 1 steps with 100 atoms 2317.3% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.9486086213523 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.50839406982889 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.1148146752378 variable y0 equal ${yi} variable y0 equal 4.54698911065027 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.0182748798391 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.47931827658579 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 674 -2.9871562 -1.5285944 -1.4998424 675 -2.9871562 -1.5285944 -1.4679747 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 60 x ${x0} set atom 60 x 10.1148146752378 1 settings made for x set atom $i y ${y0} set atom 60 y ${y0} set atom 60 y 4.54698911065027 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 49 variable x0 equal ${xi} variable x0 equal 4.29979468662949 variable y0 equal ${yi} variable y0 equal 3.68506254716051 set atom $i x ${xnew} set atom 49 x ${xnew} set atom 49 x 4.36545280297013 1 settings made for x set atom $i y ${ynew} set atom 49 y ${ynew} set atom 49 y 3.76343255801332 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 675 -2.9871562 -1.5285944 -1.4679747 676 -2.9871562 -1.5285944 -1.5234285 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 49 x ${x0} set atom 49 x 4.29979468662949 1 settings made for x set atom $i y ${y0} set atom 49 y ${y0} set atom 49 y 3.68506254716051 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.3580195311566 variable y0 equal ${yi} variable y0 equal 0.876792534101337 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.3420591358204 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.919908591020435 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 676 -2.9871562 -1.5285944 -1.5234285 677 -2.9871562 -1.5285944 -1.5361048 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.53610478960888 variable naccept equal ${increment} variable naccept equal 226 next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.3420591358204 variable y0 equal ${yi} variable y0 equal 0.919908591020435 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.302839982893 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.902523060548633 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 677 -2.9871562 -1.5361048 -1.5361048 678 -2.9871562 -1.5361048 -1.5428288 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.5428288223352 variable naccept equal ${increment} variable naccept equal 227 next iter jump SELF loop variable i equal ${irandom} variable i equal 62 variable x0 equal ${xi} variable x0 equal 0.670342476764585 variable y0 equal ${yi} variable y0 equal 6.59568084017267 set atom $i x ${xnew} set atom 62 x ${xnew} set atom 62 x 0.603585369983579 1 settings made for x set atom $i y ${ynew} set atom 62 y ${ynew} set atom 62 y 6.69126078621378 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 678 -2.9871562 -1.5428288 -1.5428288 679 -2.9871562 -1.5428288 -1.44476 Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms 2383.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 62 x ${x0} set atom 62 x 0.670342476764585 1 settings made for x set atom $i y ${y0} set atom 62 y ${y0} set atom 62 y 6.59568084017267 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 49 variable x0 equal ${xi} variable x0 equal 4.29979468662949 variable y0 equal ${yi} variable y0 equal 3.68506254716051 set atom $i x ${xnew} set atom 49 x ${xnew} set atom 49 x 4.21123738367768 1 settings made for x set atom $i y ${ynew} set atom 49 y ${ynew} set atom 49 y 3.73444240851534 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 679 -2.9871562 -1.5428288 -1.44476 680 -2.9871562 -1.5428288 -1.4912699 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 49 x ${x0} set atom 49 x 4.29979468662949 1 settings made for x set atom $i y ${y0} set atom 49 y ${y0} set atom 49 y 3.68506254716051 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.21652406850721 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y 0.0204649209976171 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 680 -2.9871562 -1.5428288 -1.4912699 681 -2.9871562 -1.5428288 -1.4870226 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.80888134757167 variable y0 equal ${yi} variable y0 equal 2.87047326537469 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.818137829696 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.87919037314752 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 681 -2.9871562 -1.5428288 -1.4870226 682 -2.9871562 -1.5428288 -1.5347825 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.80888134757167 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.87047326537469 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.2262481812498 variable y0 equal ${yi} variable y0 equal 2.83032892915109 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.2974783424398 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.82333054515222 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 682 -2.9871562 -1.5428288 -1.5347825 683 -2.9871562 -1.5428288 -1.5336564 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.2262481812498 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.83032892915109 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.89360781310894 variable y0 equal ${yi} variable y0 equal 0.970815511453479 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.84625568984844 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 0.990762694585651 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 683 -2.9871562 -1.5428288 -1.5336564 684 -2.9871562 -1.5428288 -1.5286969 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.89360781310894 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.970815511453479 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.81409508505946 variable y0 equal ${yi} variable y0 equal 8.41906071819362 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.82981962481623 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.51831295408305 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 684 -2.9871562 -1.5428288 -1.5286969 685 -2.9871562 -1.5428288 -1.5092865 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.81409508505946 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.41906071819362 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.302839982893 variable y0 equal ${yi} variable y0 equal 0.902523060548633 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.334790361311 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.97467588971886 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 685 -2.9871562 -1.5428288 -1.5092865 686 -2.9871562 -1.5428288 -1.5353222 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 20 x ${x0} set atom 20 x 10.302839982893 1 settings made for x set atom $i y ${y0} set atom 20 y ${y0} set atom 20 y 0.902523060548633 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 0.0538676500320435 variable y0 equal ${yi} variable y0 equal 1.89676245830125 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x 0.109127748012543 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.90195738456315 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 686 -2.9871562 -1.5428288 -1.5353222 687 -2.9871562 -1.5428288 -1.5180551 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 21 x ${x0} set atom 21 x 0.0538676500320435 1 settings made for x set atom $i y ${y0} set atom 21 y ${y0} set atom 21 y 1.89676245830125 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.80639883795863 variable y0 equal ${yi} variable y0 equal 6.64886432425013 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.85495240012294 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.60158496633997 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 687 -2.9871562 -1.5428288 -1.5180551 688 -2.9871562 -1.5428288 -1.5638068 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.56380679488604 variable naccept equal ${increment} variable naccept equal 228 next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.58777606367846 variable y0 equal ${yi} variable y0 equal 2.84301091405252 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.66311051726122 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.84872870417932 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 688 -2.9871562 -1.5638068 -1.5638068 689 -2.9871562 -1.5638068 -1.5723919 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.57239188275382 variable naccept equal ${increment} variable naccept equal 229 next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.97641189375564 variable y0 equal ${yi} variable y0 equal 2.79607654782632 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 6.96819095888778 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.85498608323434 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 689 -2.9871562 -1.5723919 -1.5723919 690 -2.9871562 -1.5723919 -1.5794222 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.57942219358855 variable naccept equal ${increment} variable naccept equal 230 next iter jump SELF loop variable i equal ${irandom} variable i equal 93 variable x0 equal ${xi} variable x0 equal 6.38658518313486 variable y0 equal ${yi} variable y0 equal 7.46601674881243 set atom $i x ${xnew} set atom 93 x ${xnew} set atom 93 x 6.38228197812159 1 settings made for x set atom $i y ${ynew} set atom 93 y ${ynew} set atom 93 y 7.37301745739245 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 690 -2.9871562 -1.5794222 -1.5794222 691 -2.9871562 -1.5794222 -1.4711197 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 93 x ${x0} set atom 93 x 6.38658518313486 1 settings made for x set atom $i y ${y0} set atom 93 y ${y0} set atom 93 y 7.46601674881243 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 10.6798384984188 variable y0 equal ${yi} variable y0 equal 5.47642980759339 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 10.6911063273601 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.45732250158982 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 691 -2.9871562 -1.5794222 -1.4711197 692 -2.9871562 -1.5794222 -1.5795996 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.57959963399638 variable naccept equal ${increment} variable naccept equal 231 next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.62032703041811 variable y0 equal ${yi} variable y0 equal 0.920044656503527 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.62696895479937 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.956307740915148 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 692 -2.9871562 -1.5795996 -1.5795996 693 -2.9871562 -1.5795996 -1.5762743 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.62032703041811 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.920044656503527 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 82 variable x0 equal ${xi} variable x0 equal 0.44764589826193 variable y0 equal ${yi} variable y0 equal 8.32563534893091 set atom $i x ${xnew} set atom 82 x ${xnew} set atom 82 x 0.476495249668027 1 settings made for x set atom $i y ${ynew} set atom 82 y ${ynew} set atom 82 y 8.23766961015756 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 693 -2.9871562 -1.5795996 -1.5762743 694 -2.9871562 -1.5795996 -1.5647187 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2436.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 82 x ${x0} set atom 82 x 0.44764589826193 1 settings made for x set atom $i y ${y0} set atom 82 y ${y0} set atom 82 y 8.32563534893091 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 12 variable x0 equal ${xi} variable x0 equal 5.89277292449466 variable y0 equal ${yi} variable y0 equal 0.861734314668505 set atom $i x ${xnew} set atom 12 x ${xnew} set atom 12 x 5.81250222880832 1 settings made for x set atom $i y ${ynew} set atom 12 y ${ynew} set atom 12 y 0.959874435174792 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 694 -2.9871562 -1.5795996 -1.5647187 695 -2.9871562 -1.5795996 -1.5798955 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.57989552020751 variable naccept equal ${increment} variable naccept equal 232 next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.50331240732442 variable y0 equal ${yi} variable y0 equal 7.44483136263156 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.49781333048116 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.4375419887569 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 695 -2.9871562 -1.5798955 -1.5798955 696 -2.9871562 -1.5798955 -1.5767902 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 95 x ${x0} set atom 95 x 7.50331240732442 1 settings made for x set atom $i y ${y0} set atom 95 y ${y0} set atom 95 y 7.44483136263156 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.89360781310894 variable y0 equal ${yi} variable y0 equal 0.970815511453479 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.9541184008012 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 1.00244937728676 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 696 -2.9871562 -1.5798955 -1.5767902 697 -2.9871562 -1.5798955 -1.5617974 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.89360781310894 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.970815511453479 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.0944710194955 variable y0 equal ${yi} variable y0 equal 4.65609761828349 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.06611787675716 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.67376009577678 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 697 -2.9871562 -1.5798955 -1.5617974 698 -2.9871562 -1.5798955 -1.5799326 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.57993262563053 variable naccept equal ${increment} variable naccept equal 233 next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.11236243842937 variable y0 equal ${yi} variable y0 equal 8.24853718198832 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.19340493081905 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.21717744983729 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 698 -2.9871562 -1.5799326 -1.5799326 699 -2.9871562 -1.5799326 -1.5348958 Loop time of 4.22001e-05 on 1 procs for 1 steps with 100 atoms 2369.7% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.11236243842937 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.24853718198832 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.49239535489503 variable y0 equal ${yi} variable y0 equal 3.71645880503785 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.4657503382248 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.71776780648362 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 699 -2.9871562 -1.5799326 -1.5348958 700 -2.9871562 -1.5799326 -1.572602 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.49239535489503 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.71645880503785 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 41 variable x0 equal ${xi} variable x0 equal 0.0739950656890791 variable y0 equal ${yi} variable y0 equal 3.67012049718035 set atom $i x ${xnew} set atom 41 x ${xnew} set atom 41 x -0.0225914359092791 1 settings made for x set atom $i y ${ynew} set atom 41 y ${ynew} set atom 41 y 3.57947902245653 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 700 -2.9871562 -1.5799326 -1.572602 701 -2.9871562 -1.5799326 -1.5289998 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 41 x ${x0} set atom 41 x 0.0739950656890791 1 settings made for x set atom $i y ${y0} set atom 41 y ${y0} set atom 41 y 3.67012049718035 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.49241850216161 variable y0 equal ${yi} variable y0 equal 3.62302048964632 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.51275517780553 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.68194531960619 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 701 -2.9871562 -1.5799326 -1.5289998 702 -2.9871562 -1.5799326 -1.5949064 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.59490640873723 variable naccept equal ${increment} variable naccept equal 234 next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.4157506708166 variable y0 equal ${yi} variable y0 equal 6.43439372316829 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.4132836226484 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.48601012960902 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 702 -2.9871562 -1.5949064 -1.5949064 703 -2.9871562 -1.5949064 -1.5889618 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.4157506708166 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.43439372316829 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.42581077654135 variable y0 equal ${yi} variable y0 equal 0.00200206041336068 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.34387720663321 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y 0.0551467657089234 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 703 -2.9871562 -1.5949064 -1.5889618 704 -2.9871562 -1.5949064 -1.5900979 Loop time of 4.22001e-05 on 1 procs for 1 steps with 100 atoms 2369.7% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.42581077654135 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.00200206041336068 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.50235789218808 variable y0 equal ${yi} variable y0 equal 3.73372400565278 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.50713398853207 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.75840978188645 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 704 -2.9871562 -1.5949064 -1.5900979 705 -2.9871562 -1.5949064 -1.5801183 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 51 x ${x0} set atom 51 x 5.50235789218808 1 settings made for x set atom $i y ${y0} set atom 51 y ${y0} set atom 51 y 3.73372400565278 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.81409508505946 variable y0 equal ${yi} variable y0 equal 8.41906071819362 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.72313428441172 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.50924178279933 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 705 -2.9871562 -1.5949064 -1.5801183 706 -2.9871562 -1.5949064 -1.5436291 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.81409508505946 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.41906071819362 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.12744101880885 variable y0 equal ${yi} variable y0 equal 6.56631985441675 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 8.20870062707759 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.57427093521585 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 706 -2.9871562 -1.5949064 -1.5436291 707 -2.9871562 -1.5949064 -1.5646234 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 76 x ${x0} set atom 76 x 8.12744101880885 1 settings made for x set atom $i y ${y0} set atom 76 y ${y0} set atom 76 y 6.56631985441675 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.50189744391863 variable y0 equal ${yi} variable y0 equal 5.62625844423967 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.55546174207155 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.67337435429292 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 707 -2.9871562 -1.5949064 -1.5646234 708 -2.9871562 -1.5949064 -1.5952118 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.59521182279004 variable naccept equal ${increment} variable naccept equal 235 next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.50235789218808 variable y0 equal ${yi} variable y0 equal 3.73372400565278 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.51281969943906 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.68009410662782 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 708 -2.9871562 -1.5952118 -1.5952118 709 -2.9871562 -1.5952118 -1.5808686 Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms 2383.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 51 x ${x0} set atom 51 x 5.50235789218808 1 settings made for x set atom $i y ${y0} set atom 51 y ${y0} set atom 51 y 3.73372400565278 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.1610254410764 variable y0 equal ${yi} variable y0 equal 8.2609955064207 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.1810870651265 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.19933904327449 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 709 -2.9871562 -1.5952118 -1.5808686 710 -2.9871562 -1.5952118 -1.5762137 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 100 x ${x0} set atom 100 x 10.1610254410764 1 settings made for x set atom $i y ${y0} set atom 100 y ${y0} set atom 100 y 8.2609955064207 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.38908102591248 variable y0 equal ${yi} variable y0 equal 5.51644262020785 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.52732812111575 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 710 -2.9871562 -1.5952118 -1.5762137 711 -2.9871562 -1.5952118 -1.595765 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.59576499617591 variable naccept equal ${increment} variable naccept equal 236 next iter jump SELF loop variable i equal ${irandom} variable i equal 74 variable x0 equal ${xi} variable x0 equal 7.1464075712268 variable y0 equal ${yi} variable y0 equal 6.56554357544413 set atom $i x ${xnew} set atom 74 x ${xnew} set atom 74 x 7.23013606348678 1 settings made for x set atom $i y ${ynew} set atom 74 y ${ynew} set atom 74 y 6.51990543142786 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 711 -2.9871562 -1.595765 -1.595765 712 -2.9871562 -1.595765 -1.5235668 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 74 x ${x0} set atom 74 x 7.1464075712268 1 settings made for x set atom $i y ${y0} set atom 74 y ${y0} set atom 74 y 6.56554357544413 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.14655829985791 variable y0 equal ${yi} variable y0 equal 7.47608772840762 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.15936544259244 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.53503431406283 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 712 -2.9871562 -1.595765 -1.5235668 713 -2.9871562 -1.595765 -1.5829051 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.14655829985791 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.47608772840762 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.81409508505946 variable y0 equal ${yi} variable y0 equal 8.41906071819362 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.86775627652293 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.37060685075816 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 713 -2.9871562 -1.595765 -1.5829051 714 -2.9871562 -1.595765 -1.5503215 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.81409508505946 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.41906071819362 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 93 variable x0 equal ${xi} variable x0 equal 6.38658518313486 variable y0 equal ${yi} variable y0 equal 7.46601674881243 set atom $i x ${xnew} set atom 93 x ${xnew} set atom 93 x 6.37491369961817 1 settings made for x set atom $i y ${ynew} set atom 93 y ${ynew} set atom 93 y 7.49044490185045 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 714 -2.9871562 -1.595765 -1.5503215 715 -2.9871562 -1.595765 -1.5997881 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.59978807468615 variable naccept equal ${increment} variable naccept equal 237 next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.15771750847207 variable y0 equal ${yi} variable y0 equal 7.45649659958148 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.24897256533013 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.53692699995303 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 715 -2.9871562 -1.5997881 -1.5997881 716 -2.9871562 -1.5997881 -1.5789076 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.15771750847207 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.45649659958148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.01127850452766 variable y0 equal ${yi} variable y0 equal 9.27465030658572 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 1.92375337520942 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y 9.19612406003802 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 716 -2.9871562 -1.5997881 -1.5789076 717 -2.9871562 -1.5997881 -1.4824054 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 2.01127850452766 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 9.27465030658572 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.55546174207155 variable y0 equal ${yi} variable y0 equal 5.67337435429292 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.55568831124727 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.65434912388521 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 717 -2.9871562 -1.5997881 -1.4824054 718 -2.9871562 -1.5997881 -1.5950012 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.55546174207155 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.67337435429292 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.79853938141947 variable y0 equal ${yi} variable y0 equal 4.56348908299372 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.79677430907374 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.52313697689936 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 718 -2.9871562 -1.5997881 -1.5950012 719 -2.9871562 -1.5997881 -1.5785608 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.79853938141947 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.56348908299372 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 62 variable x0 equal ${xi} variable x0 equal 0.670342476764585 variable y0 equal ${yi} variable y0 equal 6.59568084017267 set atom $i x ${xnew} set atom 62 x ${xnew} set atom 62 x 0.636793156066801 1 settings made for x set atom $i y ${ynew} set atom 62 y ${ynew} set atom 62 y 6.69270237223139 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 719 -2.9871562 -1.5997881 -1.5785608 720 -2.9871562 -1.5997881 -1.5227031 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 62 x ${x0} set atom 62 x 0.670342476764585 1 settings made for x set atom $i y ${y0} set atom 62 y ${y0} set atom 62 y 6.59568084017267 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 3 variable x0 equal ${xi} variable x0 equal 0.926390245754054 variable y0 equal ${yi} variable y0 equal 9.23904097783893 set atom $i x ${xnew} set atom 3 x ${xnew} set atom 3 x 0.931894794303706 1 settings made for x set atom $i y ${ynew} set atom 3 y ${ynew} set atom 3 y 9.18481475818485 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 720 -2.9871562 -1.5997881 -1.5227031 721 -2.9871562 -1.5997881 -1.589362 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 3 x ${x0} set atom 3 x 0.926390245754054 1 settings made for x set atom $i y ${y0} set atom 3 y ${y0} set atom 3 y 9.23904097783893 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.35225354511948 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.46941865627963 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 721 -2.9871562 -1.5997881 -1.589362 722 -2.9871562 -1.5997881 -1.5967048 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.15834543148385 variable y0 equal ${yi} variable y0 equal 1.95142827413148 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.07551352421151 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.92978098771638 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 722 -2.9871562 -1.5997881 -1.5967048 723 -2.9871562 -1.5997881 -1.5696155 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.15834543148385 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.95142827413148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.70111999392291 variable y0 equal ${yi} variable y0 equal 6.45056509510509 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.64984414458056 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.45684722200862 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 723 -2.9871562 -1.5997881 -1.5696155 724 -2.9871562 -1.5997881 -1.5938164 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.70111999392291 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.45056509510509 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.8845204738681 variable y0 equal ${yi} variable y0 equal 1.04688491414817 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.87697189131424 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 1.08924629281791 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 724 -2.9871562 -1.5997881 -1.5938164 725 -2.9871562 -1.5997881 -1.5698286 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.8845204738681 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 1.04688491414817 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.39214122374269 variable y0 equal ${yi} variable y0 equal 7.32321853962206 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.37566744168016 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.37287323799395 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 725 -2.9871562 -1.5997881 -1.5698286 726 -2.9871562 -1.5997881 -1.6309361 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.63093606699069 variable naccept equal ${increment} variable naccept equal 238 next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.96819095888778 variable y0 equal ${yi} variable y0 equal 2.85498608323434 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 6.87445746937438 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.88949005576471 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 726 -2.9871562 -1.6309361 -1.6309361 727 -2.9871562 -1.6309361 -1.5887142 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.96819095888778 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.85498608323434 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.648263963049 variable y0 equal ${yi} variable y0 equal 9.2079006861481 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.6932178576642 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 9.1674089978966 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 727 -2.9871562 -1.6309361 -1.5887142 728 -2.9871562 -1.6309361 -1.6081572 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 1 x ${x0} set atom 1 x 10.648263963049 1 settings made for x set atom $i y ${y0} set atom 1 y ${y0} set atom 1 y 9.2079006861481 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 42 variable x0 equal ${xi} variable x0 equal 0.452082355419064 variable y0 equal ${yi} variable y0 equal 4.6216128265278 set atom $i x ${xnew} set atom 42 x ${xnew} set atom 42 x 0.352174837985897 1 settings made for x set atom $i y ${ynew} set atom 42 y ${ynew} set atom 42 y 4.58545073622629 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 728 -2.9871562 -1.6309361 -1.6081572 729 -2.9871562 -1.6309361 -1.5894197 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 42 x ${x0} set atom 42 x 0.452082355419064 1 settings made for x set atom $i y ${y0} set atom 42 y ${y0} set atom 42 y 4.6216128265278 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.90086858232013 variable y0 equal ${yi} variable y0 equal 2.85332814427712 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.93153694827548 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.93547909232476 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 729 -2.9871562 -1.6309361 -1.5894197 730 -2.9871562 -1.6309361 -1.5918897 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 32 x ${x0} set atom 32 x 5.90086858232013 1 settings made for x set atom $i y ${y0} set atom 32 y ${y0} set atom 32 y 2.85332814427712 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 99 variable x0 equal ${xi} variable x0 equal 9.79539506910918 variable y0 equal ${yi} variable y0 equal 7.31491797294879 set atom $i x ${xnew} set atom 99 x ${xnew} set atom 99 x 9.87459151028273 1 settings made for x set atom $i y ${ynew} set atom 99 y ${ynew} set atom 99 y 7.35500833120608 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 730 -2.9871562 -1.6309361 -1.5918897 731 -2.9871562 -1.6309361 -1.5662481 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 99 x ${x0} set atom 99 x 9.79539506910918 1 settings made for x set atom $i y ${y0} set atom 99 y ${y0} set atom 99 y 7.31491797294879 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.8951647126609 variable y0 equal ${yi} variable y0 equal 2.85868977280953 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 4.97432236313163 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.95785394879677 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 731 -2.9871562 -1.6309361 -1.5662481 732 -2.9871562 -1.6309361 -1.5594316 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 30 x ${x0} set atom 30 x 4.8951647126609 1 settings made for x set atom $i y ${y0} set atom 30 y ${y0} set atom 30 y 2.85868977280953 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.30100279251004 variable y0 equal ${yi} variable y0 equal 7.47468527879977 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.27791930833722 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.41208495226168 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 732 -2.9871562 -1.6309361 -1.5594316 733 -2.9871562 -1.6309361 -1.6109916 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.30100279251004 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.47468527879977 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.66067210634184 variable y0 equal ${yi} variable y0 equal 2.84075683328011 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.60243755777311 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 2.88605238171914 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 733 -2.9871562 -1.6309361 -1.6109916 734 -2.9871562 -1.6309361 -1.6019794 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 26 x ${x0} set atom 26 x 2.66067210634184 1 settings made for x set atom $i y ${y0} set atom 26 y ${y0} set atom 26 y 2.84075683328011 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.05527156868621 variable y0 equal ${yi} variable y0 equal 4.53311400765344 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 6.95808832922622 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.50529096478387 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 734 -2.9871562 -1.6309361 -1.6019794 735 -2.9871562 -1.6309361 -1.5682676 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.05527156868621 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.53311400765344 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.70111999392291 variable y0 equal ${yi} variable y0 equal 6.45056509510509 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.79266776919146 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.5215831352853 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 735 -2.9871562 -1.6309361 -1.5682676 736 -2.9871562 -1.6309361 -1.6140282 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.70111999392291 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.45056509510509 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.51275517780553 variable y0 equal ${yi} variable y0 equal 3.68194531960619 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.46207572061788 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.77484983964098 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 736 -2.9871562 -1.6309361 -1.6140282 737 -2.9871562 -1.6309361 -1.5014073 Loop time of 8.10623e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 55 x ${x0} set atom 55 x 7.51275517780553 1 settings made for x set atom $i y ${y0} set atom 55 y ${y0} set atom 55 y 3.68194531960619 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.48253180264112 variable y0 equal ${yi} variable y0 equal 1.83061694285935 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.5227473544943 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.87318107268876 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 737 -2.9871562 -1.6309361 -1.5014073 738 -2.9871562 -1.6309361 -1.6208032 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 39 x ${x0} set atom 39 x 9.48253180264112 1 settings made for x set atom $i y ${y0} set atom 39 y ${y0} set atom 39 y 1.83061694285935 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 62 variable x0 equal ${xi} variable x0 equal 0.670342476764585 variable y0 equal ${yi} variable y0 equal 6.59568084017267 set atom $i x ${xnew} set atom 62 x ${xnew} set atom 62 x 0.633673818508054 1 settings made for x set atom $i y ${ynew} set atom 62 y ${ynew} set atom 62 y 6.63929970995416 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 738 -2.9871562 -1.6309361 -1.6208032 739 -2.9871562 -1.6309361 -1.6032552 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 62 x ${x0} set atom 62 x 0.670342476764585 1 settings made for x set atom $i y ${y0} set atom 62 y ${y0} set atom 62 y 6.59568084017267 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.70111999392291 variable y0 equal ${yi} variable y0 equal 6.45056509510509 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.64127092242022 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.40492994324199 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 739 -2.9871562 -1.6309361 -1.6032552 740 -2.9871562 -1.6309361 -1.6196612 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.70111999392291 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.45056509510509 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.3012590146021 variable y0 equal ${yi} variable y0 equal 5.54728171770769 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.24710569142858 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.61021871512132 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 740 -2.9871562 -1.6309361 -1.6196612 741 -2.9871562 -1.6309361 -1.6231284 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 67 x ${x0} set atom 67 x 3.3012590146021 1 settings made for x set atom $i y ${y0} set atom 67 y ${y0} set atom 67 y 5.54728171770769 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.37566744168016 variable y0 equal ${yi} variable y0 equal 7.37287323799395 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.36479252655717 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.37975311603808 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 741 -2.9871562 -1.6309361 -1.6231284 742 -2.9871562 -1.6309361 -1.6384165 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.63841648317525 variable naccept equal ${increment} variable naccept equal 239 next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 0.0538676500320435 variable y0 equal ${yi} variable y0 equal 1.89676245830125 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x 0.00301411151885991 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.98519864461488 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 742 -2.9871562 -1.6384165 -1.6384165 743 -2.9871562 -1.6384165 -1.6092129 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 21 x ${x0} set atom 21 x 0.0538676500320435 1 settings made for x set atom $i y ${y0} set atom 21 y ${y0} set atom 21 y 1.89676245830125 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.48253180264112 variable y0 equal ${yi} variable y0 equal 1.83061694285935 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.49739758251783 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.84610255143708 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 743 -2.9871562 -1.6384165 -1.6092129 744 -2.9871562 -1.6384165 -1.6365705 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 39 x ${x0} set atom 39 x 9.48253180264112 1 settings made for x set atom $i y ${y0} set atom 39 y ${y0} set atom 39 y 1.83061694285935 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.06611787675716 variable y0 equal ${yi} variable y0 equal 4.67376009577678 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.08665764926769 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.64979454630779 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 744 -2.9871562 -1.6384165 -1.6365705 745 -2.9871562 -1.6384165 -1.6370073 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 56 x ${x0} set atom 56 x 8.06611787675716 1 settings made for x set atom $i y ${y0} set atom 56 y ${y0} set atom 56 y 4.67376009577678 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.24420675992527 variable y0 equal ${yi} variable y0 equal 3.73567457957399 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.30047476052799 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.8175493435396 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 745 -2.9871562 -1.6384165 -1.6370073 746 -2.9871562 -1.6384165 -1.5649235 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.24420675992527 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.73567457957399 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.65167639136096 variable y0 equal ${yi} variable y0 equal 4.64821097010537 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.61125521540423 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.63791933411523 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 746 -2.9871562 -1.6384165 -1.5649235 747 -2.9871562 -1.6384165 -1.6429005 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.6429004823848 variable naccept equal ${increment} variable naccept equal 240 next iter jump SELF loop variable i equal ${irandom} variable i equal 3 variable x0 equal ${xi} variable x0 equal 0.926390245754054 variable y0 equal ${yi} variable y0 equal 9.23904097783893 set atom $i x ${xnew} set atom 3 x ${xnew} set atom 3 x 1.01112441142254 1 settings made for x set atom $i y ${ynew} set atom 3 y ${ynew} set atom 3 y 9.18457223880618 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 747 -2.9871562 -1.6429005 -1.6429005 748 -2.9871562 -1.6429005 -1.6335341 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 3 x ${x0} set atom 3 x 0.926390245754054 1 settings made for x set atom $i y ${y0} set atom 3 y ${y0} set atom 3 y 9.23904097783893 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 37 variable x0 equal ${xi} variable x0 equal 8.49348578610842 variable y0 equal ${yi} variable y0 equal 1.80821938893861 set atom $i x ${xnew} set atom 37 x ${xnew} set atom 37 x 8.4640166060013 1 settings made for x set atom $i y ${ynew} set atom 37 y ${ynew} set atom 37 y 1.83354952714509 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 748 -2.9871562 -1.6429005 -1.6335341 749 -2.9871562 -1.6429005 -1.6350647 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 37 x ${x0} set atom 37 x 8.49348578610842 1 settings made for x set atom $i y ${y0} set atom 37 y ${y0} set atom 37 y 1.80821938893861 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.78488953311874 variable y0 equal ${yi} variable y0 equal 6.49416505829325 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.85556197364761 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.57259013191691 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 749 -2.9871562 -1.6429005 -1.6350647 750 -2.9871562 -1.6429005 -1.6059406 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 66 x ${x0} set atom 66 x 2.78488953311874 1 settings made for x set atom $i y ${y0} set atom 66 y ${y0} set atom 66 y 6.49416505829325 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.648263963049 variable y0 equal ${yi} variable y0 equal 9.2079006861481 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.7310548265629 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 9.11376322019427 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 750 -2.9871562 -1.6429005 -1.6059406 751 -2.9871562 -1.6429005 -1.5573738 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 1 x ${x0} set atom 1 x 10.648263963049 1 settings made for x set atom $i y ${y0} set atom 1 y ${y0} set atom 1 y 9.2079006861481 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 49 variable x0 equal ${xi} variable x0 equal 4.29979468662949 variable y0 equal ${yi} variable y0 equal 3.68506254716051 set atom $i x ${xnew} set atom 49 x ${xnew} set atom 49 x 4.25260524828644 1 settings made for x set atom $i y ${ynew} set atom 49 y ${ynew} set atom 49 y 3.6036994890703 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 751 -2.9871562 -1.6429005 -1.5573738 752 -2.9871562 -1.6429005 -1.5029427 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 49 x ${x0} set atom 49 x 4.29979468662949 1 settings made for x set atom $i y ${y0} set atom 49 y ${y0} set atom 49 y 3.68506254716051 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 38 variable x0 equal ${xi} variable x0 equal 9.13396360594779 variable y0 equal ${yi} variable y0 equal 2.69964367123941 set atom $i x ${xnew} set atom 38 x ${xnew} set atom 38 x 9.17293971497565 1 settings made for x set atom $i y ${ynew} set atom 38 y ${ynew} set atom 38 y 2.77695646258691 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 752 -2.9871562 -1.6429005 -1.5029427 753 -2.9871562 -1.6429005 -1.6546468 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.6546468449581 variable naccept equal ${increment} variable naccept equal 241 next iter jump SELF loop variable i equal ${irandom} variable i equal 41 variable x0 equal ${xi} variable x0 equal 0.0739950656890791 variable y0 equal ${yi} variable y0 equal 3.67012049718035 set atom $i x ${xnew} set atom 41 x ${xnew} set atom 41 x 0.107910585403435 1 settings made for x set atom $i y ${ynew} set atom 41 y ${ynew} set atom 41 y 3.6900085525049 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 753 -2.9871562 -1.6546468 -1.6546468 754 -2.9871562 -1.6546468 -1.634987 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 41 x ${x0} set atom 41 x 0.0739950656890791 1 settings made for x set atom $i y ${y0} set atom 41 y ${y0} set atom 41 y 3.67012049718035 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.50331240732442 variable y0 equal ${yi} variable y0 equal 7.44483136263156 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.52695003587972 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.54054437008166 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 754 -2.9871562 -1.6546468 -1.634987 755 -2.9871562 -1.6546468 -1.5951135 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 95 x ${x0} set atom 95 x 7.50331240732442 1 settings made for x set atom $i y ${y0} set atom 95 y ${y0} set atom 95 y 7.44483136263156 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 7.0883078245227 variable y0 equal ${yi} variable y0 equal 8.34910107769069 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 7.01762646713897 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.4145590535551 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 755 -2.9871562 -1.6546468 -1.5951135 756 -2.9871562 -1.6546468 -1.6640279 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.66402790900867 variable naccept equal ${increment} variable naccept equal 242 next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.83310471732608 variable y0 equal ${yi} variable y0 equal 8.3484317771345 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.75920706946841 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.33910961069163 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 756 -2.9871562 -1.6640279 -1.6640279 757 -2.9871562 -1.6640279 -1.6505606 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.83310471732608 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.3484317771345 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.49239535489503 variable y0 equal ${yi} variable y0 equal 3.71645880503785 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.42614015498582 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.74090543551576 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 757 -2.9871562 -1.6640279 -1.6505606 758 -2.9871562 -1.6640279 -1.6162137 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2436.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.49239535489503 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.71645880503785 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.28535579521867 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.60561752264697 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 758 -2.9871562 -1.6640279 -1.6162137 759 -2.9871562 -1.6640279 -1.6501889 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.636496813693905 variable y0 equal ${yi} variable y0 equal 2.67731568786004 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.545649071136379 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.77431966039041 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 759 -2.9871562 -1.6640279 -1.6501889 760 -2.9871562 -1.6640279 -1.6779591 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.67795914459641 variable naccept equal ${increment} variable naccept equal 243 next iter jump SELF loop variable i equal ${irandom} variable i equal 33 variable x0 equal ${xi} variable x0 equal 6.40621244429666 variable y0 equal ${yi} variable y0 equal 2.0462150373227 set atom $i x ${xnew} set atom 33 x ${xnew} set atom 33 x 6.32293939112741 1 settings made for x set atom $i y ${ynew} set atom 33 y ${ynew} set atom 33 y 2.12733689925736 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 760 -2.9871562 -1.6779591 -1.6779591 761 -2.9871562 -1.6779591 -1.5222415 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 33 x ${x0} set atom 33 x 6.40621244429666 1 settings made for x set atom $i y ${y0} set atom 33 y ${y0} set atom 33 y 2.0462150373227 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.55546174207155 variable y0 equal ${yi} variable y0 equal 5.67337435429292 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.64769586482469 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.74426633064943 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 761 -2.9871562 -1.6779591 -1.5222415 762 -2.9871562 -1.6779591 -1.6547052 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.55546174207155 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.67337435429292 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.2262481812498 variable y0 equal ${yi} variable y0 equal 2.83032892915109 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.2805674914381 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.92251808616021 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 762 -2.9871562 -1.6779591 -1.6547052 763 -2.9871562 -1.6779591 -1.6263292 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.2262481812498 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.83032892915109 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 3 variable x0 equal ${xi} variable x0 equal 0.926390245754054 variable y0 equal ${yi} variable y0 equal 9.23904097783893 set atom $i x ${xnew} set atom 3 x ${xnew} set atom 3 x 0.92786357720547 1 settings made for x set atom $i y ${ynew} set atom 3 y ${ynew} set atom 3 y 9.21328888643115 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 763 -2.9871562 -1.6779591 -1.6263292 764 -2.9871562 -1.6779591 -1.6741133 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 3 x ${x0} set atom 3 x 0.926390245754054 1 settings made for x set atom $i y ${y0} set atom 3 y ${y0} set atom 3 y 9.23904097783893 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 33 variable x0 equal ${xi} variable x0 equal 6.40621244429666 variable y0 equal ${yi} variable y0 equal 2.0462150373227 set atom $i x ${xnew} set atom 33 x ${xnew} set atom 33 x 6.41822359084207 1 settings made for x set atom $i y ${ynew} set atom 33 y ${ynew} set atom 33 y 2.02412909648484 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 764 -2.9871562 -1.6779591 -1.6741133 765 -2.9871562 -1.6779591 -1.6750439 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 33 x ${x0} set atom 33 x 6.40621244429666 1 settings made for x set atom $i y ${y0} set atom 33 y ${y0} set atom 33 y 2.0462150373227 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.2262481812498 variable y0 equal ${yi} variable y0 equal 2.83032892915109 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.1586026314756 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.84872714253763 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 765 -2.9871562 -1.6779591 -1.6750439 766 -2.9871562 -1.6779591 -1.6684633 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.2262481812498 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.83032892915109 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.1148146752378 variable y0 equal ${yi} variable y0 equal 4.54698911065027 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.0152510050794 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.55071063393518 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 766 -2.9871562 -1.6779591 -1.6684633 767 -2.9871562 -1.6779591 -1.6399939 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 60 x ${x0} set atom 60 x 10.1148146752378 1 settings made for x set atom $i y ${y0} set atom 60 y ${y0} set atom 60 y 4.54698911065027 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.81409508505946 variable y0 equal ${yi} variable y0 equal 8.41906071819362 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.82308257142192 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.35280972637233 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 767 -2.9871562 -1.6779591 -1.6399939 768 -2.9871562 -1.6779591 -1.6724705 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.81409508505946 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.41906071819362 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.96819095888778 variable y0 equal ${yi} variable y0 equal 2.85498608323434 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 6.98216452875777 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.84653376313546 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 768 -2.9871562 -1.6779591 -1.6724705 769 -2.9871562 -1.6779591 -1.6758163 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.96819095888778 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.85498608323434 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.54351456640837 variable y0 equal ${yi} variable y0 equal 3.68936000628603 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.46963265417692 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.6760610417856 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 769 -2.9871562 -1.6779591 -1.6758163 770 -2.9871562 -1.6779591 -1.6493614 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 59 x ${x0} set atom 59 x 9.54351456640837 1 settings made for x set atom $i y ${y0} set atom 59 y ${y0} set atom 59 y 3.68936000628603 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.19388546387063 variable y0 equal ${yi} variable y0 equal 3.77270575328004 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.1398472491871 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.79803636832368 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 770 -2.9871562 -1.6779591 -1.6493614 771 -2.9871562 -1.6779591 -1.6739826 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.19388546387063 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.77270575328004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.49239535489503 variable y0 equal ${yi} variable y0 equal 3.71645880503785 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.47172871985856 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.66293279690873 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 771 -2.9871562 -1.6779591 -1.6739826 772 -2.9871562 -1.6779591 -1.6733275 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.49239535489503 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.71645880503785 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.9486086213523 variable y0 equal ${yi} variable y0 equal 6.50839406982889 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.93018145202933 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.59526922241678 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 772 -2.9871562 -1.6779591 -1.6733275 773 -2.9871562 -1.6779591 -1.6382767 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.9486086213523 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.50839406982889 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 35 variable x0 equal ${xi} variable x0 equal 7.31234352428687 variable y0 equal ${yi} variable y0 equal 1.89091948649949 set atom $i x ${xnew} set atom 35 x ${xnew} set atom 35 x 7.33032622177375 1 settings made for x set atom $i y ${ynew} set atom 35 y ${ynew} set atom 35 y 1.90223668000764 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 773 -2.9871562 -1.6779591 -1.6382767 774 -2.9871562 -1.6779591 -1.6889712 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.68897118738555 variable naccept equal ${increment} variable naccept equal 244 next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.27643877028982 variable y0 equal ${yi} variable y0 equal 0.075750613212595 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.30583195447485 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y 0.119071543216715 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 774 -2.9871562 -1.6889712 -1.6889712 775 -2.9871562 -1.6889712 -1.6876309 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 7 x ${x0} set atom 7 x 3.27643877028982 1 settings made for x set atom $i y ${y0} set atom 7 y ${y0} set atom 7 y 0.075750613212595 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 35 variable x0 equal ${xi} variable x0 equal 7.33032622177375 variable y0 equal ${yi} variable y0 equal 1.90223668000764 set atom $i x ${xnew} set atom 35 x ${xnew} set atom 35 x 7.37088978130592 1 settings made for x set atom $i y ${ynew} set atom 35 y ${ynew} set atom 35 y 1.86757599494523 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 775 -2.9871562 -1.6889712 -1.6876309 776 -2.9871562 -1.6889712 -1.7105402 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.71054017255532 variable naccept equal ${increment} variable naccept equal 245 next iter jump SELF loop variable i equal ${irandom} variable i equal 23 variable x0 equal ${xi} variable x0 equal 1.15155310948544 variable y0 equal ${yi} variable y0 equal 1.8275491871602 set atom $i x ${xnew} set atom 23 x ${xnew} set atom 23 x 1.06295477469616 1 settings made for x set atom $i y ${ynew} set atom 23 y ${ynew} set atom 23 y 1.85711895606584 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 776 -2.9871562 -1.7105402 -1.7105402 777 -2.9871562 -1.7105402 -1.7073895 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 23 x ${x0} set atom 23 x 1.15155310948544 1 settings made for x set atom $i y ${y0} set atom 23 y ${y0} set atom 23 y 1.8275491871602 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 9 variable x0 equal ${xi} variable x0 equal 4.31488733370514 variable y0 equal ${yi} variable y0 equal 0.0164698362350535 set atom $i x ${xnew} set atom 9 x ${xnew} set atom 9 x 4.36862380583496 1 settings made for x set atom $i y ${ynew} set atom 9 y ${ynew} set atom 9 y 0.0675842165947032 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 777 -2.9871562 -1.7105402 -1.7073895 778 -2.9871562 -1.7105402 -1.6921826 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 9 x ${x0} set atom 9 x 4.31488733370514 1 settings made for x set atom $i y ${y0} set atom 9 y ${y0} set atom 9 y 0.0164698362350535 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.42581077654135 variable y0 equal ${yi} variable y0 equal 0.00200206041336068 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.49058282215368 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y -0.0580859661102294 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 778 -2.9871562 -1.7105402 -1.6921826 779 -2.9871562 -1.7105402 -1.6998795 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.42581077654135 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.00200206041336068 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.05503968318158 variable y0 equal ${yi} variable y0 equal 3.70494679970873 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 1.15410325844937 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.75003771348131 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 779 -2.9871562 -1.7105402 -1.6998795 780 -2.9871562 -1.7105402 -1.7123251 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.71232510082671 variable naccept equal ${increment} variable naccept equal 246 next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.1610254410764 variable y0 equal ${yi} variable y0 equal 8.2609955064207 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.2077820662519 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.20004818357524 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 780 -2.9871562 -1.7123251 -1.7123251 781 -2.9871562 -1.7123251 -1.6917081 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 100 x ${x0} set atom 100 x 10.1610254410764 1 settings made for x set atom $i y ${y0} set atom 100 y ${y0} set atom 100 y 8.2609955064207 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.05527156868621 variable y0 equal ${yi} variable y0 equal 4.53311400765344 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.02894908466979 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.5368351375477 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 781 -2.9871562 -1.7123251 -1.6917081 782 -2.9871562 -1.7123251 -1.7146375 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.71463748059898 variable naccept equal ${increment} variable naccept equal 247 next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 7.01762646713897 variable y0 equal ${yi} variable y0 equal 8.4145590535551 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 7.01873191872283 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.44720358766612 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 782 -2.9871562 -1.7146375 -1.7146375 783 -2.9871562 -1.7146375 -1.7012399 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 7.01762646713897 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.4145590535551 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.89360781310894 variable y0 equal ${yi} variable y0 equal 0.970815511453479 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.94428206085064 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 0.968377371538013 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 783 -2.9871562 -1.7146375 -1.7012399 784 -2.9871562 -1.7146375 -1.7108684 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.89360781310894 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.970815511453479 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 98 variable x0 equal ${xi} variable x0 equal 9.16308992821724 variable y0 equal ${yi} variable y0 equal 8.28462620891627 set atom $i x ${xnew} set atom 98 x ${xnew} set atom 98 x 9.16885812003166 1 settings made for x set atom $i y ${ynew} set atom 98 y ${ynew} set atom 98 y 8.23131354965266 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 784 -2.9871562 -1.7146375 -1.7108684 785 -2.9871562 -1.7146375 -1.704114 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 98 x ${x0} set atom 98 x 9.16308992821724 1 settings made for x set atom $i y ${y0} set atom 98 y ${y0} set atom 98 y 8.28462620891627 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.4949854779112 variable y0 equal ${yi} variable y0 equal 0.0935324668884274 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.47284794329282 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.0353238224983212 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 785 -2.9871562 -1.7146375 -1.704114 786 -2.9871562 -1.7146375 -1.7045183 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.4949854779112 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.0935324668884274 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.36479252655717 variable y0 equal ${yi} variable y0 equal 7.37975311603808 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.37330011208268 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.46112735595965 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 786 -2.9871562 -1.7146375 -1.7045183 787 -2.9871562 -1.7146375 -1.6132875 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.36479252655717 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.37975311603808 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.49239535489503 variable y0 equal ${yi} variable y0 equal 3.71645880503785 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.50438862004701 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.75084009928834 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 787 -2.9871562 -1.7146375 -1.6132875 788 -2.9871562 -1.7146375 -1.7141844 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.49239535489503 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.71645880503785 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.11236243842937 variable y0 equal ${yi} variable y0 equal 8.24853718198832 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.10908727048732 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.17876176752146 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 788 -2.9871562 -1.7146375 -1.7141844 789 -2.9871562 -1.7146375 -1.6759486 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.11236243842937 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.24853718198832 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.01127850452766 variable y0 equal ${yi} variable y0 equal 9.27465030658572 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 1.95344397465095 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y 9.27187876212924 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 789 -2.9871562 -1.7146375 -1.6759486 790 -2.9871562 -1.7146375 -1.6944996 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 2.01127850452766 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 9.27465030658572 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.6697051664157 variable y0 equal ${yi} variable y0 equal 0.985170360315169 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.62979371746016 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 1.07454545091423 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 790 -2.9871562 -1.7146375 -1.6944996 791 -2.9871562 -1.7146375 -1.7001172 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 6 x ${x0} set atom 6 x 2.6697051664157 1 settings made for x set atom $i y ${y0} set atom 6 y ${y0} set atom 6 y 0.985170360315169 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.65958938796949 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.6520207678692 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 791 -2.9871562 -1.7146375 -1.7001172 792 -2.9871562 -1.7146375 -1.7051613 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.83310471732608 variable y0 equal ${yi} variable y0 equal 8.3484317771345 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.80959312875262 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.4397501698881 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 792 -2.9871562 -1.7146375 -1.7051613 793 -2.9871562 -1.7146375 -1.7049266 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.83310471732608 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.3484317771345 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 74 variable x0 equal ${xi} variable x0 equal 7.1464075712268 variable y0 equal ${yi} variable y0 equal 6.56554357544413 set atom $i x ${xnew} set atom 74 x ${xnew} set atom 74 x 7.13868027010604 1 settings made for x set atom $i y ${ynew} set atom 74 y ${ynew} set atom 74 y 6.65474031702509 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 793 -2.9871562 -1.7146375 -1.7049266 794 -2.9871562 -1.7146375 -1.6217317 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 74 x ${x0} set atom 74 x 7.1464075712268 1 settings made for x set atom $i y ${y0} set atom 74 y ${y0} set atom 74 y 6.56554357544413 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.96819095888778 variable y0 equal ${yi} variable y0 equal 2.85498608323434 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 7.03446907082244 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.790668761457 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 794 -2.9871562 -1.7146375 -1.6217317 795 -2.9871562 -1.7146375 -1.6755906 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.96819095888778 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.85498608323434 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.31983832835275 variable y0 equal ${yi} variable y0 equal 9.28122769105762 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.38742891072351 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y 9.19825496185153 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 795 -2.9871562 -1.7146375 -1.6755906 796 -2.9871562 -1.7146375 -1.7035873 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.31983832835275 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 9.28122769105762 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.51275517780553 variable y0 equal ${yi} variable y0 equal 3.68194531960619 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.49120453436147 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.61259910626543 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 796 -2.9871562 -1.7146375 -1.7035873 797 -2.9871562 -1.7146375 -1.6890186 Loop time of 8.10623e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 55 x ${x0} set atom 55 x 7.51275517780553 1 settings made for x set atom $i y ${y0} set atom 55 y ${y0} set atom 55 y 3.68194531960619 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.2262481812498 variable y0 equal ${yi} variable y0 equal 2.83032892915109 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.1789412740728 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.78276804658273 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 797 -2.9871562 -1.7146375 -1.6890186 798 -2.9871562 -1.7146375 -1.7149487 Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.71494868943985 variable naccept equal ${increment} variable naccept equal 248 next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.64328949609225 variable y0 equal ${yi} variable y0 equal 7.40728055563236 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.61017632642214 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.45248262014652 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 798 -2.9871562 -1.7149487 -1.7149487 799 -2.9871562 -1.7149487 -1.6983414 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 97 x ${x0} set atom 97 x 8.64328949609225 1 settings made for x set atom $i y ${y0} set atom 97 y ${y0} set atom 97 y 7.40728055563236 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.11236243842937 variable y0 equal ${yi} variable y0 equal 8.24853718198832 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.05121116041042 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.23917953886088 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 799 -2.9871562 -1.7149487 -1.6983414 800 -2.9871562 -1.7149487 -1.712876 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.11236243842937 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.24853718198832 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 62 variable x0 equal ${xi} variable x0 equal 0.670342476764585 variable y0 equal ${yi} variable y0 equal 6.59568084017267 set atom $i x ${xnew} set atom 62 x ${xnew} set atom 62 x 0.644441111484434 1 settings made for x set atom $i y ${ynew} set atom 62 y ${ynew} set atom 62 y 6.66990383402338 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 800 -2.9871562 -1.7149487 -1.712876 801 -2.9871562 -1.7149487 -1.6668706 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 62 x ${x0} set atom 62 x 0.670342476764585 1 settings made for x set atom $i y ${y0} set atom 62 y ${y0} set atom 62 y 6.59568084017267 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.19226642608205 variable y0 equal ${yi} variable y0 equal 1.99900682351654 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.12774531602422 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 2.06417869708603 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 801 -2.9871562 -1.7149487 -1.6668706 802 -2.9871562 -1.7149487 -1.6473225 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 27 x ${x0} set atom 27 x 3.19226642608205 1 settings made for x set atom $i y ${y0} set atom 27 y ${y0} set atom 27 y 1.99900682351654 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.64328949609225 variable y0 equal ${yi} variable y0 equal 7.40728055563236 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.6584085718674 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.33811192837024 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 802 -2.9871562 -1.7149487 -1.6473225 803 -2.9871562 -1.7149487 -1.674558 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 97 x ${x0} set atom 97 x 8.64328949609225 1 settings made for x set atom $i y ${y0} set atom 97 y ${y0} set atom 97 y 7.40728055563236 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 62 variable x0 equal ${xi} variable x0 equal 0.670342476764585 variable y0 equal ${yi} variable y0 equal 6.59568084017267 set atom $i x ${xnew} set atom 62 x ${xnew} set atom 62 x 0.640926618972684 1 settings made for x set atom $i y ${ynew} set atom 62 y ${ynew} set atom 62 y 6.62278335825433 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 803 -2.9871562 -1.7149487 -1.674558 804 -2.9871562 -1.7149487 -1.6990439 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 62 x ${x0} set atom 62 x 0.670342476764585 1 settings made for x set atom $i y ${y0} set atom 62 y ${y0} set atom 62 y 6.59568084017267 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 82 variable x0 equal ${xi} variable x0 equal 0.44764589826193 variable y0 equal ${yi} variable y0 equal 8.32563534893091 set atom $i x ${xnew} set atom 82 x ${xnew} set atom 82 x 0.366899044910337 1 settings made for x set atom $i y ${ynew} set atom 82 y ${ynew} set atom 82 y 8.33923450626428 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 804 -2.9871562 -1.7149487 -1.6990439 805 -2.9871562 -1.7149487 -1.6794377 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 82 x ${x0} set atom 82 x 0.44764589826193 1 settings made for x set atom $i y ${y0} set atom 82 y ${y0} set atom 82 y 8.32563534893091 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.81409508505946 variable y0 equal ${yi} variable y0 equal 8.41906071819362 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.74803724805003 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.50701206840572 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 805 -2.9871562 -1.7149487 -1.6794377 806 -2.9871562 -1.7149487 -1.6857677 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.81409508505946 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.41906071819362 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 23 variable x0 equal ${xi} variable x0 equal 1.15155310948544 variable y0 equal ${yi} variable y0 equal 1.8275491871602 set atom $i x ${xnew} set atom 23 x ${xnew} set atom 23 x 1.07676643450909 1 settings made for x set atom $i y ${ynew} set atom 23 y ${ynew} set atom 23 y 1.85376013896531 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 806 -2.9871562 -1.7149487 -1.6857677 807 -2.9871562 -1.7149487 -1.7154124 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.71541235117933 variable naccept equal ${increment} variable naccept equal 249 next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.19226642608205 variable y0 equal ${yi} variable y0 equal 1.99900682351654 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.17815570592443 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 1.94011161706512 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 807 -2.9871562 -1.7154124 -1.7154124 808 -2.9871562 -1.7154124 -1.712074 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 27 x ${x0} set atom 27 x 3.19226642608205 1 settings made for x set atom $i y ${y0} set atom 27 y ${y0} set atom 27 y 1.99900682351654 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 62 variable x0 equal ${xi} variable x0 equal 0.670342476764585 variable y0 equal ${yi} variable y0 equal 6.59568084017267 set atom $i x ${xnew} set atom 62 x ${xnew} set atom 62 x 0.755311007896329 1 settings made for x set atom $i y ${ynew} set atom 62 y ${ynew} set atom 62 y 6.66811671988001 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 808 -2.9871562 -1.7154124 -1.712074 809 -2.9871562 -1.7154124 -1.6360247 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 62 x ${x0} set atom 62 x 0.670342476764585 1 settings made for x set atom $i y ${y0} set atom 62 y ${y0} set atom 62 y 6.59568084017267 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.4157506708166 variable y0 equal ${yi} variable y0 equal 6.43439372316829 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.3847260002157 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.41507747904292 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 809 -2.9871562 -1.7154124 -1.6360247 810 -2.9871562 -1.7154124 -1.7116759 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.4157506708166 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.43439372316829 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.49823891638834 variable y0 equal ${yi} variable y0 equal 3.73309955163132 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.5353129100712 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.70306807322632 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 810 -2.9871562 -1.7154124 -1.7116759 811 -2.9871562 -1.7154124 -1.7050583 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 53 x ${x0} set atom 53 x 6.49823891638834 1 settings made for x set atom $i y ${y0} set atom 53 y ${y0} set atom 53 y 3.73309955163132 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.93586747366935 variable y0 equal ${yi} variable y0 equal 0.897689135778275 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 8.98561896998435 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 0.845864470708695 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 811 -2.9871562 -1.7154124 -1.7050583 812 -2.9871562 -1.7154124 -1.6765198 Loop time of 4.22001e-05 on 1 procs for 1 steps with 100 atoms 2369.7% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 8.93586747366935 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.897689135778275 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.02894908466979 variable y0 equal ${yi} variable y0 equal 4.5368351375477 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.05895539799377 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.54176601523325 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 812 -2.9871562 -1.7154124 -1.6765198 813 -2.9871562 -1.7154124 -1.7179262 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.71792617158171 variable naccept equal ${increment} variable naccept equal 250 next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.15771750847207 variable y0 equal ${yi} variable y0 equal 7.45649659958148 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.12867298761712 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.4769077095058 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 813 -2.9871562 -1.7179262 -1.7179262 814 -2.9871562 -1.7179262 -1.7085591 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.15771750847207 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.45649659958148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.37579730828019 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.48046635334689 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 814 -2.9871562 -1.7179262 -1.7085591 815 -2.9871562 -1.7179262 -1.7166566 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.49239535489503 variable y0 equal ${yi} variable y0 equal 3.71645880503785 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.54407576480333 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.66106940074097 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 815 -2.9871562 -1.7179262 -1.7166566 816 -2.9871562 -1.7179262 -1.7238768 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.7238768318224 variable naccept equal ${increment} variable naccept equal 251 next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.15834543148385 variable y0 equal ${yi} variable y0 equal 1.95142827413148 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.19929245153771 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.88929442546434 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 816 -2.9871562 -1.7238768 -1.7238768 817 -2.9871562 -1.7238768 -1.7215747 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.15834543148385 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.95142827413148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.50235789218808 variable y0 equal ${yi} variable y0 equal 3.73372400565278 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.46953660646344 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.80056632323396 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 817 -2.9871562 -1.7238768 -1.7215747 818 -2.9871562 -1.7238768 -1.6380307 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 51 x ${x0} set atom 51 x 5.50235789218808 1 settings made for x set atom $i y ${y0} set atom 51 y ${y0} set atom 51 y 3.73372400565278 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.70111999392291 variable y0 equal ${yi} variable y0 equal 6.45056509510509 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.68808116793414 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.45315314070217 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 818 -2.9871562 -1.7238768 -1.6380307 819 -2.9871562 -1.7238768 -1.7236905 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.72369048372649 variable naccept equal ${increment} variable naccept equal 252 next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.19226642608205 variable y0 equal ${yi} variable y0 equal 1.99900682351654 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.27580102443258 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 2.01401815793579 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 819 -2.9871562 -1.7236905 -1.7236905 820 -2.9871562 -1.7236905 -1.7207422 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 27 x ${x0} set atom 27 x 3.19226642608205 1 settings made for x set atom $i y ${y0} set atom 27 y ${y0} set atom 27 y 1.99900682351654 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.31983832835275 variable y0 equal ${yi} variable y0 equal 9.28122769105762 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.34766563891488 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y 9.31750871646732 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 820 -2.9871562 -1.7236905 -1.7207422 821 -2.9871562 -1.7236905 -1.7299009 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.72990088558441 variable naccept equal ${increment} variable naccept equal 253 next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.545649071136379 variable y0 equal ${yi} variable y0 equal 2.77431966039041 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.506126149097347 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.79404684277872 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 821 -2.9871562 -1.7299009 -1.7299009 822 -2.9871562 -1.7299009 -1.7200473 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.545649071136379 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.77431966039041 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.8951647126609 variable y0 equal ${yi} variable y0 equal 2.85868977280953 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 4.82051015734016 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.87694795104363 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 822 -2.9871562 -1.7299009 -1.7200473 823 -2.9871562 -1.7299009 -1.7187772 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 30 x ${x0} set atom 30 x 4.8951647126609 1 settings made for x set atom $i y ${y0} set atom 30 y ${y0} set atom 30 y 2.85868977280953 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.01127850452766 variable y0 equal ${yi} variable y0 equal 9.27465030658572 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 2.00726719538078 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y 9.30946243512957 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 823 -2.9871562 -1.7299009 -1.7187772 824 -2.9871562 -1.7299009 -1.7320613 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.73206125250078 variable naccept equal ${increment} variable naccept equal 254 next iter jump SELF loop variable i equal ${irandom} variable i equal 86 variable x0 equal ${xi} variable x0 equal 2.8117458124919 variable y0 equal ${yi} variable y0 equal 8.46798524774608 set atom $i x ${xnew} set atom 86 x ${xnew} set atom 86 x 2.82491954763365 1 settings made for x set atom $i y ${ynew} set atom 86 y ${ynew} set atom 86 y 8.43477009452876 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 824 -2.9871562 -1.7320613 -1.7320613 825 -2.9871562 -1.7320613 -1.7284482 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 86 x ${x0} set atom 86 x 2.8117458124919 1 settings made for x set atom $i y ${y0} set atom 86 y ${y0} set atom 86 y 8.46798524774608 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.19226642608205 variable y0 equal ${yi} variable y0 equal 1.99900682351654 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.11506557225743 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 2.08289370915955 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 825 -2.9871562 -1.7320613 -1.7284482 826 -2.9871562 -1.7320613 -1.6249889 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 27 x ${x0} set atom 27 x 3.19226642608205 1 settings made for x set atom $i y ${y0} set atom 27 y ${y0} set atom 27 y 1.99900682351654 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.81409508505946 variable y0 equal ${yi} variable y0 equal 8.41906071819362 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.80300982514506 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.35141929306087 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 826 -2.9871562 -1.7320613 -1.6249889 827 -2.9871562 -1.7320613 -1.7346054 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.73460542707606 variable naccept equal ${increment} variable naccept equal 255 next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.15834543148385 variable y0 equal ${yi} variable y0 equal 1.95142827413148 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.16921079794274 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.86157575032777 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 827 -2.9871562 -1.7346054 -1.7346054 828 -2.9871562 -1.7346054 -1.7375381 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.73753808415106 variable naccept equal ${increment} variable naccept equal 256 next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 10.6911063273601 variable y0 equal ${yi} variable y0 equal 5.45732250158982 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 10.7603496750049 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.40226048176484 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 828 -2.9871562 -1.7375381 -1.7375381 829 -2.9871562 -1.7375381 -1.6715626 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 61 x ${x0} set atom 61 x 10.6911063273601 1 settings made for x set atom $i y ${y0} set atom 61 y ${y0} set atom 61 y 5.45732250158982 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.3012590146021 variable y0 equal ${yi} variable y0 equal 5.54728171770769 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.31808795690099 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.6091846699019 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 829 -2.9871562 -1.7375381 -1.6715626 830 -2.9871562 -1.7375381 -1.7378855 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.73788552752348 variable naccept equal ${increment} variable naccept equal 257 next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.33270156462403 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.62247182076175 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 830 -2.9871562 -1.7378855 -1.7378855 831 -2.9871562 -1.7378855 -1.731006 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.11236243842937 variable y0 equal ${yi} variable y0 equal 8.24853718198832 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.0390900432954 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.15848807014521 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 831 -2.9871562 -1.7378855 -1.731006 832 -2.9871562 -1.7378855 -1.6564567 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.11236243842937 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.24853718198832 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 42 variable x0 equal ${xi} variable x0 equal 0.452082355419064 variable y0 equal ${yi} variable y0 equal 4.6216128265278 set atom $i x ${xnew} set atom 42 x ${xnew} set atom 42 x 0.463221640983487 1 settings made for x set atom $i y ${ynew} set atom 42 y ${ynew} set atom 42 y 4.61717816943094 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 832 -2.9871562 -1.7378855 -1.6564567 833 -2.9871562 -1.7378855 -1.7413497 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.74134970778084 variable naccept equal ${increment} variable naccept equal 258 next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.16921079794274 variable y0 equal ${yi} variable y0 equal 1.86157575032777 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.10097406545983 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.77437192580766 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 833 -2.9871562 -1.7413497 -1.7413497 834 -2.9871562 -1.7413497 -1.7142023 Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.16921079794274 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.86157575032777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 7.01762646713897 variable y0 equal ${yi} variable y0 equal 8.4145590535551 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 7.10199905911132 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.48179557241496 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 834 -2.9871562 -1.7413497 -1.7142023 835 -2.9871562 -1.7413497 -1.6541726 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 7.01762646713897 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.4145590535551 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.79853938141947 variable y0 equal ${yi} variable y0 equal 4.56348908299372 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.76206280509119 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.61360334509775 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 835 -2.9871562 -1.7413497 -1.6541726 836 -2.9871562 -1.7413497 -1.7474607 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.74746065385794 variable naccept equal ${increment} variable naccept equal 259 next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.51275517780553 variable y0 equal ${yi} variable y0 equal 3.68194531960619 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.41856354315053 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.62043429179323 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 836 -2.9871562 -1.7474607 -1.7474607 837 -2.9871562 -1.7474607 -1.6352291 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 55 x ${x0} set atom 55 x 7.51275517780553 1 settings made for x set atom $i y ${y0} set atom 55 y ${y0} set atom 55 y 3.68194531960619 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.80300982514506 variable y0 equal ${yi} variable y0 equal 8.35141929306087 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.78031573811656 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.45079431451854 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 837 -2.9871562 -1.7474607 -1.6352291 838 -2.9871562 -1.7474607 -1.7443247 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.80300982514506 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.35141929306087 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.49823891638834 variable y0 equal ${yi} variable y0 equal 3.73309955163132 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.43797509192545 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.75269721312653 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 838 -2.9871562 -1.7474607 -1.7443247 839 -2.9871562 -1.7474607 -1.7189583 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 53 x ${x0} set atom 53 x 6.49823891638834 1 settings made for x set atom $i y ${y0} set atom 53 y ${y0} set atom 53 y 3.73309955163132 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 99 variable x0 equal ${xi} variable x0 equal 9.79539506910918 variable y0 equal ${yi} variable y0 equal 7.31491797294879 set atom $i x ${xnew} set atom 99 x ${xnew} set atom 99 x 9.71676251171706 1 settings made for x set atom $i y ${ynew} set atom 99 y ${ynew} set atom 99 y 7.30314036932254 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 839 -2.9871562 -1.7474607 -1.7189583 840 -2.9871562 -1.7474607 -1.7257599 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 99 x ${x0} set atom 99 x 9.79539506910918 1 settings made for x set atom $i y ${y0} set atom 99 y ${y0} set atom 99 y 7.31491797294879 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.40756498654099 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.47580430453021 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 840 -2.9871562 -1.7474607 -1.7257599 841 -2.9871562 -1.7474607 -1.7448247 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.55546174207155 variable y0 equal ${yi} variable y0 equal 5.67337435429292 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.64938848176424 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.74479483311372 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 841 -2.9871562 -1.7474607 -1.7448247 842 -2.9871562 -1.7474607 -1.723538 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.55546174207155 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.67337435429292 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.61125521540423 variable y0 equal ${yi} variable y0 equal 4.63791933411523 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.68902118086596 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.62316301220819 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 842 -2.9871562 -1.7474607 -1.723538 843 -2.9871562 -1.7474607 -1.7367142 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.61125521540423 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.63791933411523 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 75 variable x0 equal ${xi} variable x0 equal 7.43141517479192 variable y0 equal ${yi} variable y0 equal 5.56478210632998 set atom $i x ${xnew} set atom 75 x ${xnew} set atom 75 x 7.42118378717672 1 settings made for x set atom $i y ${ynew} set atom 75 y ${ynew} set atom 75 y 5.53502851669985 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 843 -2.9871562 -1.7474607 -1.7367142 844 -2.9871562 -1.7474607 -1.7437864 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 75 x ${x0} set atom 75 x 7.43141517479192 1 settings made for x set atom $i y ${y0} set atom 75 y ${y0} set atom 75 y 5.56478210632998 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.4157506708166 variable y0 equal ${yi} variable y0 equal 6.43439372316829 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.3655255559942 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.39485923782817 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 844 -2.9871562 -1.7474607 -1.7437864 845 -2.9871562 -1.7474607 -1.7298688 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.4157506708166 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.43439372316829 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.3139669903061 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.59370591585833 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 845 -2.9871562 -1.7474607 -1.7298688 846 -2.9871562 -1.7474607 -1.7389343 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.43885856071379 variable y0 equal ${yi} variable y0 equal 5.558475553443 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.3636493364897 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.64867931549744 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 846 -2.9871562 -1.7474607 -1.7389343 847 -2.9871562 -1.7474607 -1.722129 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.43885856071379 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.558475553443 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.48253180264112 variable y0 equal ${yi} variable y0 equal 1.83061694285935 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.47240171908018 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.88506176850861 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 847 -2.9871562 -1.7474607 -1.722129 848 -2.9871562 -1.7474607 -1.7206962 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 39 x ${x0} set atom 39 x 9.48253180264112 1 settings made for x set atom $i y ${y0} set atom 39 y ${y0} set atom 39 y 1.83061694285935 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.05895539799377 variable y0 equal ${yi} variable y0 equal 4.54176601523325 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.07315314093276 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.61574550026819 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 848 -2.9871562 -1.7474607 -1.7206962 849 -2.9871562 -1.7474607 -1.7620799 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.76207991831476 variable naccept equal ${increment} variable naccept equal 260 next iter jump SELF loop variable i equal ${irandom} variable i equal 38 variable x0 equal ${xi} variable x0 equal 9.17293971497565 variable y0 equal ${yi} variable y0 equal 2.77695646258691 set atom $i x ${xnew} set atom 38 x ${xnew} set atom 38 x 9.20978398043662 1 settings made for x set atom $i y ${ynew} set atom 38 y ${ynew} set atom 38 y 2.75552356215814 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 849 -2.9871562 -1.7620799 -1.7620799 850 -2.9871562 -1.7620799 -1.7416089 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 38 x ${x0} set atom 38 x 9.17293971497565 1 settings made for x set atom $i y ${y0} set atom 38 y ${y0} set atom 38 y 2.77695646258691 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.27689530053999 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y 0.0811638355255102 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 850 -2.9871562 -1.7620799 -1.7416089 851 -2.9871562 -1.7620799 -1.7359606 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.83310471732608 variable y0 equal ${yi} variable y0 equal 8.3484317771345 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.88852144439212 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.27566140808161 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 851 -2.9871562 -1.7620799 -1.7359606 852 -2.9871562 -1.7620799 -1.7144672 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.83310471732608 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.3484317771345 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.42581077654135 variable y0 equal ${yi} variable y0 equal 0.00200206041336068 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.36191954452765 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y -0.0152604103088378 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 852 -2.9871562 -1.7620799 -1.7144672 853 -2.9871562 -1.7620799 -1.7353789 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.42581077654135 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.00200206041336068 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 63 variable x0 equal ${xi} variable x0 equal 0.987933591205408 variable y0 equal ${yi} variable y0 equal 5.5415678853293 set atom $i x ${xnew} set atom 63 x ${xnew} set atom 63 x 0.970411589938929 1 settings made for x set atom $i y ${ynew} set atom 63 y ${ynew} set atom 63 y 5.63164653723436 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 853 -2.9871562 -1.7620799 -1.7353789 854 -2.9871562 -1.7620799 -1.7544478 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 63 x ${x0} set atom 63 x 0.987933591205408 1 settings made for x set atom $i y ${y0} set atom 63 y ${y0} set atom 63 y 5.5415678853293 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.42581077654135 variable y0 equal ${yi} variable y0 equal 0.00200206041336068 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.50117924053442 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y 9.1314315796738e-06 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 854 -2.9871562 -1.7620799 -1.7544478 855 -2.9871562 -1.7620799 -1.7678181 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.7678180974512 variable naccept equal ${increment} variable naccept equal 261 next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.12744101880885 variable y0 equal ${yi} variable y0 equal 6.56631985441675 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 8.07809329627849 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.61771571175089 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 855 -2.9871562 -1.7678181 -1.7678181 856 -2.9871562 -1.7678181 -1.7414795 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 76 x ${x0} set atom 76 x 8.12744101880885 1 settings made for x set atom $i y ${y0} set atom 76 y ${y0} set atom 76 y 6.56631985441675 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.6697051664157 variable y0 equal ${yi} variable y0 equal 0.985170360315169 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.67562869985534 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 0.952592285383071 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 856 -2.9871562 -1.7678181 -1.7414795 857 -2.9871562 -1.7678181 -1.7715483 Loop time of 4.22001e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.77154834512522 variable naccept equal ${increment} variable naccept equal 262 next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.1799755902961 variable y0 equal ${yi} variable y0 equal 6.56346605555049 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 9.27159607131035 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.60711233154765 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 857 -2.9871562 -1.7715483 -1.7715483 858 -2.9871562 -1.7715483 -1.6883269 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 78 x ${x0} set atom 78 x 9.1799755902961 1 settings made for x set atom $i y ${y0} set atom 78 y ${y0} set atom 78 y 6.56346605555049 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.80300982514506 variable y0 equal ${yi} variable y0 equal 8.35141929306087 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.78193971434718 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.31736352361736 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 858 -2.9871562 -1.7715483 -1.6883269 859 -2.9871562 -1.7715483 -1.7714943 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.77149428687474 variable naccept equal ${increment} variable naccept equal 263 next iter jump SELF loop variable i equal ${irandom} variable i equal 12 variable x0 equal ${xi} variable x0 equal 5.81250222880832 variable y0 equal ${yi} variable y0 equal 0.959874435174792 set atom $i x ${xnew} set atom 12 x ${xnew} set atom 12 x 5.79718234498493 1 settings made for x set atom $i y ${ynew} set atom 12 y ${ynew} set atom 12 y 0.980774923074572 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 859 -2.9871562 -1.7714943 -1.7714943 860 -2.9871562 -1.7714943 -1.7610263 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 12 x ${x0} set atom 12 x 5.81250222880832 1 settings made for x set atom $i y ${y0} set atom 12 y ${y0} set atom 12 y 0.959874435174792 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.48253180264112 variable y0 equal ${yi} variable y0 equal 1.83061694285935 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.4890811848509 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.9203353919751 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 860 -2.9871562 -1.7714943 -1.7610263 861 -2.9871562 -1.7714943 -1.7253484 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 39 x ${x0} set atom 39 x 9.48253180264112 1 settings made for x set atom $i y ${y0} set atom 39 y ${y0} set atom 39 y 1.83061694285935 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 93 variable x0 equal ${xi} variable x0 equal 6.37491369961817 variable y0 equal ${yi} variable y0 equal 7.49044490185045 set atom $i x ${xnew} set atom 93 x ${xnew} set atom 93 x 6.4014548849972 1 settings made for x set atom $i y ${ynew} set atom 93 y ${ynew} set atom 93 y 7.57898224916719 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 861 -2.9871562 -1.7714943 -1.7253484 862 -2.9871562 -1.7714943 -1.767324 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 93 x ${x0} set atom 93 x 6.37491369961817 1 settings made for x set atom $i y ${y0} set atom 93 y ${y0} set atom 93 y 7.49044490185045 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 86 variable x0 equal ${xi} variable x0 equal 2.8117458124919 variable y0 equal ${yi} variable y0 equal 8.46798524774608 set atom $i x ${xnew} set atom 86 x ${xnew} set atom 86 x 2.76742996175719 1 settings made for x set atom $i y ${ynew} set atom 86 y ${ynew} set atom 86 y 8.37876136220989 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 862 -2.9871562 -1.7714943 -1.767324 863 -2.9871562 -1.7714943 -1.77987 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.77986997125106 variable naccept equal ${increment} variable naccept equal 264 next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.1148146752378 variable y0 equal ${yi} variable y0 equal 4.54698911065027 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.1870918158552 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.52216164225504 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 863 -2.9871562 -1.77987 -1.77987 864 -2.9871562 -1.77987 -1.7770706 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 60 x ${x0} set atom 60 x 10.1148146752378 1 settings made for x set atom $i y ${y0} set atom 60 y ${y0} set atom 60 y 4.54698911065027 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 63 variable x0 equal ${xi} variable x0 equal 0.987933591205408 variable y0 equal ${yi} variable y0 equal 5.5415678853293 set atom $i x ${xnew} set atom 63 x ${xnew} set atom 63 x 0.940977111656 1 settings made for x set atom $i y ${ynew} set atom 63 y ${ynew} set atom 63 y 5.55659837668138 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 864 -2.9871562 -1.77987 -1.7770706 865 -2.9871562 -1.77987 -1.7705454 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 63 x ${x0} set atom 63 x 0.987933591205408 1 settings made for x set atom $i y ${y0} set atom 63 y ${y0} set atom 63 y 5.5415678853293 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.85495240012294 variable y0 equal ${yi} variable y0 equal 6.60158496633997 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.79614609995967 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.5482283546113 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 865 -2.9871562 -1.77987 -1.7705454 866 -2.9871562 -1.77987 -1.806665 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.806665028451 variable naccept equal ${increment} variable naccept equal 265 next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.67562869985534 variable y0 equal ${yi} variable y0 equal 0.952592285383071 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.64316184719039 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 0.981975110280837 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 866 -2.9871562 -1.806665 -1.806665 867 -2.9871562 -1.806665 -1.7997506 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 6 x ${x0} set atom 6 x 2.67562869985534 1 settings made for x set atom $i y ${y0} set atom 6 y ${y0} set atom 6 y 0.952592285383071 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.27643877028982 variable y0 equal ${yi} variable y0 equal 0.075750613212595 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.29421101569692 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y 0.0836683034896946 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 867 -2.9871562 -1.806665 -1.7997506 868 -2.9871562 -1.806665 -1.8041576 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 7 x ${x0} set atom 7 x 3.27643877028982 1 settings made for x set atom $i y ${y0} set atom 7 y ${y0} set atom 7 y 0.075750613212595 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.15410325844937 variable y0 equal ${yi} variable y0 equal 3.75003771348131 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 1.07365404685193 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.82614970965517 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 868 -2.9871562 -1.806665 -1.8041576 869 -2.9871562 -1.806665 -1.7886142 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 43 x ${x0} set atom 43 x 1.15410325844937 1 settings made for x set atom $i y ${y0} set atom 43 y ${y0} set atom 43 y 3.75003771348131 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.27643877028982 variable y0 equal ${yi} variable y0 equal 0.075750613212595 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.22492432355444 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y 0.0240613460540867 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 869 -2.9871562 -1.806665 -1.7886142 870 -2.9871562 -1.806665 -1.8091695 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.80916947117934 variable naccept equal ${increment} variable naccept equal 266 next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 7.01762646713897 variable y0 equal ${yi} variable y0 equal 8.4145590535551 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 7.06616003790542 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.3359661928564 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 870 -2.9871562 -1.8091695 -1.8091695 871 -2.9871562 -1.8091695 -1.7984077 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 7.01762646713897 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.4145590535551 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 82 variable x0 equal ${xi} variable x0 equal 0.44764589826193 variable y0 equal ${yi} variable y0 equal 8.32563534893091 set atom $i x ${xnew} set atom 82 x ${xnew} set atom 82 x 0.437935324111845 1 settings made for x set atom $i y ${ynew} set atom 82 y ${ynew} set atom 82 y 8.27539102949197 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 871 -2.9871562 -1.8091695 -1.7984077 872 -2.9871562 -1.8091695 -1.8011407 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 82 x ${x0} set atom 82 x 0.44764589826193 1 settings made for x set atom $i y ${y0} set atom 82 y ${y0} set atom 82 y 8.32563534893091 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.49823891638834 variable y0 equal ${yi} variable y0 equal 3.73309955163132 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.45785246609766 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.78388739390503 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 872 -2.9871562 -1.8091695 -1.8011407 873 -2.9871562 -1.8091695 -1.7772647 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 53 x ${x0} set atom 53 x 6.49823891638834 1 settings made for x set atom $i y ${y0} set atom 53 y ${y0} set atom 53 y 3.73309955163132 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.80888134757167 variable y0 equal ${yi} variable y0 equal 2.87047326537469 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.85786454001552 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.82388043376306 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 873 -2.9871562 -1.8091695 -1.7772647 874 -2.9871562 -1.8091695 -1.8156336 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.81563357000894 variable naccept equal ${increment} variable naccept equal 267 next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.90086858232013 variable y0 equal ${yi} variable y0 equal 2.85332814427712 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.85718136985294 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.75521967383721 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 874 -2.9871562 -1.8156336 -1.8156336 875 -2.9871562 -1.8156336 -1.7610176 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 32 x ${x0} set atom 32 x 5.90086858232013 1 settings made for x set atom $i y ${y0} set atom 32 y ${y0} set atom 32 y 2.85332814427712 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.68808116793414 variable y0 equal ${yi} variable y0 equal 6.45315314070217 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.68556072592517 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.51192690865032 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 875 -2.9871562 -1.8156336 -1.7610176 876 -2.9871562 -1.8156336 -1.8144365 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.68808116793414 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.45315314070217 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.15771750847207 variable y0 equal ${yi} variable y0 equal 7.45649659958148 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.23823409715997 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.44090699281955 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 876 -2.9871562 -1.8156336 -1.8144365 877 -2.9871562 -1.8156336 -1.8028861 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.15771750847207 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.45649659958148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 62 variable x0 equal ${xi} variable x0 equal 0.670342476764585 variable y0 equal ${yi} variable y0 equal 6.59568084017267 set atom $i x ${xnew} set atom 62 x ${xnew} set atom 62 x 0.69972850839224 1 settings made for x set atom $i y ${ynew} set atom 62 y ${ynew} set atom 62 y 6.49726980463495 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 877 -2.9871562 -1.8156336 -1.8028861 878 -2.9871562 -1.8156336 -1.8168734 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.81687335600279 variable naccept equal ${increment} variable naccept equal 268 next iter jump SELF loop variable i equal ${irandom} variable i equal 38 variable x0 equal ${xi} variable x0 equal 9.17293971497565 variable y0 equal ${yi} variable y0 equal 2.77695646258691 set atom $i x ${xnew} set atom 38 x ${xnew} set atom 38 x 9.21257117707282 1 settings made for x set atom $i y ${ynew} set atom 38 y ${ynew} set atom 38 y 2.75463815900186 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 878 -2.9871562 -1.8168734 -1.8168734 879 -2.9871562 -1.8168734 -1.794346 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 38 x ${x0} set atom 38 x 9.17293971497565 1 settings made for x set atom $i y ${y0} set atom 38 y ${y0} set atom 38 y 2.77695646258691 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.648263963049 variable y0 equal ${yi} variable y0 equal 9.2079006861481 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.7263296087437 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 9.29605919826358 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 879 -2.9871562 -1.8168734 -1.794346 880 -2.9871562 -1.8168734 -1.7888548 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 1 x ${x0} set atom 1 x 10.648263963049 1 settings made for x set atom $i y ${y0} set atom 1 y ${y0} set atom 1 y 9.2079006861481 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.18878640571939 variable y0 equal ${yi} variable y0 equal 5.5354710811873 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.09638055006372 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.52158027832704 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 880 -2.9871562 -1.8168734 -1.7888548 881 -2.9871562 -1.8168734 -1.8095481 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.18878640571939 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.5354710811873 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 74 variable x0 equal ${xi} variable x0 equal 7.1464075712268 variable y0 equal ${yi} variable y0 equal 6.56554357544413 set atom $i x ${xnew} set atom 74 x ${xnew} set atom 74 x 7.09398345032379 1 settings made for x set atom $i y ${ynew} set atom 74 y ${ynew} set atom 74 y 6.52802731529703 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 881 -2.9871562 -1.8168734 -1.8095481 882 -2.9871562 -1.8168734 -1.8485043 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.84850433096387 variable naccept equal ${increment} variable naccept equal 269 next iter jump SELF loop variable i equal ${irandom} variable i equal 93 variable x0 equal ${xi} variable x0 equal 6.37491369961817 variable y0 equal ${yi} variable y0 equal 7.49044490185045 set atom $i x ${xnew} set atom 93 x ${xnew} set atom 93 x 6.35256179093439 1 settings made for x set atom $i y ${ynew} set atom 93 y ${ynew} set atom 93 y 7.41641402569078 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 882 -2.9871562 -1.8485043 -1.8485043 883 -2.9871562 -1.8485043 -1.7839934 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 93 x ${x0} set atom 93 x 6.37491369961817 1 settings made for x set atom $i y ${y0} set atom 93 y ${y0} set atom 93 y 7.49044490185045 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.18878640571939 variable y0 equal ${yi} variable y0 equal 5.5354710811873 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.11623547712671 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.54375295584398 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 883 -2.9871562 -1.8485043 -1.7839934 884 -2.9871562 -1.8485043 -1.8447424 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.18878640571939 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.5354710811873 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.43885856071379 variable y0 equal ${yi} variable y0 equal 5.558475553443 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.49670985141661 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.54231803362565 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 884 -2.9871562 -1.8485043 -1.8447424 885 -2.9871562 -1.8485043 -1.8213681 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.43885856071379 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.558475553443 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.50117924053442 variable y0 equal ${yi} variable y0 equal 9.1314315796738e-06 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.45333666641485 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y 0.0547606468200684 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 885 -2.9871562 -1.8485043 -1.8213681 886 -2.9871562 -1.8485043 -1.8495105 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.84951047963468 variable naccept equal ${increment} variable naccept equal 270 next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.12744101880885 variable y0 equal ${yi} variable y0 equal 6.56631985441675 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 8.09401165841914 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.63510320917597 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 886 -2.9871562 -1.8495105 -1.8495105 887 -2.9871562 -1.8495105 -1.8311127 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 76 x ${x0} set atom 76 x 8.12744101880885 1 settings made for x set atom $i y ${y0} set atom 76 y ${y0} set atom 76 y 6.56631985441675 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.00726719538078 variable y0 equal ${yi} variable y0 equal 0.00341384410857337 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 2.01052051226005 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y -0.0541815400123678 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 887 -2.9871562 -1.8495105 -1.8311127 888 -2.9871562 -1.8495105 -1.8403448 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 2.00726719538078 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 0.00341384410857337 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 10.6911063273601 variable y0 equal ${yi} variable y0 equal 5.45732250158982 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 10.6780122597866 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.49399188702302 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 888 -2.9871562 -1.8495105 -1.8403448 889 -2.9871562 -1.8495105 -1.8445207 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 61 x ${x0} set atom 61 x 10.6911063273601 1 settings made for x set atom $i y ${y0} set atom 61 y ${y0} set atom 61 y 5.45732250158982 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.33299971897813 variable y0 equal ${yi} variable y0 equal 1.87642453095979 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.40642988760682 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.93637384555406 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 889 -2.9871562 -1.8495105 -1.8445207 890 -2.9871562 -1.8495105 -1.8049042 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.33299971897813 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.87642453095979 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.90086858232013 variable y0 equal ${yi} variable y0 equal 2.85332814427712 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.80276870687 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.87720658751824 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 890 -2.9871562 -1.8495105 -1.8049042 891 -2.9871562 -1.8495105 -1.7718696 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 32 x ${x0} set atom 32 x 5.90086858232013 1 settings made for x set atom $i y ${y0} set atom 32 y ${y0} set atom 32 y 2.85332814427712 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.302839982893 variable y0 equal ${yi} variable y0 equal 0.902523060548633 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.3689436797161 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.889873083341449 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 891 -2.9871562 -1.8495105 -1.7718696 892 -2.9871562 -1.8495105 -1.8330488 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 20 x ${x0} set atom 20 x 10.302839982893 1 settings made for x set atom $i y ${y0} set atom 20 y ${y0} set atom 20 y 0.902523060548633 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.00726719538078 variable y0 equal ${yi} variable y0 equal 0.00341384410857337 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 1.91512526909218 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y -0.054757344722756 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 892 -2.9871562 -1.8495105 -1.8330488 893 -2.9871562 -1.8495105 -1.7956895 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 2.00726719538078 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 0.00341384410857337 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.36479252655717 variable y0 equal ${yi} variable y0 equal 7.37975311603808 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.37078342516633 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.47192827787661 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 893 -2.9871562 -1.8495105 -1.7956895 894 -2.9871562 -1.8495105 -1.6915763 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.36479252655717 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.37975311603808 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.9486086213523 variable y0 equal ${yi} variable y0 equal 6.50839406982889 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.87741336464225 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.4556893421792 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 894 -2.9871562 -1.8495105 -1.6915763 895 -2.9871562 -1.8495105 -1.8563081 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.85630807294211 variable naccept equal ${increment} variable naccept equal 271 next iter jump SELF loop variable i equal ${irandom} variable i equal 36 variable x0 equal ${xi} variable x0 equal 7.9432972490678 variable y0 equal ${yi} variable y0 equal 2.61277595731118 set atom $i x ${xnew} set atom 36 x ${xnew} set atom 36 x 8.03611046670772 1 settings made for x set atom $i y ${ynew} set atom 36 y ${ynew} set atom 36 y 2.66520280810693 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 895 -2.9871562 -1.8563081 -1.8563081 896 -2.9871562 -1.8563081 -1.898889 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.898889046044 variable naccept equal ${increment} variable naccept equal 272 next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.06611787675716 variable y0 equal ${yi} variable y0 equal 4.67376009577678 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.10189970134594 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.6733581578152 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 896 -2.9871562 -1.898889 -1.898889 897 -2.9871562 -1.898889 -1.9044415 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.90444152364981 variable naccept equal ${increment} variable naccept equal 273 next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.30100279251004 variable y0 equal ${yi} variable y0 equal 7.47468527879977 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.23490547338391 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.4095374139812 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 897 -2.9871562 -1.9044415 -1.9044415 898 -2.9871562 -1.9044415 -1.8238942 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.30100279251004 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.47468527879977 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.55546174207155 variable y0 equal ${yi} variable y0 equal 5.67337435429292 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.53715084948961 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.65096529667573 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 898 -2.9871562 -1.9044415 -1.8238942 899 -2.9871562 -1.9044415 -1.9034727 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.55546174207155 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.67337435429292 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.31064851680662 variable y0 equal ${yi} variable y0 equal 1.91864991567201 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.31822384992506 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.99991759440965 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 899 -2.9871562 -1.9044415 -1.9034727 900 -2.9871562 -1.9044415 -1.8879259 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 31 x ${x0} set atom 31 x 5.31064851680662 1 settings made for x set atom $i y ${y0} set atom 31 y ${y0} set atom 31 y 1.91864991567201 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.19226642608205 variable y0 equal ${yi} variable y0 equal 1.99900682351654 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.2535330629305 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 2.05843172452515 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 900 -2.9871562 -1.9044415 -1.8879259 901 -2.9871562 -1.9044415 -1.8895205 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 27 x ${x0} set atom 27 x 3.19226642608205 1 settings made for x set atom $i y ${y0} set atom 27 y ${y0} set atom 27 y 1.99900682351654 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.61125521540423 variable y0 equal ${yi} variable y0 equal 4.63791933411523 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.55263628840228 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.61806922310754 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 901 -2.9871562 -1.9044415 -1.8895205 902 -2.9871562 -1.9044415 -1.8894347 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.61125521540423 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.63791933411523 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 84 variable x0 equal ${xi} variable x0 equal 1.63794375538607 variable y0 equal ${yi} variable y0 equal 8.371298693791 set atom $i x ${xnew} set atom 84 x ${xnew} set atom 84 x 1.57181516766329 1 settings made for x set atom $i y ${ynew} set atom 84 y ${ynew} set atom 84 y 8.41880447782573 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 902 -2.9871562 -1.9044415 -1.8894347 903 -2.9871562 -1.9044415 -1.9013203 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 84 x ${x0} set atom 84 x 1.63794375538607 1 settings made for x set atom $i y ${y0} set atom 84 y ${y0} set atom 84 y 8.371298693791 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.1148146752378 variable y0 equal ${yi} variable y0 equal 4.54698911065027 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.2080372814199 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.58732729309961 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 903 -2.9871562 -1.9044415 -1.9013203 904 -2.9871562 -1.9044415 -1.8921253 Loop time of 3.57628e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 60 x ${x0} set atom 60 x 10.1148146752378 1 settings made for x set atom $i y ${y0} set atom 60 y ${y0} set atom 60 y 4.54698911065027 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.75239680647192 variable y0 equal ${yi} variable y0 equal 8.22711012281474 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.77716802000341 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.29469001211223 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 904 -2.9871562 -1.9044415 -1.8921253 905 -2.9871562 -1.9044415 -1.96883 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.96882999923653 variable naccept equal ${increment} variable naccept equal 274 next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.67562869985534 variable y0 equal ${yi} variable y0 equal 0.952592285383071 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.72335403163863 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 1.00596850703987 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 905 -2.9871562 -1.96883 -1.96883 906 -2.9871562 -1.96883 -1.9584192 Loop time of 3.57628e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 6 x ${x0} set atom 6 x 2.67562869985534 1 settings made for x set atom $i y ${y0} set atom 6 y ${y0} set atom 6 y 0.952592285383071 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.49823891638834 variable y0 equal ${yi} variable y0 equal 3.73309955163132 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.50184303044397 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.70548086924683 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 906 -2.9871562 -1.96883 -1.9584192 907 -2.9871562 -1.96883 -1.9651462 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 53 x ${x0} set atom 53 x 6.49823891638834 1 settings made for x set atom $i y ${y0} set atom 53 y ${y0} set atom 53 y 3.73309955163132 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.96819095888778 variable y0 equal ${yi} variable y0 equal 2.85498608323434 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 7.00566191950485 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.75901733609536 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 907 -2.9871562 -1.96883 -1.9651462 908 -2.9871562 -1.96883 -1.9380834 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.96819095888778 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.85498608323434 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.07315314093276 variable y0 equal ${yi} variable y0 equal 4.61574550026819 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.10430413761779 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.63864480608865 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 908 -2.9871562 -1.96883 -1.9380834 909 -2.9871562 -1.96883 -1.9581143 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.07315314093276 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.61574550026819 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.36479252655717 variable y0 equal ${yi} variable y0 equal 7.37975311603808 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.40430182297441 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.34347770538592 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 909 -2.9871562 -1.96883 -1.9581143 910 -2.9871562 -1.96883 -1.9305019 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.36479252655717 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.37975311603808 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 99 variable x0 equal ${xi} variable x0 equal 9.79539506910918 variable y0 equal ${yi} variable y0 equal 7.31491797294879 set atom $i x ${xnew} set atom 99 x ${xnew} set atom 99 x 9.8455915021765 1 settings made for x set atom $i y ${ynew} set atom 99 y ${ynew} set atom 99 y 7.25126606550479 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 910 -2.9871562 -1.96883 -1.9305019 911 -2.9871562 -1.96883 -1.9345922 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 99 x ${x0} set atom 99 x 9.79539506910918 1 settings made for x set atom $i y ${y0} set atom 99 y ${y0} set atom 99 y 7.31491797294879 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.14655829985791 variable y0 equal ${yi} variable y0 equal 7.47608772840762 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.0809653671568 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.46382458534503 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 911 -2.9871562 -1.96883 -1.9345922 912 -2.9871562 -1.96883 -1.9738676 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.97386762752178 variable naccept equal ${increment} variable naccept equal 275 next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.62032703041811 variable y0 equal ${yi} variable y0 equal 0.920044656503527 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.64134974360247 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.972303231466143 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 912 -2.9871562 -1.9738676 -1.9738676 913 -2.9871562 -1.9738676 -1.9752551 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.97525508213883 variable naccept equal ${increment} variable naccept equal 276 next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.45333666641485 variable y0 equal ${yi} variable y0 equal 0.0547606468200684 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.46753388483297 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y 0.0335806965827942 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 913 -2.9871562 -1.9752551 -1.9752551 914 -2.9871562 -1.9752551 -1.9759005 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.9759004823869 variable naccept equal ${increment} variable naccept equal 277 next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.19388546387063 variable y0 equal ${yi} variable y0 equal 3.77270575328004 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.10336983839379 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.81754927201402 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 914 -2.9871562 -1.9759005 -1.9759005 915 -2.9871562 -1.9759005 -1.9339211 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.19388546387063 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.77270575328004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 49 variable x0 equal ${xi} variable x0 equal 4.29979468662949 variable y0 equal ${yi} variable y0 equal 3.68506254716051 set atom $i x ${xnew} set atom 49 x ${xnew} set atom 49 x 4.304910982444 1 settings made for x set atom $i y ${ynew} set atom 49 y ${ynew} set atom 49 y 3.59916743798387 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 915 -2.9871562 -1.9759005 -1.9339211 916 -2.9871562 -1.9759005 -1.8920455 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 49 x ${x0} set atom 49 x 4.29979468662949 1 settings made for x set atom $i y ${y0} set atom 49 y ${y0} set atom 49 y 3.68506254716051 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.49823891638834 variable y0 equal ${yi} variable y0 equal 3.73309955163132 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.46294486044962 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.64447017474304 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 916 -2.9871562 -1.9759005 -1.8920455 917 -2.9871562 -1.9759005 -1.9356762 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 53 x ${x0} set atom 53 x 6.49823891638834 1 settings made for x set atom $i y ${y0} set atom 53 y ${y0} set atom 53 y 3.73309955163132 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 3 variable x0 equal ${xi} variable x0 equal 0.926390245754054 variable y0 equal ${yi} variable y0 equal 9.23904097783893 set atom $i x ${xnew} set atom 3 x ${xnew} set atom 3 x 0.826606264907649 1 settings made for x set atom $i y ${ynew} set atom 3 y ${ynew} set atom 3 y 9.16000170219272 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 917 -2.9871562 -1.9759005 -1.9356762 918 -2.9871562 -1.9759005 -1.8791969 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 3 x ${x0} set atom 3 x 0.926390245754054 1 settings made for x set atom $i y ${y0} set atom 3 y ${y0} set atom 3 y 9.23904097783893 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 36 variable x0 equal ${xi} variable x0 equal 8.03611046670772 variable y0 equal ${yi} variable y0 equal 2.66520280810693 set atom $i x ${xnew} set atom 36 x ${xnew} set atom 36 x 8.13470910190441 1 settings made for x set atom $i y ${ynew} set atom 36 y ${ynew} set atom 36 y 2.76480350467065 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 918 -2.9871562 -1.9759005 -1.8791969 919 -2.9871562 -1.9759005 -1.974497 Loop time of 8.01086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 36 x ${x0} set atom 36 x 8.03611046670772 1 settings made for x set atom $i y ${y0} set atom 36 y ${y0} set atom 36 y 2.66520280810693 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 93 variable x0 equal ${xi} variable x0 equal 6.37491369961817 variable y0 equal ${yi} variable y0 equal 7.49044490185045 set atom $i x ${xnew} set atom 93 x ${xnew} set atom 93 x 6.32594456194956 1 settings made for x set atom $i y ${ynew} set atom 93 y ${ynew} set atom 93 y 7.5327549847629 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 919 -2.9871562 -1.9759005 -1.974497 920 -2.9871562 -1.9759005 -1.9562908 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 93 x ${x0} set atom 93 x 6.37491369961817 1 settings made for x set atom $i y ${y0} set atom 93 y ${y0} set atom 93 y 7.49044490185045 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.97472019155017 variable y0 equal ${yi} variable y0 equal 6.60899307266703 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 5.92934083898059 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.62002104059687 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 920 -2.9871562 -1.9759005 -1.9562908 921 -2.9871562 -1.9759005 -1.9761373 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.97613733252864 variable naccept equal ${increment} variable naccept equal 278 next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.07315314093276 variable y0 equal ${yi} variable y0 equal 4.61574550026819 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 6.97890646734878 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.54112321490213 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 921 -2.9871562 -1.9761373 -1.9761373 922 -2.9871562 -1.9761373 -1.9394616 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.07315314093276 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.61574550026819 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.46753388483297 variable y0 equal ${yi} variable y0 equal 0.0335806965827942 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.48726125795614 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y 0.016130006313324 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 922 -2.9871562 -1.9761373 -1.9394616 923 -2.9871562 -1.9761373 -1.9756706 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.46753388483297 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.0335806965827942 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.90086858232013 variable y0 equal ${yi} variable y0 equal 2.85332814427712 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.96341886479846 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.7646158334861 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 923 -2.9871562 -1.9761373 -1.9756706 924 -2.9871562 -1.9761373 -1.82011 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 32 x ${x0} set atom 32 x 5.90086858232013 1 settings made for x set atom $i y ${y0} set atom 32 y ${y0} set atom 32 y 2.85332814427712 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.648263963049 variable y0 equal ${yi} variable y0 equal 9.2079006861481 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.6009229858571 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 9.18416120517581 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 924 -2.9871562 -1.9761373 -1.82011 925 -2.9871562 -1.9761373 -1.9771175 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.97711745965933 variable naccept equal ${increment} variable naccept equal 279 next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.85786454001552 variable y0 equal ${yi} variable y0 equal 2.82388043376306 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.83042392054683 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.90555106374124 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 925 -2.9871562 -1.9771175 -1.9771175 926 -2.9871562 -1.9771175 -1.9333512 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.85786454001552 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.82388043376306 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.27487992127152 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.60176452343661 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 926 -2.9871562 -1.9771175 -1.9333512 927 -2.9871562 -1.9771175 -1.9497774 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 93 variable x0 equal ${xi} variable x0 equal 6.37491369961817 variable y0 equal ${yi} variable y0 equal 7.49044490185045 set atom $i x ${xnew} set atom 93 x ${xnew} set atom 93 x 6.38809825896342 1 settings made for x set atom $i y ${ynew} set atom 93 y ${ynew} set atom 93 y 7.41847480860018 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 927 -2.9871562 -1.9771175 -1.9497774 928 -2.9871562 -1.9771175 -1.9489323 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 93 x ${x0} set atom 93 x 6.37491369961817 1 settings made for x set atom $i y ${y0} set atom 93 y ${y0} set atom 93 y 7.49044490185045 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.19388546387063 variable y0 equal ${yi} variable y0 equal 3.77270575328004 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.09670307079659 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.74115505976808 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 928 -2.9871562 -1.9771175 -1.9489323 929 -2.9871562 -1.9771175 -1.9380407 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.19388546387063 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.77270575328004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.00726719538078 variable y0 equal ${yi} variable y0 equal 0.00341384410857337 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 2.09918585459099 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y -0.0787360072136007 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 929 -2.9871562 -1.9771175 -1.9380407 930 -2.9871562 -1.9771175 -1.9717239 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 2.00726719538078 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 0.00341384410857337 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.79614609995967 variable y0 equal ${yi} variable y0 equal 6.5482283546113 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.7935756377328 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.64798465506067 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 930 -2.9871562 -1.9771175 -1.9717239 931 -2.9871562 -1.9771175 -1.9345421 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 68 x ${x0} set atom 68 x 3.79614609995967 1 settings made for x set atom $i y ${y0} set atom 68 y ${y0} set atom 68 y 6.5482283546113 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 37 variable x0 equal ${xi} variable x0 equal 8.49348578610842 variable y0 equal ${yi} variable y0 equal 1.80821938893861 set atom $i x ${xnew} set atom 37 x ${xnew} set atom 37 x 8.51644313493197 1 settings made for x set atom $i y ${ynew} set atom 37 y ${ynew} set atom 37 y 1.73499640605516 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 931 -2.9871562 -1.9771175 -1.9345421 932 -2.9871562 -1.9771175 -1.9451163 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 37 x ${x0} set atom 37 x 8.49348578610842 1 settings made for x set atom $i y ${y0} set atom 37 y ${y0} set atom 37 y 1.80821938893861 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.8845204738681 variable y0 equal ${yi} variable y0 equal 1.04688491414817 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.89080204048797 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 0.962413962591011 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 932 -2.9871562 -1.9771175 -1.9451163 933 -2.9871562 -1.9771175 -1.9967227 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -1.99672271522063 variable naccept equal ${increment} variable naccept equal 280 next iter jump SELF loop variable i equal ${irandom} variable i equal 63 variable x0 equal ${xi} variable x0 equal 0.987933591205408 variable y0 equal ${yi} variable y0 equal 5.5415678853293 set atom $i x ${xnew} set atom 63 x ${xnew} set atom 63 x 0.947012272674372 1 settings made for x set atom $i y ${ynew} set atom 63 y ${ynew} set atom 63 y 5.55154130404192 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 933 -2.9871562 -1.9967227 -1.9967227 934 -2.9871562 -1.9967227 -1.9831504 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 63 x ${x0} set atom 63 x 0.987933591205408 1 settings made for x set atom $i y ${y0} set atom 63 y ${y0} set atom 63 y 5.5415678853293 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.1799755902961 variable y0 equal ${yi} variable y0 equal 6.56346605555049 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 9.16654193121941 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.51635446087352 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 934 -2.9871562 -1.9967227 -1.9831504 935 -2.9871562 -1.9967227 -2.0008559 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.00085594255312 variable naccept equal ${increment} variable naccept equal 281 next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.16921079794274 variable y0 equal ${yi} variable y0 equal 1.86157575032777 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.20431806484566 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.82038443467683 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 935 -2.9871562 -2.0008559 -2.0008559 936 -2.9871562 -2.0008559 -1.9840353 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.16921079794274 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.86157575032777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.68808116793414 variable y0 equal ${yi} variable y0 equal 6.45315314070217 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.64526860594531 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.41764770285122 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 936 -2.9871562 -2.0008559 -1.9840353 937 -2.9871562 -2.0008559 -1.9820762 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.68808116793414 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.45315314070217 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 86 variable x0 equal ${xi} variable x0 equal 2.76742996175719 variable y0 equal ${yi} variable y0 equal 8.37876136220989 set atom $i x ${xnew} set atom 86 x ${xnew} set atom 86 x 2.73339517314864 1 settings made for x set atom $i y ${ynew} set atom 86 y ${ynew} set atom 86 y 8.40177918590603 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 937 -2.9871562 -2.0008559 -1.9820762 938 -2.9871562 -2.0008559 -2.0097745 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.0097744768316 variable naccept equal ${increment} variable naccept equal 282 next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.1789412740728 variable y0 equal ${yi} variable y0 equal 2.78276804658273 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.1817926649114 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.88217049809793 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 938 -2.9871562 -2.0097745 -2.0097745 939 -2.9871562 -2.0097745 -1.9986705 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.1789412740728 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.78276804658273 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.34766563891488 variable y0 equal ${yi} variable y0 equal 0.0114601254463231 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.36779002665597 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y 0.0310999035835302 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 939 -2.9871562 -2.0097745 -1.9986705 940 -2.9871562 -2.0097745 -2.0105193 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.01051930844619 variable naccept equal ${increment} variable naccept equal 283 next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.64328949609225 variable y0 equal ${yi} variable y0 equal 7.40728055563236 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.62844499507372 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.39608570661808 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 940 -2.9871562 -2.0105193 -2.0105193 941 -2.9871562 -2.0105193 -2.0066773 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 97 x ${x0} set atom 97 x 8.64328949609225 1 settings made for x set atom $i y ${y0} set atom 97 y ${y0} set atom 97 y 7.40728055563236 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.78193971434718 variable y0 equal ${yi} variable y0 equal 8.31736352361736 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.84608986893779 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.27020299352703 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 941 -2.9871562 -2.0105193 -2.0066773 942 -2.9871562 -2.0105193 -1.9758708 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.78193971434718 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.31736352361736 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.11236243842937 variable y0 equal ${yi} variable y0 equal 8.24853718198832 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.10710121988155 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.30234856523569 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 942 -2.9871562 -2.0105193 -1.9758708 943 -2.9871562 -2.0105193 -2.0096438 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.11236243842937 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.24853718198832 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.31064851680662 variable y0 equal ${yi} variable y0 equal 1.91864991567201 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.25247627893354 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.84631522080964 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 943 -2.9871562 -2.0105193 -2.0096438 944 -2.9871562 -2.0105193 -1.9487119 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 31 x ${x0} set atom 31 x 5.31064851680662 1 settings made for x set atom $i y ${y0} set atom 31 y ${y0} set atom 31 y 1.91864991567201 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 23 variable x0 equal ${xi} variable x0 equal 1.07676643450909 variable y0 equal ${yi} variable y0 equal 1.85376013896531 set atom $i x ${xnew} set atom 23 x ${xnew} set atom 23 x 0.989978400070003 1 settings made for x set atom $i y ${ynew} set atom 23 y ${ynew} set atom 23 y 1.847405151344 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 944 -2.9871562 -2.0105193 -1.9487119 945 -2.9871562 -2.0105193 -1.9554443 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 23 x ${x0} set atom 23 x 1.07676643450909 1 settings made for x set atom $i y ${y0} set atom 23 y ${y0} set atom 23 y 1.85376013896531 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.43885856071379 variable y0 equal ${yi} variable y0 equal 5.558475553443 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.45408050218489 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.46100592558579 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 945 -2.9871562 -2.0105193 -1.9554443 946 -2.9871562 -2.0105193 -1.9989917 Loop time of 4.31538e-05 on 1 procs for 1 steps with 100 atoms 2317.3% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.43885856071379 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.558475553443 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 50 variable x0 equal ${xi} variable x0 equal 4.95269535421668 variable y0 equal ${yi} variable y0 equal 4.50253551358148 set atom $i x ${xnew} set atom 50 x ${xnew} set atom 50 x 5.04309845804511 1 settings made for x set atom $i y ${ynew} set atom 50 y ${ynew} set atom 50 y 4.52357330674096 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 946 -2.9871562 -2.0105193 -1.9989917 947 -2.9871562 -2.0105193 -1.957661 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 50 x ${x0} set atom 50 x 4.95269535421668 1 settings made for x set atom $i y ${y0} set atom 50 y ${y0} set atom 50 y 4.50253551358148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.9899615760564 variable y0 equal ${yi} variable y0 equal 4.5907792245762 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 5.98771724660389 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.55275007838174 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 947 -2.9871562 -2.0105193 -1.957661 948 -2.9871562 -2.0105193 -1.9934779 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 5.9899615760564 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.5907792245762 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 3 variable x0 equal ${xi} variable x0 equal 0.926390245754054 variable y0 equal ${yi} variable y0 equal 9.23904097783893 set atom $i x ${xnew} set atom 3 x ${xnew} set atom 3 x 0.871991947490504 1 settings made for x set atom $i y ${ynew} set atom 3 y ${ynew} set atom 3 y 9.14019599664539 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 948 -2.9871562 -2.0105193 -1.9934779 949 -2.9871562 -2.0105193 -1.9527125 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 3 x ${x0} set atom 3 x 0.926390245754054 1 settings made for x set atom $i y ${y0} set atom 3 y ${y0} set atom 3 y 9.23904097783893 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.55546174207155 variable y0 equal ${yi} variable y0 equal 5.67337435429292 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.60061494269792 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.59898523037629 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 949 -2.9871562 -2.0105193 -1.9527125 950 -2.9871562 -2.0105193 -1.9184963 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.55546174207155 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.67337435429292 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.1610254410764 variable y0 equal ${yi} variable y0 equal 8.2609955064207 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.1866167191526 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.29240183748302 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 950 -2.9871562 -2.0105193 -1.9184963 951 -2.9871562 -2.0105193 -2.0075633 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 100 x ${x0} set atom 100 x 10.1610254410764 1 settings made for x set atom $i y ${y0} set atom 100 y ${y0} set atom 100 y 8.2609955064207 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.61125521540423 variable y0 equal ${yi} variable y0 equal 4.63791933411523 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.6141591179349 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.62077691906854 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 951 -2.9871562 -2.0105193 -2.0075633 952 -2.9871562 -2.0105193 -2.0055136 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.61125521540423 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.63791933411523 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.85786454001552 variable y0 equal ${yi} variable y0 equal 2.82388043376306 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.88968325177318 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.90741187306741 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 952 -2.9871562 -2.0105193 -2.0055136 953 -2.9871562 -2.0105193 -1.9155082 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.85786454001552 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.82388043376306 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.12744101880885 variable y0 equal ${yi} variable y0 equal 6.56631985441675 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 8.13395232557155 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.60246086851587 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 953 -2.9871562 -2.0105193 -1.9155082 954 -2.9871562 -2.0105193 -2.0009361 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 76 x ${x0} set atom 76 x 8.12744101880885 1 settings made for x set atom $i y ${y0} set atom 76 y ${y0} set atom 76 y 6.56631985441675 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 98 variable x0 equal ${xi} variable x0 equal 9.16308992821724 variable y0 equal ${yi} variable y0 equal 8.28462620891627 set atom $i x ${xnew} set atom 98 x ${xnew} set atom 98 x 9.09553720671684 1 settings made for x set atom $i y ${ynew} set atom 98 y ${ynew} set atom 98 y 8.19967361606654 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 954 -2.9871562 -2.0105193 -2.0009361 955 -2.9871562 -2.0105193 -1.95267 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 98 x ${x0} set atom 98 x 9.16308992821724 1 settings made for x set atom $i y ${y0} set atom 98 y ${y0} set atom 98 y 8.28462620891627 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.89080204048797 variable y0 equal ${yi} variable y0 equal 0.962413962591011 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.91170749941513 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 1.04060622047218 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 955 -2.9871562 -2.0105193 -1.95267 956 -2.9871562 -2.0105193 -1.981478 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.89080204048797 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 0.962413962591011 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 75 variable x0 equal ${xi} variable x0 equal 7.43141517479192 variable y0 equal ${yi} variable y0 equal 5.56478210632998 set atom $i x ${xnew} set atom 75 x ${xnew} set atom 75 x 7.45180635292302 1 settings made for x set atom $i y ${ynew} set atom 75 y ${ynew} set atom 75 y 5.48564268295962 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 956 -2.9871562 -2.0105193 -1.981478 957 -2.9871562 -2.0105193 -1.9913186 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 75 x ${x0} set atom 75 x 7.43141517479192 1 settings made for x set atom $i y ${y0} set atom 75 y ${y0} set atom 75 y 5.56478210632998 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.55546174207155 variable y0 equal ${yi} variable y0 equal 5.67337435429292 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.54711809316103 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.64299418871599 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 957 -2.9871562 -2.0105193 -1.9913186 958 -2.9871562 -2.0105193 -2.0054764 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.55546174207155 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.67337435429292 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.3118768103859 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.48518830483157 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 958 -2.9871562 -2.0105193 -2.0054764 959 -2.9871562 -2.0105193 -2.0016175 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.41471889097901 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.61577713434894 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 959 -2.9871562 -2.0105193 -2.0016175 960 -2.9871562 -2.0105193 -1.9839583 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.1610254410764 variable y0 equal ${yi} variable y0 equal 8.2609955064207 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.1767694000264 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.21905875124034 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 960 -2.9871562 -2.0105193 -1.9839583 961 -2.9871562 -2.0105193 -2.0029981 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 100 x ${x0} set atom 100 x 10.1610254410764 1 settings made for x set atom $i y ${y0} set atom 100 y ${y0} set atom 100 y 8.2609955064207 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.31808795690099 variable y0 equal ${yi} variable y0 equal 5.6091846699019 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.40796824454824 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.68428611700731 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 961 -2.9871562 -2.0105193 -2.0029981 962 -2.9871562 -2.0105193 -1.96177 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 67 x ${x0} set atom 67 x 3.31808795690099 1 settings made for x set atom $i y ${y0} set atom 67 y ${y0} set atom 67 y 5.6091846699019 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.67562869985534 variable y0 equal ${yi} variable y0 equal 0.952592285383071 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.74599224527313 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 1.03324409316811 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 962 -2.9871562 -2.0105193 -1.96177 963 -2.9871562 -2.0105193 -1.9898852 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 6 x ${x0} set atom 6 x 2.67562869985534 1 settings made for x set atom $i y ${y0} set atom 6 y ${y0} set atom 6 y 0.952592285383071 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.54407576480333 variable y0 equal ${yi} variable y0 equal 3.66106940074097 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.49197681107942 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.56451725525986 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 963 -2.9871562 -2.0105193 -1.9898852 964 -2.9871562 -2.0105193 -1.9969219 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.54407576480333 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.66106940074097 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.64328949609225 variable y0 equal ${yi} variable y0 equal 7.40728055563236 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.5584432379288 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.33544211712146 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 964 -2.9871562 -2.0105193 -1.9969219 965 -2.9871562 -2.0105193 -1.9239203 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 97 x ${x0} set atom 97 x 8.64328949609225 1 settings made for x set atom $i y ${y0} set atom 97 y ${y0} set atom 97 y 7.40728055563236 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.16921079794274 variable y0 equal ${yi} variable y0 equal 1.86157575032777 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.22802682558404 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.86245326182908 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 965 -2.9871562 -2.0105193 -1.9239203 966 -2.9871562 -2.0105193 -1.9950277 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.16921079794274 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.86157575032777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 36 variable x0 equal ${xi} variable x0 equal 8.03611046670772 variable y0 equal ${yi} variable y0 equal 2.66520280810693 set atom $i x ${xnew} set atom 36 x ${xnew} set atom 36 x 8.09307445882656 1 settings made for x set atom $i y ${ynew} set atom 36 y ${ynew} set atom 36 y 2.61020187112191 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 966 -2.9871562 -2.0105193 -1.9950277 967 -2.9871562 -2.0105193 -1.9468985 Loop time of 8.01086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 36 x ${x0} set atom 36 x 8.03611046670772 1 settings made for x set atom $i y ${y0} set atom 36 y ${y0} set atom 36 y 2.66520280810693 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.78193971434718 variable y0 equal ${yi} variable y0 equal 8.31736352361736 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.87311658183223 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.271596025601 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 967 -2.9871562 -2.0105193 -1.9468985 968 -2.9871562 -2.0105193 -1.9475407 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.78193971434718 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.31736352361736 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 79 variable x0 equal ${xi} variable x0 equal 9.71175088165876 variable y0 equal ${yi} variable y0 equal 5.71374509279924 set atom $i x ${xnew} set atom 79 x ${xnew} set atom 79 x 9.68903712509748 1 settings made for x set atom $i y ${ynew} set atom 79 y ${ynew} set atom 79 y 5.63455642407136 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 968 -2.9871562 -2.0105193 -1.9475407 969 -2.9871562 -2.0105193 -1.977876 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 79 x ${x0} set atom 79 x 9.71175088165876 1 settings made for x set atom $i y ${y0} set atom 79 y ${y0} set atom 79 y 5.71374509279924 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.77716802000341 variable y0 equal ${yi} variable y0 equal 8.29469001211223 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.6803130233222 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.20836156524715 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 969 -2.9871562 -2.0105193 -1.977876 970 -2.9871562 -2.0105193 -1.857719 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.77716802000341 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.29469001211223 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.15771750847207 variable y0 equal ${yi} variable y0 equal 7.45649659958148 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.10840386787759 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.42985259619021 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 970 -2.9871562 -2.0105193 -1.857719 971 -2.9871562 -2.0105193 -2.0080662 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.15771750847207 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.45649659958148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.67562869985534 variable y0 equal ${yi} variable y0 equal 0.952592285383071 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.69106418092681 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 0.920749815214004 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 971 -2.9871562 -2.0105193 -2.0080662 972 -2.9871562 -2.0105193 -2.0111912 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.01119119691954 variable naccept equal ${increment} variable naccept equal 284 next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.15771750847207 variable y0 equal ${yi} variable y0 equal 7.45649659958148 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.07640002409326 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.45957515564227 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 972 -2.9871562 -2.0111912 -2.0111912 973 -2.9871562 -2.0111912 -1.9976884 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.15771750847207 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.45649659958148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.66311051726122 variable y0 equal ${yi} variable y0 equal 2.84872870417932 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.69490927338381 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.90885456773141 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 973 -2.9871562 -2.0111912 -1.9976884 974 -2.9871562 -2.0111912 -1.9844613 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 24 x ${x0} set atom 24 x 1.66311051726122 1 settings made for x set atom $i y ${y0} set atom 24 y ${y0} set atom 24 y 2.84872870417932 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.0809653671568 variable y0 equal ${yi} variable y0 equal 7.46382458534503 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.08855005820447 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.51366689529681 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 974 -2.9871562 -2.0111912 -1.9844613 975 -2.9871562 -2.0111912 -2.0063313 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.0809653671568 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.46382458534503 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.82787996728849 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.67938236349984 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 975 -2.9871562 -2.0111912 -2.0063313 976 -2.9871562 -2.0111912 -1.9781597 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.1610254410764 variable y0 equal ${yi} variable y0 equal 8.2609955064207 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.1895380620023 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.21165978826579 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 976 -2.9871562 -2.0111912 -1.9781597 977 -2.9871562 -2.0111912 -2.0007475 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 100 x ${x0} set atom 100 x 10.1610254410764 1 settings made for x set atom $i y ${y0} set atom 100 y ${y0} set atom 100 y 8.2609955064207 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 49 variable x0 equal ${xi} variable x0 equal 4.29979468662949 variable y0 equal ${yi} variable y0 equal 3.68506254716051 set atom $i x ${xnew} set atom 49 x ${xnew} set atom 49 x 4.28454213221283 1 settings made for x set atom $i y ${ynew} set atom 49 y ${ynew} set atom 49 y 3.67393827004564 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 977 -2.9871562 -2.0111912 -2.0007475 978 -2.9871562 -2.0111912 -2.0026169 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 49 x ${x0} set atom 49 x 4.29979468662949 1 settings made for x set atom $i y ${y0} set atom 49 y ${y0} set atom 49 y 3.68506254716051 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.40123975673582 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y 0.0143717408180212 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 978 -2.9871562 -2.0111912 -2.0026169 979 -2.9871562 -2.0111912 -1.9976201 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.64134974360247 variable y0 equal ${yi} variable y0 equal 0.972303231466143 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.61369351029177 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.934760852563708 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 979 -2.9871562 -2.0111912 -1.9976201 980 -2.9871562 -2.0111912 -2.0103029 Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms 2383.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.64134974360247 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.972303231466143 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.87741336464225 variable y0 equal ${yi} variable y0 equal 6.4556893421792 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.93757978319465 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.49856401220789 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 980 -2.9871562 -2.0111912 -2.0103029 981 -2.9871562 -2.0111912 -2.0015759 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.87741336464225 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.4556893421792 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.6009229858571 variable y0 equal ${yi} variable y0 equal 9.18416120517581 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.5994419654065 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 9.28280647504657 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 981 -2.9871562 -2.0111912 -2.0015759 982 -2.9871562 -2.0111912 -2.0037555 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 1 x ${x0} set atom 1 x 10.6009229858571 1 settings made for x set atom $i y ${y0} set atom 1 y ${y0} set atom 1 y 9.18416120517581 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.76206280509119 variable y0 equal ${yi} variable y0 equal 4.61360334509775 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.73812462607508 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.6841193711178 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 982 -2.9871562 -2.0111912 -2.0037555 983 -2.9871562 -2.0111912 -2.0029308 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.76206280509119 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.61360334509775 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.50235789218808 variable y0 equal ${yi} variable y0 equal 3.73372400565278 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.50922893682385 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.69054728312623 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 983 -2.9871562 -2.0111912 -2.0029308 984 -2.9871562 -2.0111912 -2.0055099 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 51 x ${x0} set atom 51 x 5.50235789218808 1 settings made for x set atom $i y ${y0} set atom 51 y ${y0} set atom 51 y 3.73372400565278 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.61125521540423 variable y0 equal ${yi} variable y0 equal 4.63791933411523 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.59001860499163 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.68076303357049 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 984 -2.9871562 -2.0111912 -2.0055099 985 -2.9871562 -2.0111912 -2.0153969 Loop time of 4.31538e-05 on 1 procs for 1 steps with 100 atoms 2317.3% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.01539686685533 variable naccept equal ${increment} variable naccept equal 285 next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.46753388483297 variable y0 equal ${yi} variable y0 equal 0.0335806965827942 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.38220358927023 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y 0.0202989220619202 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 985 -2.9871562 -2.0153969 -2.0153969 986 -2.9871562 -2.0153969 -1.9993034 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.46753388483297 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.0335806965827942 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.46753388483297 variable y0 equal ${yi} variable y0 equal 0.0335806965827942 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.45040792066824 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y 0.116819703578949 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 986 -2.9871562 -2.0153969 -1.9993034 987 -2.9871562 -2.0153969 -1.9929077 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.46753388483297 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.0335806965827942 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.16654193121941 variable y0 equal ${yi} variable y0 equal 6.51635446087352 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 9.07657171208412 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.59827667013637 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 987 -2.9871562 -2.0153969 -1.9929077 988 -2.9871562 -2.0153969 -1.9564206 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 78 x ${x0} set atom 78 x 9.16654193121941 1 settings made for x set atom $i y ${y0} set atom 78 y ${y0} set atom 78 y 6.51635446087352 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.545649071136379 variable y0 equal ${yi} variable y0 equal 2.77431966039041 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.454765839973354 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.70701327296594 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 988 -2.9871562 -2.0153969 -1.9564206 989 -2.9871562 -2.0153969 -1.9472217 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.545649071136379 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.77431966039041 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.76206280509119 variable y0 equal ${yi} variable y0 equal 4.61360334509775 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.68405063668375 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.54020746106073 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 989 -2.9871562 -2.0153969 -1.9472217 990 -2.9871562 -2.0153969 -1.9408568 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2436.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.76206280509119 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.61360334509775 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 75 variable x0 equal ${xi} variable x0 equal 7.43141517479192 variable y0 equal ${yi} variable y0 equal 5.56478210632998 set atom $i x ${xnew} set atom 75 x ${xnew} set atom 75 x 7.51190109092961 1 settings made for x set atom $i y ${ynew} set atom 75 y ${ynew} set atom 75 y 5.64376431648928 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 990 -2.9871562 -2.0153969 -1.9408568 991 -2.9871562 -2.0153969 -2.0182852 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.01828519388715 variable naccept equal ${increment} variable naccept equal 286 next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.33299971897813 variable y0 equal ${yi} variable y0 equal 1.87642453095979 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.37249472220155 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.93929486653871 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 991 -2.9871562 -2.0182852 -2.0182852 992 -2.9871562 -2.0182852 -2.0061118 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.33299971897813 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.87642453095979 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.76206280509119 variable y0 equal ${yi} variable y0 equal 4.61360334509775 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.71444997111444 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.53325893038675 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 992 -2.9871562 -2.0182852 -2.0061118 993 -2.9871562 -2.0182852 -1.9639339 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.76206280509119 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.61360334509775 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 35 variable x0 equal ${xi} variable x0 equal 7.37088978130592 variable y0 equal ${yi} variable y0 equal 1.86757599494523 set atom $i x ${xnew} set atom 35 x ${xnew} set atom 35 x 7.28835247595085 1 settings made for x set atom $i y ${ynew} set atom 35 y ${ynew} set atom 35 y 1.93444654128617 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 993 -2.9871562 -2.0182852 -1.9639339 994 -2.9871562 -2.0182852 -1.9307029 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 35 x ${x0} set atom 35 x 7.37088978130592 1 settings made for x set atom $i y ${y0} set atom 35 y ${y0} set atom 35 y 1.86757599494523 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.16921079794274 variable y0 equal ${yi} variable y0 equal 1.86157575032777 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.23430073896752 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.88538163087434 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 994 -2.9871562 -2.0182852 -1.9307029 995 -2.9871562 -2.0182852 -2.0014678 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.16921079794274 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.86157575032777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.07315314093276 variable y0 equal ${yi} variable y0 equal 4.61574550026819 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.01321409025832 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.53823720568582 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 995 -2.9871562 -2.0182852 -2.0014678 996 -2.9871562 -2.0182852 -1.9856193 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.07315314093276 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.61574550026819 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.14132251460106 variable y0 equal ${yi} variable y0 equal 4.91687022799417 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.12651166636497 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.91072322482034 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 996 -2.9871562 -2.0182852 -1.9856193 997 -2.9871562 -2.0182852 -2.0203928 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.02039275958247 variable naccept equal ${increment} variable naccept equal 287 next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.1148146752378 variable y0 equal ${yi} variable y0 equal 4.54698911065027 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.0525232318899 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.52837975377008 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 997 -2.9871562 -2.0203928 -2.0203928 998 -2.9871562 -2.0203928 -2.0028725 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 60 x ${x0} set atom 60 x 10.1148146752378 1 settings made for x set atom $i y ${y0} set atom 60 y ${y0} set atom 60 y 4.54698911065027 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.12744101880885 variable y0 equal ${yi} variable y0 equal 6.56631985441675 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 8.14934177993632 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.48619654909601 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 998 -2.9871562 -2.0203928 -2.0028725 999 -2.9871562 -2.0203928 -1.9762711 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 76 x ${x0} set atom 76 x 8.12744101880885 1 settings made for x set atom $i y ${y0} set atom 76 y ${y0} set atom 76 y 6.56631985441675 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 38 variable x0 equal ${xi} variable x0 equal 9.17293971497565 variable y0 equal ${yi} variable y0 equal 2.77695646258691 set atom $i x ${xnew} set atom 38 x ${xnew} set atom 38 x 9.18323485571891 1 settings made for x set atom $i y ${ynew} set atom 38 y ${ynew} set atom 38 y 2.84362585517266 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 999 -2.9871562 -2.0203928 -1.9762711 1000 -2.9871562 -2.0203928 -1.9835827 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 38 x ${x0} set atom 38 x 9.17293971497565 1 settings made for x set atom $i y ${y0} set atom 38 y ${y0} set atom 38 y 2.77695646258691 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.83310471732608 variable y0 equal ${yi} variable y0 equal 8.3484317771345 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.85192655284396 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.2920795909315 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1000 -2.9871562 -2.0203928 -1.9835827 1001 -2.9871562 -2.0203928 -1.9943288 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.83310471732608 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.3484317771345 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.1610254410764 variable y0 equal ${yi} variable y0 equal 8.2609955064207 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.1997180942556 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.34496824659404 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1001 -2.9871562 -2.0203928 -1.9943288 1002 -2.9871562 -2.0203928 -1.9908438 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 100 x ${x0} set atom 100 x 10.1610254410764 1 settings made for x set atom $i y ${y0} set atom 100 y ${y0} set atom 100 y 8.2609955064207 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.12651166636497 variable y0 equal ${yi} variable y0 equal 4.91072322482034 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.08689599949867 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.81755102032586 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1002 -2.9871562 -2.0203928 -1.9908438 1003 -2.9871562 -2.0203928 -2.0462053 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.0462052611432 variable naccept equal ${increment} variable naccept equal 288 next iter jump SELF loop variable i equal ${irandom} variable i equal 3 variable x0 equal ${xi} variable x0 equal 0.926390245754054 variable y0 equal ${yi} variable y0 equal 9.23904097783893 set atom $i x ${xnew} set atom 3 x ${xnew} set atom 3 x 0.874914744693568 1 settings made for x set atom $i y ${ynew} set atom 3 y ${ynew} set atom 3 y 9.21546940315097 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1003 -2.9871562 -2.0462053 -2.0462053 1004 -2.9871562 -2.0462053 -2.0318441 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 3 x ${x0} set atom 3 x 0.926390245754054 1 settings made for x set atom $i y ${y0} set atom 3 y ${y0} set atom 3 y 9.23904097783893 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.87741336464225 variable y0 equal ${yi} variable y0 equal 6.4556893421792 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.87644710182487 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.36425277725687 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1004 -2.9871562 -2.0462053 -2.0318441 1005 -2.9871562 -2.0462053 -2.0209287 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.87741336464225 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.4556893421792 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.66311051726122 variable y0 equal ${yi} variable y0 equal 2.84872870417932 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.68909932255526 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.76107822629312 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1005 -2.9871562 -2.0462053 -2.0209287 1006 -2.9871562 -2.0462053 -2.0383307 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 24 x ${x0} set atom 24 x 1.66311051726122 1 settings made for x set atom $i y ${y0} set atom 24 y ${y0} set atom 24 y 2.84872870417932 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.64328949609225 variable y0 equal ${yi} variable y0 equal 7.40728055563236 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.63759555974429 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.39139666881824 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1006 -2.9871562 -2.0462053 -2.0383307 1007 -2.9871562 -2.0462053 -2.0435715 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 97 x ${x0} set atom 97 x 8.64328949609225 1 settings made for x set atom $i y ${y0} set atom 97 y ${y0} set atom 97 y 7.40728055563236 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 50 variable x0 equal ${xi} variable x0 equal 4.95269535421668 variable y0 equal ${yi} variable y0 equal 4.50253551358148 set atom $i x ${xnew} set atom 50 x ${xnew} set atom 50 x 4.97187389969169 1 settings made for x set atom $i y ${ynew} set atom 50 y ${ynew} set atom 50 y 4.50596614235803 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1007 -2.9871562 -2.0462053 -2.0435715 1008 -2.9871562 -2.0462053 -2.0388376 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 50 x ${x0} set atom 50 x 4.95269535421668 1 settings made for x set atom $i y ${y0} set atom 50 y ${y0} set atom 50 y 4.50253551358148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.545649071136379 variable y0 equal ${yi} variable y0 equal 2.77431966039041 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.614764948287868 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.86428352567056 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1008 -2.9871562 -2.0462053 -2.0388376 1009 -2.9871562 -2.0462053 -2.0376496 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.545649071136379 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.77431966039041 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.16921079794274 variable y0 equal ${yi} variable y0 equal 1.86157575032777 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.23062159458504 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.87301285646028 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1009 -2.9871562 -2.0462053 -2.0376496 1010 -2.9871562 -2.0462053 -2.0317141 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.16921079794274 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.86157575032777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.8951647126609 variable y0 equal ${yi} variable y0 equal 2.85868977280953 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 4.94066793560325 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.92621511193612 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1010 -2.9871562 -2.0462053 -2.0317141 1011 -2.9871562 -2.0462053 -2.0197418 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 30 x ${x0} set atom 30 x 4.8951647126609 1 settings made for x set atom $i y ${y0} set atom 30 y ${y0} set atom 30 y 2.85868977280953 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.6009229858571 variable y0 equal ${yi} variable y0 equal 9.18416120517581 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.6484374483281 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 9.18040676820605 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1011 -2.9871562 -2.0462053 -2.0197418 1012 -2.9871562 -2.0462053 -2.0408073 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 1 x ${x0} set atom 1 x 10.6009229858571 1 settings made for x set atom $i y ${y0} set atom 1 y ${y0} set atom 1 y 9.18416120517581 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.0809653671568 variable y0 equal ${yi} variable y0 equal 7.46382458534503 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.08722542842084 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.37323065128589 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1012 -2.9871562 -2.0462053 -2.0408073 1013 -2.9871562 -2.0462053 -2.0273178 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.0809653671568 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.46382458534503 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.51275517780553 variable y0 equal ${yi} variable y0 equal 3.68194531960619 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.57453483183156 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.78015425963533 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1013 -2.9871562 -2.0462053 -2.0273178 1014 -2.9871562 -2.0462053 -2.0337976 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 55 x ${x0} set atom 55 x 7.51275517780553 1 settings made for x set atom $i y ${y0} set atom 55 y ${y0} set atom 55 y 3.68194531960619 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.6009229858571 variable y0 equal ${yi} variable y0 equal 9.18416120517581 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.694946010893 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 9.27294996488421 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1014 -2.9871562 -2.0462053 -2.0337976 1015 -2.9871562 -2.0462053 -2.0335136 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 1 x ${x0} set atom 1 x 10.6009229858571 1 settings made for x set atom $i y ${y0} set atom 1 y ${y0} set atom 1 y 9.18416120517581 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 42 variable x0 equal ${xi} variable x0 equal 0.463221640983487 variable y0 equal ${yi} variable y0 equal 4.61717816943094 set atom $i x ${xnew} set atom 42 x ${xnew} set atom 42 x 0.375024362007047 1 settings made for x set atom $i y ${ynew} set atom 42 y ${ynew} set atom 42 y 4.59845900887415 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1015 -2.9871562 -2.0462053 -2.0335136 1016 -2.9871562 -2.0462053 -2.0157614 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 42 x ${x0} set atom 42 x 0.463221640983487 1 settings made for x set atom $i y ${y0} set atom 42 y ${y0} set atom 42 y 4.61717816943094 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.65425684650373 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.61223061436578 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1016 -2.9871562 -2.0462053 -2.0157614 1017 -2.9871562 -2.0462053 -2.0275836 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 63 variable x0 equal ${xi} variable x0 equal 0.987933591205408 variable y0 equal ${yi} variable y0 equal 5.5415678853293 set atom $i x ${xnew} set atom 63 x ${xnew} set atom 63 x 0.918518808681299 1 settings made for x set atom $i y ${ynew} set atom 63 y ${ynew} set atom 63 y 5.53309304659563 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1017 -2.9871562 -2.0462053 -2.0275836 1018 -2.9871562 -2.0462053 -2.0249421 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 63 x ${x0} set atom 63 x 0.987933591205408 1 settings made for x set atom $i y ${y0} set atom 63 y ${y0} set atom 63 y 5.5415678853293 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.36779002665597 variable y0 equal ${yi} variable y0 equal 0.0310999035835302 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.40156468867379 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y 0.00304889678955437 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1018 -2.9871562 -2.0462053 -2.0249421 1019 -2.9871562 -2.0462053 -2.047132 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.04713204179555 variable naccept equal ${increment} variable naccept equal 289 next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.79055209358168 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.69179975146218 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1019 -2.9871562 -2.047132 -2.047132 1020 -2.9871562 -2.047132 -2.0357332 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.83310471732608 variable y0 equal ${yi} variable y0 equal 8.3484317771345 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.83711441714755 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.26126304782923 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1020 -2.9871562 -2.047132 -2.0357332 1021 -2.9871562 -2.047132 -1.9942867 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.83310471732608 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.3484317771345 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 23 variable x0 equal ${xi} variable x0 equal 1.07676643450909 variable y0 equal ${yi} variable y0 equal 1.85376013896531 set atom $i x ${xnew} set atom 23 x ${xnew} set atom 23 x 1.07343188841992 1 settings made for x set atom $i y ${ynew} set atom 23 y ${ynew} set atom 23 y 1.85961672446793 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1021 -2.9871562 -2.047132 -1.9942867 1022 -2.9871562 -2.047132 -2.0478716 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.04787158397693 variable naccept equal ${increment} variable naccept equal 290 next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.15771750847207 variable y0 equal ${yi} variable y0 equal 7.45649659958148 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.19986015001641 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.49672150936389 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1022 -2.9871562 -2.0478716 -2.0478716 1023 -2.9871562 -2.0478716 -2.0376314 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.15771750847207 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.45649659958148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.31808795690099 variable y0 equal ${yi} variable y0 equal 5.6091846699019 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.21882955789129 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.57611442749696 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1023 -2.9871562 -2.0478716 -2.0376314 1024 -2.9871562 -2.0478716 -2.0388421 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 67 x ${x0} set atom 67 x 3.31808795690099 1 settings made for x set atom $i y ${y0} set atom 67 y ${y0} set atom 67 y 5.6091846699019 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.609000296989348 variable y0 equal ${yi} variable y0 equal 0.984621043908919 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.570630665222075 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.909747691858138 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1024 -2.9871562 -2.0478716 -2.0388421 1025 -2.9871562 -2.0478716 -2.0572344 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.05723441696553 variable naccept equal ${increment} variable naccept equal 291 next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.89360781310894 variable y0 equal ${yi} variable y0 equal 0.970815511453479 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.8691863238702 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 0.954155464876025 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1025 -2.9871562 -2.0572344 -2.0572344 1026 -2.9871562 -2.0572344 -2.0505089 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.89360781310894 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.970815511453479 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 10.6911063273601 variable y0 equal ${yi} variable y0 equal 5.45732250158982 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 10.6307479341678 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.36707913820939 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1026 -2.9871562 -2.0572344 -2.0505089 1027 -2.9871562 -2.0572344 -2.0198677 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 61 x ${x0} set atom 61 x 10.6911063273601 1 settings made for x set atom $i y ${y0} set atom 61 y ${y0} set atom 61 y 5.45732250158982 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.76206280509119 variable y0 equal ${yi} variable y0 equal 4.61360334509775 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.68035457650309 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.62961436861917 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1027 -2.9871562 -2.0572344 -2.0198677 1028 -2.9871562 -2.0572344 -2.0194242 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.76206280509119 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.61360334509775 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.0809653671568 variable y0 equal ${yi} variable y0 equal 7.46382458534503 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.11815181096249 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.44427507248187 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1028 -2.9871562 -2.0572344 -2.0194242 1029 -2.9871562 -2.0572344 -2.0574394 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.05743935608187 variable naccept equal ${increment} variable naccept equal 292 next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.79614609995967 variable y0 equal ${yi} variable y0 equal 6.5482283546113 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.80623258868343 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.50073292986383 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1029 -2.9871562 -2.0574394 -2.0574394 1030 -2.9871562 -2.0574394 -2.05975 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.05975000669786 variable naccept equal ${increment} variable naccept equal 293 next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.85786454001552 variable y0 equal ${yi} variable y0 equal 2.82388043376306 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.90687113324291 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.91485160561899 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1030 -2.9871562 -2.05975 -2.05975 1031 -2.9871562 -2.05975 -1.9280184 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.85786454001552 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.82388043376306 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 33 variable x0 equal ${xi} variable x0 equal 6.40621244429666 variable y0 equal ${yi} variable y0 equal 2.0462150373227 set atom $i x ${xnew} set atom 33 x ${xnew} set atom 33 x 6.4458763790043 1 settings made for x set atom $i y ${ynew} set atom 33 y ${ynew} set atom 33 y 2.00422748706406 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1031 -2.9871562 -2.05975 -1.9280184 1032 -2.9871562 -2.05975 -2.060616 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.06061602406225 variable naccept equal ${increment} variable naccept equal 294 next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.16654193121941 variable y0 equal ${yi} variable y0 equal 6.51635446087352 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 9.20481869895012 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.59897087351314 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1032 -2.9871562 -2.060616 -2.060616 1033 -2.9871562 -2.060616 -2.0318231 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 78 x ${x0} set atom 78 x 9.16654193121941 1 settings made for x set atom $i y ${y0} set atom 78 y ${y0} set atom 78 y 6.51635446087352 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.89080204048797 variable y0 equal ${yi} variable y0 equal 0.962413962591011 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.84295815506622 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 0.897591026532967 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1033 -2.9871562 -2.060616 -2.0318231 1034 -2.9871562 -2.060616 -2.0581496 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.89080204048797 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 0.962413962591011 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.11815181096249 variable y0 equal ${yi} variable y0 equal 7.44427507248187 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.05003204663449 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.36549614992404 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1034 -2.9871562 -2.060616 -2.0581496 1035 -2.9871562 -2.060616 -2.0246971 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.11815181096249 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.44427507248187 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.89360781310894 variable y0 equal ${yi} variable y0 equal 0.970815511453479 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.94788476823666 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 0.961742587793201 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1035 -2.9871562 -2.060616 -2.0246971 1036 -2.9871562 -2.060616 -2.059647 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.89360781310894 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.970815511453479 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.64134974360247 variable y0 equal ${yi} variable y0 equal 0.972303231466143 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.73805127024432 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 1.00847537111077 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1036 -2.9871562 -2.060616 -2.059647 1037 -2.9871562 -2.060616 -2.0159369 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.64134974360247 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.972303231466143 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.9899615760564 variable y0 equal ${yi} variable y0 equal 4.5907792245762 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 6.06147515733234 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.5139977371113 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1037 -2.9871562 -2.060616 -2.0159369 1038 -2.9871562 -2.060616 -1.9831519 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 5.9899615760564 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.5907792245762 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 42 variable x0 equal ${xi} variable x0 equal 0.463221640983487 variable y0 equal ${yi} variable y0 equal 4.61717816943094 set atom $i x ${xnew} set atom 42 x ${xnew} set atom 42 x 0.497564132610227 1 settings made for x set atom $i y ${ynew} set atom 42 y ${ynew} set atom 42 y 4.54773588532373 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1038 -2.9871562 -2.060616 -1.9831519 1039 -2.9871562 -2.060616 -2.0577781 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 42 x ${x0} set atom 42 x 0.463221640983487 1 settings made for x set atom $i y ${y0} set atom 42 y ${y0} set atom 42 y 4.61717816943094 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.40103450218107 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y 0.00890159606933345 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1039 -2.9871562 -2.060616 -2.0577781 1040 -2.9871562 -2.060616 -2.0571266 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.55546174207155 variable y0 equal ${yi} variable y0 equal 5.67337435429292 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.59749107518617 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.74558139984804 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1040 -2.9871562 -2.060616 -2.0571266 1041 -2.9871562 -2.060616 -2.0275684 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.55546174207155 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.67337435429292 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.11236243842937 variable y0 equal ${yi} variable y0 equal 8.24853718198832 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.13868210910656 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.32543376602229 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1041 -2.9871562 -2.060616 -2.0275684 1042 -2.9871562 -2.060616 -2.0346531 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.11236243842937 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.24853718198832 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.64134974360247 variable y0 equal ${yi} variable y0 equal 0.972303231466143 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.64773430704851 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.951317544687121 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1042 -2.9871562 -2.060616 -2.0346531 1043 -2.9871562 -2.060616 -2.0600398 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.64134974360247 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.972303231466143 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.92934083898059 variable y0 equal ${yi} variable y0 equal 6.62002104059687 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 5.89192678887836 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.66022809282771 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1043 -2.9871562 -2.060616 -2.0600398 1044 -2.9871562 -2.060616 -2.0415873 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 72 x ${x0} set atom 72 x 5.92934083898059 1 settings made for x set atom $i y ${y0} set atom 72 y ${y0} set atom 72 y 6.62002104059687 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 62 variable x0 equal ${xi} variable x0 equal 0.69972850839224 variable y0 equal ${yi} variable y0 equal 6.49726980463495 set atom $i x ${xnew} set atom 62 x ${xnew} set atom 62 x 0.632409425178434 1 settings made for x set atom $i y ${ynew} set atom 62 y ${ynew} set atom 62 y 6.5492800547265 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1044 -2.9871562 -2.060616 -2.0415873 1045 -2.9871562 -2.060616 -2.058479 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 62 x ${x0} set atom 62 x 0.69972850839224 1 settings made for x set atom $i y ${y0} set atom 62 y ${y0} set atom 62 y 6.49726980463495 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.8951647126609 variable y0 equal ${yi} variable y0 equal 2.85868977280953 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 4.91249088882743 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.79413495036461 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1045 -2.9871562 -2.060616 -2.058479 1046 -2.9871562 -2.060616 -2.0462093 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 30 x ${x0} set atom 30 x 4.8951647126609 1 settings made for x set atom $i y ${y0} set atom 30 y ${y0} set atom 30 y 2.85868977280953 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.64328949609225 variable y0 equal ${yi} variable y0 equal 7.40728055563236 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.56881023803179 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.40570235576893 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1046 -2.9871562 -2.060616 -2.0462093 1047 -2.9871562 -2.060616 -2.034963 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 97 x ${x0} set atom 97 x 8.64328949609225 1 settings made for x set atom $i y ${y0} set atom 97 y ${y0} set atom 97 y 7.40728055563236 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 79 variable x0 equal ${xi} variable x0 equal 9.71175088165876 variable y0 equal ${yi} variable y0 equal 5.71374509279924 set atom $i x ${xnew} set atom 79 x ${xnew} set atom 79 x 9.6211267638075 1 settings made for x set atom $i y ${ynew} set atom 79 y ${ynew} set atom 79 y 5.72023855393129 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1047 -2.9871562 -2.060616 -2.034963 1048 -2.9871562 -2.060616 -2.0344003 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 79 x ${x0} set atom 79 x 9.71175088165876 1 settings made for x set atom $i y ${y0} set atom 79 y ${y0} set atom 79 y 5.71374509279924 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 93 variable x0 equal ${xi} variable x0 equal 6.37491369961817 variable y0 equal ${yi} variable y0 equal 7.49044490185045 set atom $i x ${xnew} set atom 93 x ${xnew} set atom 93 x 6.28340316533167 1 settings made for x set atom $i y ${ynew} set atom 93 y ${ynew} set atom 93 y 7.56771014061235 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1048 -2.9871562 -2.060616 -2.0344003 1049 -2.9871562 -2.060616 -1.9856256 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 93 x ${x0} set atom 93 x 6.37491369961817 1 settings made for x set atom $i y ${y0} set atom 93 y ${y0} set atom 93 y 7.49044490185045 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 33 variable x0 equal ${xi} variable x0 equal 6.4458763790043 variable y0 equal ${yi} variable y0 equal 2.00422748706406 set atom $i x ${xnew} set atom 33 x ${xnew} set atom 33 x 6.35099447487909 1 settings made for x set atom $i y ${ynew} set atom 33 y ${ynew} set atom 33 y 1.92307773015564 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1049 -2.9871562 -2.060616 -1.9856256 1050 -2.9871562 -2.060616 -2.1066346 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.10663455577807 variable naccept equal ${increment} variable naccept equal 295 next iter jump SELF loop variable i equal ${irandom} variable i equal 12 variable x0 equal ${xi} variable x0 equal 5.81250222880832 variable y0 equal ${yi} variable y0 equal 0.959874435174792 set atom $i x ${xnew} set atom 12 x ${xnew} set atom 12 x 5.89968223531238 1 settings made for x set atom $i y ${ynew} set atom 12 y ${ynew} set atom 12 y 0.886041899431079 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1050 -2.9871562 -2.1066346 -2.1066346 1051 -2.9871562 -2.1066346 -2.1148382 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.11483818501849 variable naccept equal ${increment} variable naccept equal 296 next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.40156468867379 variable y0 equal ${yi} variable y0 equal 0.00304889678955437 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.31255937336999 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y -0.0687830567359888 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1051 -2.9871562 -2.1148382 -2.1148382 1052 -2.9871562 -2.1148382 -2.1028406 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.40156468867379 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 0.00304889678955437 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 81 variable x0 equal ${xi} variable x0 equal 0.0322040319442937 variable y0 equal ${yi} variable y0 equal 7.38692112293505 set atom $i x ${xnew} set atom 81 x ${xnew} set atom 81 x -0.0662989377975276 1 settings made for x set atom $i y ${ynew} set atom 81 y ${ynew} set atom 81 y 7.45963280525469 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1052 -2.9871562 -2.1148382 -2.1028406 1053 -2.9871562 -2.1148382 -2.0199061 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 81 x ${x0} set atom 81 x 0.0322040319442937 1 settings made for x set atom $i y ${y0} set atom 81 y ${y0} set atom 81 y 7.38692112293505 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.31064851680662 variable y0 equal ${yi} variable y0 equal 1.91864991567201 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.26392925182249 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.98057111880845 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1053 -2.9871562 -2.1148382 -2.0199061 1054 -2.9871562 -2.1148382 -2.072926 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 31 x ${x0} set atom 31 x 5.31064851680662 1 settings made for x set atom $i y ${y0} set atom 31 y ${y0} set atom 31 y 1.91864991567201 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.07315314093276 variable y0 equal ${yi} variable y0 equal 4.61574550026819 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.1071884182994 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.55617969387933 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1054 -2.9871562 -2.1148382 -2.072926 1055 -2.9871562 -2.1148382 -2.0899574 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.07315314093276 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.61574550026819 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.87741336464225 variable y0 equal ${yi} variable y0 equal 6.4556893421792 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.82771694301902 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.49169163242807 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1055 -2.9871562 -2.1148382 -2.0899574 1056 -2.9871562 -2.1148382 -2.10587 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.87741336464225 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.4556893421792 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.18878640571939 variable y0 equal ${yi} variable y0 equal 5.5354710811873 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.28666220346796 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.46728776638704 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1056 -2.9871562 -2.1148382 -2.10587 1057 -2.9871562 -2.1148382 -2.054627 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.18878640571939 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.5354710811873 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.15771750847207 variable y0 equal ${yi} variable y0 equal 7.45649659958148 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.19276054540978 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.47491184797549 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1057 -2.9871562 -2.1148382 -2.054627 1058 -2.9871562 -2.1148382 -2.1110704 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.15771750847207 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.45649659958148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.66067210634184 variable y0 equal ${yi} variable y0 equal 2.84075683328011 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.67167732913923 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 2.85737189027169 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1058 -2.9871562 -2.1148382 -2.1110704 1059 -2.9871562 -2.1148382 -2.1173529 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.11735293311028 variable naccept equal ${increment} variable naccept equal 297 next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.85786454001552 variable y0 equal ${yi} variable y0 equal 2.82388043376306 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.93199559966213 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.77928504916528 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1059 -2.9871562 -2.1173529 -2.1173529 1060 -2.9871562 -2.1173529 -2.0911543 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.85786454001552 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.82388043376306 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 23 variable x0 equal ${xi} variable x0 equal 1.07343188841992 variable y0 equal ${yi} variable y0 equal 1.85961672446793 set atom $i x ${xnew} set atom 23 x ${xnew} set atom 23 x 1.04189253171139 1 settings made for x set atom $i y ${ynew} set atom 23 y ${ynew} set atom 23 y 1.91451200625962 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1060 -2.9871562 -2.1173529 -2.0911543 1061 -2.9871562 -2.1173529 -2.1037211 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 23 x ${x0} set atom 23 x 1.07343188841992 1 settings made for x set atom $i y ${y0} set atom 23 y ${y0} set atom 23 y 1.85961672446793 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 0.0538676500320435 variable y0 equal ${yi} variable y0 equal 1.89676245830125 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x 0.0669886708259583 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.86074338338441 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1061 -2.9871562 -2.1173529 -2.1037211 1062 -2.9871562 -2.1173529 -2.1180935 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.11809351969209 variable naccept equal ${increment} variable naccept equal 298 next iter jump SELF loop variable i equal ${irandom} variable i equal 62 variable x0 equal ${xi} variable x0 equal 0.69972850839224 variable y0 equal ${yi} variable y0 equal 6.49726980463495 set atom $i x ${xnew} set atom 62 x ${xnew} set atom 62 x 0.713499279418851 1 settings made for x set atom $i y ${ynew} set atom 62 y ${ynew} set atom 62 y 6.50074466005792 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1062 -2.9871562 -2.1180935 -2.1180935 1063 -2.9871562 -2.1180935 -2.1136587 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 62 x ${x0} set atom 62 x 0.69972850839224 1 settings made for x set atom $i y ${y0} set atom 62 y ${y0} set atom 62 y 6.49726980463495 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.44781843502732 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.51419964974124 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1063 -2.9871562 -2.1180935 -2.1136587 1064 -2.9871562 -2.1180935 -2.1073313 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.1789412740728 variable y0 equal ${yi} variable y0 equal 2.78276804658273 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.2670327548048 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.68955758782724 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1064 -2.9871562 -2.1180935 -2.1073313 1065 -2.9871562 -2.1180935 -2.1085948 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.1789412740728 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.78276804658273 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.11815181096249 variable y0 equal ${yi} variable y0 equal 7.44427507248187 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.20560403187924 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.52915455427432 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1065 -2.9871562 -2.1180935 -2.1085948 1066 -2.9871562 -2.1180935 -2.0675174 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.11815181096249 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.44427507248187 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 98 variable x0 equal ${xi} variable x0 equal 9.16308992821724 variable y0 equal ${yi} variable y0 equal 8.28462620891627 set atom $i x ${xnew} set atom 98 x ${xnew} set atom 98 x 9.16770966965706 1 settings made for x set atom $i y ${ynew} set atom 98 y ${ynew} set atom 98 y 8.35893106378611 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1066 -2.9871562 -2.1180935 -2.0675174 1067 -2.9871562 -2.1180935 -2.1150662 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 98 x ${x0} set atom 98 x 9.16308992821724 1 settings made for x set atom $i y ${y0} set atom 98 y ${y0} set atom 98 y 8.28462620891627 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.49823891638834 variable y0 equal ${yi} variable y0 equal 3.73309955163132 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.48537821292002 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.77371596856247 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1067 -2.9871562 -2.1180935 -2.1150662 1068 -2.9871562 -2.1180935 -2.1070197 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 53 x ${x0} set atom 53 x 6.49823891638834 1 settings made for x set atom $i y ${y0} set atom 53 y ${y0} set atom 53 y 3.73309955163132 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.87741336464225 variable y0 equal ${yi} variable y0 equal 6.4556893421792 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.94320748686134 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.42626939550867 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1068 -2.9871562 -2.1180935 -2.1070197 1069 -2.9871562 -2.1180935 -2.1056769 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.87741336464225 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.4556893421792 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.1610254410764 variable y0 equal ${yi} variable y0 equal 8.2609955064207 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.1109179023763 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.1708987227827 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1069 -2.9871562 -2.1180935 -2.1056769 1070 -2.9871562 -2.1180935 -2.0527492 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 100 x ${x0} set atom 100 x 10.1610254410764 1 settings made for x set atom $i y ${y0} set atom 100 y ${y0} set atom 100 y 8.2609955064207 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.50235789218808 variable y0 equal ${yi} variable y0 equal 3.73372400565278 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.42904138961697 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.82054955525529 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1070 -2.9871562 -2.1180935 -2.0527492 1071 -2.9871562 -2.1180935 -1.9156591 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 51 x ${x0} set atom 51 x 5.50235789218808 1 settings made for x set atom $i y ${y0} set atom 51 y ${y0} set atom 51 y 3.73372400565278 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.75404643018675 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.77387196177407 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1071 -2.9871562 -2.1180935 -1.9156591 1072 -2.9871562 -2.1180935 -2.0878248 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 33 variable x0 equal ${xi} variable x0 equal 6.35099447487909 variable y0 equal ${yi} variable y0 equal 1.92307773015564 set atom $i x ${xnew} set atom 33 x ${xnew} set atom 33 x 6.35121900557596 1 settings made for x set atom $i y ${ynew} set atom 33 y ${ynew} set atom 33 y 1.95760535380905 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1072 -2.9871562 -2.1180935 -2.0878248 1073 -2.9871562 -2.1180935 -2.1127167 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 33 x ${x0} set atom 33 x 6.35099447487909 1 settings made for x set atom $i y ${y0} set atom 33 y ${y0} set atom 33 y 1.92307773015564 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 10.6911063273601 variable y0 equal ${yi} variable y0 equal 5.45732250158982 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 10.5994230945758 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.45658954327302 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1073 -2.9871562 -2.1180935 -2.1127167 1074 -2.9871562 -2.1180935 -2.0802882 Loop time of 4.07696e-05 on 1 procs for 1 steps with 100 atoms 2452.8% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 61 x ${x0} set atom 61 x 10.6911063273601 1 settings made for x set atom $i y ${y0} set atom 61 y ${y0} set atom 61 y 5.45732250158982 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.10189970134594 variable y0 equal ${yi} variable y0 equal 4.6733581578152 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.02237313388683 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.71707281226085 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1074 -2.9871562 -2.1180935 -2.0802882 1075 -2.9871562 -2.1180935 -2.1033257 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 56 x ${x0} set atom 56 x 8.10189970134594 1 settings made for x set atom $i y ${y0} set atom 56 y ${y0} set atom 56 y 4.6733581578152 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.07315314093276 variable y0 equal ${yi} variable y0 equal 4.61574550026819 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.17234739342376 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.66297647112772 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1075 -2.9871562 -2.1180935 -2.1033257 1076 -2.9871562 -2.1180935 -2.0786132 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.07315314093276 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.61574550026819 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.54351456640837 variable y0 equal ${yi} variable y0 equal 3.68936000628603 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.61404219149229 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.61597636504305 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1076 -2.9871562 -2.1180935 -2.0786132 1077 -2.9871562 -2.1180935 -2.1039894 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 59 x ${x0} set atom 59 x 9.54351456640837 1 settings made for x set atom $i y ${y0} set atom 59 y ${y0} set atom 59 y 3.68936000628603 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.43885856071379 variable y0 equal ${yi} variable y0 equal 5.558475553443 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.35921405950453 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.52873084490494 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1077 -2.9871562 -2.1180935 -2.1039894 1078 -2.9871562 -2.1180935 -2.1151737 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.43885856071379 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.558475553443 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.40156468867379 variable y0 equal ${yi} variable y0 equal 0.00304889678955437 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.37437296628075 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y -0.0890555143356287 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1078 -2.9871562 -2.1180935 -2.1151737 1079 -2.9871562 -2.1180935 -2.1152033 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.40156468867379 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 0.00304889678955437 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.22492432355444 variable y0 equal ${yi} variable y0 equal 0.0240613460540867 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.25209930896322 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y -0.0460000395774746 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1079 -2.9871562 -2.1180935 -2.1152033 1080 -2.9871562 -2.1180935 -2.1109828 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 7 x ${x0} set atom 7 x 3.22492432355444 1 settings made for x set atom $i y ${y0} set atom 7 y ${y0} set atom 7 y 0.0240613460540867 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.16921079794274 variable y0 equal ${yi} variable y0 equal 1.86157575032777 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.08207823673592 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.87026369950837 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1080 -2.9871562 -2.1180935 -2.1109828 1081 -2.9871562 -2.1180935 -2.1079835 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.16921079794274 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.86157575032777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.51275517780553 variable y0 equal ${yi} variable y0 equal 3.68194531960619 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.43112865526448 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.68723789019716 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1081 -2.9871562 -2.1180935 -2.1079835 1082 -2.9871562 -2.1180935 -2.0650556 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 55 x ${x0} set atom 55 x 7.51275517780553 1 settings made for x set atom $i y ${y0} set atom 55 y ${y0} set atom 55 y 3.68194531960619 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.55546174207155 variable y0 equal ${yi} variable y0 equal 5.67337435429292 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.53405225434725 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.59134830181794 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1082 -2.9871562 -2.1180935 -2.0650556 1083 -2.9871562 -2.1180935 -2.1014894 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.55546174207155 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.67337435429292 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.48253180264112 variable y0 equal ${yi} variable y0 equal 1.83061694285935 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.42826701878187 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.91359651467866 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1083 -2.9871562 -2.1180935 -2.1014894 1084 -2.9871562 -2.1180935 -2.0289456 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 39 x ${x0} set atom 39 x 9.48253180264112 1 settings made for x set atom $i y ${y0} set atom 39 y ${y0} set atom 39 y 1.83061694285935 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.30100279251004 variable y0 equal ${yi} variable y0 equal 7.47468527879977 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.22453016439343 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.5425423058536 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1084 -2.9871562 -2.1180935 -2.0289456 1085 -2.9871562 -2.1180935 -1.9336294 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.30100279251004 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.47468527879977 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 38 variable x0 equal ${xi} variable x0 equal 9.17293971497565 variable y0 equal ${yi} variable y0 equal 2.77695646258691 set atom $i x ${xnew} set atom 38 x ${xnew} set atom 38 x 9.09958864171057 1 settings made for x set atom $i y ${ynew} set atom 38 y ${ynew} set atom 38 y 2.75573046180108 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1085 -2.9871562 -2.1180935 -1.9336294 1086 -2.9871562 -2.1180935 -2.1361124 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.13611243250496 variable naccept equal ${increment} variable naccept equal 299 next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.64328949609225 variable y0 equal ${yi} variable y0 equal 7.40728055563236 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.56648336806719 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.3369070562389 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1086 -2.9871562 -2.1361124 -2.1361124 1087 -2.9871562 -2.1361124 -2.0594079 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 97 x ${x0} set atom 97 x 8.64328949609225 1 settings made for x set atom $i y ${y0} set atom 97 y ${y0} set atom 97 y 7.40728055563236 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.00726719538078 variable y0 equal ${yi} variable y0 equal 0.00341384410857337 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 2.06985479036674 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y -0.076136350631722 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1087 -2.9871562 -2.1361124 -2.0594079 1088 -2.9871562 -2.1361124 -2.1242588 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 2.00726719538078 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 0.00341384410857337 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.34778394777985 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.51884498541552 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1088 -2.9871562 -2.1361124 -2.1242588 1089 -2.9871562 -2.1361124 -2.1352744 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.92934083898059 variable y0 equal ${yi} variable y0 equal 6.62002104059687 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 5.90265085656634 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.60202899710169 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1089 -2.9871562 -2.1361124 -2.1352744 1090 -2.9871562 -2.1361124 -2.1415283 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.14152825389278 variable naccept equal ${increment} variable naccept equal 300 next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.59001860499163 variable y0 equal ${yi} variable y0 equal 4.68076303357049 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.57886640906115 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.77649509066506 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1090 -2.9871562 -2.1415283 -2.1415283 1091 -2.9871562 -2.1415283 -2.1123392 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.59001860499163 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.68076303357049 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.51275517780553 variable y0 equal ${yi} variable y0 equal 3.68194531960619 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.54333351690541 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.62732655568255 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1091 -2.9871562 -2.1415283 -2.1123392 1092 -2.9871562 -2.1415283 -2.1333794 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 55 x ${x0} set atom 55 x 7.51275517780553 1 settings made for x set atom $i y ${y0} set atom 55 y ${y0} set atom 55 y 3.68194531960619 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.19388546387063 variable y0 equal ${yi} variable y0 equal 3.77270575328004 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.19075627962457 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.74138499064576 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1092 -2.9871562 -2.1415283 -2.1333794 1093 -2.9871562 -2.1415283 -2.1363004 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.19388546387063 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.77270575328004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.16654193121941 variable y0 equal ${yi} variable y0 equal 6.51635446087352 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 9.07348546702416 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.60193919674388 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1093 -2.9871562 -2.1415283 -2.1363004 1094 -2.9871562 -2.1415283 -2.0760729 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 78 x ${x0} set atom 78 x 9.16654193121941 1 settings made for x set atom $i y ${y0} set atom 78 y ${y0} set atom 78 y 6.51635446087352 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.6009229858571 variable y0 equal ${yi} variable y0 equal 9.18416120517581 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.5012592871839 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 9.20085385549396 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1094 -2.9871562 -2.1415283 -2.0760729 1095 -2.9871562 -2.1415283 -2.1310712 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 1 x ${x0} set atom 1 x 10.6009229858571 1 settings made for x set atom $i y ${y0} set atom 1 y ${y0} set atom 1 y 9.18416120517581 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.43885856071379 variable y0 equal ${yi} variable y0 equal 5.558475553443 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.49586050907042 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.58052233402924 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1095 -2.9871562 -2.1415283 -2.1310712 1096 -2.9871562 -2.1415283 -2.1173465 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.43885856071379 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.558475553443 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.6009229858571 variable y0 equal ${yi} variable y0 equal 9.18416120517581 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.6549111087972 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 9.08942075479358 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1096 -2.9871562 -2.1415283 -2.1173465 1097 -2.9871562 -2.1415283 -2.0830982 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 1 x ${x0} set atom 1 x 10.6009229858571 1 settings made for x set atom $i y ${y0} set atom 1 y ${y0} set atom 1 y 9.18416120517581 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 41 variable x0 equal ${xi} variable x0 equal 0.0739950656890791 variable y0 equal ${yi} variable y0 equal 3.67012049718035 set atom $i x ${xnew} set atom 41 x ${xnew} set atom 41 x 0.144437539577476 1 settings made for x set atom $i y ${ynew} set atom 41 y ${ynew} set atom 41 y 3.58735159201754 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1097 -2.9871562 -2.1415283 -2.0830982 1098 -2.9871562 -2.1415283 -2.0772211 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 41 x ${x0} set atom 41 x 0.0739950656890791 1 settings made for x set atom $i y ${y0} set atom 41 y ${y0} set atom 41 y 3.67012049718035 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.11815181096249 variable y0 equal ${yi} variable y0 equal 7.44427507248187 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.15947900136166 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.43768918838763 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1098 -2.9871562 -2.1415283 -2.0772211 1099 -2.9871562 -2.1415283 -2.135229 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.11815181096249 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.44427507248187 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.50331240732442 variable y0 equal ${yi} variable y0 equal 7.44483136263156 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.53213668901692 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.37864765253329 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1099 -2.9871562 -2.1415283 -2.135229 1100 -2.9871562 -2.1415283 -2.1225954 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 95 x ${x0} set atom 95 x 7.50331240732442 1 settings made for x set atom $i y ${y0} set atom 95 y ${y0} set atom 95 y 7.44483136263156 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.83310471732608 variable y0 equal ${yi} variable y0 equal 8.3484317771345 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.85007053573123 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.28624830164012 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1100 -2.9871562 -2.1415283 -2.1225954 1101 -2.9871562 -2.1415283 -2.1112938 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.83310471732608 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.3484317771345 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 12 variable x0 equal ${xi} variable x0 equal 5.89968223531238 variable y0 equal ${yi} variable y0 equal 0.886041899431079 set atom $i x ${xnew} set atom 12 x ${xnew} set atom 12 x 5.89517073590747 1 settings made for x set atom $i y ${ynew} set atom 12 y ${ynew} set atom 12 y 0.848996980893939 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1101 -2.9871562 -2.1415283 -2.1112938 1102 -2.9871562 -2.1415283 -2.1318928 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 12 x ${x0} set atom 12 x 5.89968223531238 1 settings made for x set atom $i y ${y0} set atom 12 y ${y0} set atom 12 y 0.886041899431079 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.51275517780553 variable y0 equal ${yi} variable y0 equal 3.68194531960619 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.47090582687627 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.74330347342623 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1102 -2.9871562 -2.1415283 -2.1318928 1103 -2.9871562 -2.1415283 -2.1184746 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 55 x ${x0} set atom 55 x 7.51275517780553 1 settings made for x set atom $i y ${y0} set atom 55 y ${y0} set atom 55 y 3.68194531960619 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.64134974360247 variable y0 equal ${yi} variable y0 equal 0.972303231466143 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.5633272278287 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.874827190149157 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1103 -2.9871562 -2.1415283 -2.1184746 1104 -2.9871562 -2.1415283 -2.1286056 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.64134974360247 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.972303231466143 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.69106418092681 variable y0 equal ${yi} variable y0 equal 0.920749815214004 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.7385457416339 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 0.980258615720596 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1104 -2.9871562 -2.1415283 -2.1286056 1105 -2.9871562 -2.1415283 -2.1319467 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 6 x ${x0} set atom 6 x 2.69106418092681 1 settings made for x set atom $i y ${y0} set atom 6 y ${y0} set atom 6 y 0.920749815214004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.4949854779112 variable y0 equal ${yi} variable y0 equal 0.0935324668884274 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.50610465286848 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.118172180652618 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1105 -2.9871562 -2.1415283 -2.1319467 1106 -2.9871562 -2.1415283 -2.1413445 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.4949854779112 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.0935324668884274 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.83310471732608 variable y0 equal ${yi} variable y0 equal 8.3484317771345 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.9232274051427 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.40573080696162 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1106 -2.9871562 -2.1415283 -2.1413445 1107 -2.9871562 -2.1415283 -2.1444334 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.14443340757643 variable naccept equal ${increment} variable naccept equal 301 next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.81377544601393 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.62144785279199 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1107 -2.9871562 -2.1444334 -2.1444334 1108 -2.9871562 -2.1444334 -2.1107033 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 0.0669886708259583 variable y0 equal ${yi} variable y0 equal 1.86074338338441 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x 0.161515748500824 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.93975150964326 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1108 -2.9871562 -2.1444334 -2.1107033 1109 -2.9871562 -2.1444334 -2.0447319 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 21 x ${x0} set atom 21 x 0.0669886708259583 1 settings made for x set atom $i y ${y0} set atom 21 y ${y0} set atom 21 y 1.86074338338441 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.49823891638834 variable y0 equal ${yi} variable y0 equal 3.73309955163132 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.58433413027842 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.72119978232514 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1109 -2.9871562 -2.1444334 -2.0447319 1110 -2.9871562 -2.1444334 -2.1030167 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 53 x ${x0} set atom 53 x 6.49823891638834 1 settings made for x set atom $i y ${y0} set atom 53 y ${y0} set atom 53 y 3.73309955163132 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.87741336464225 variable y0 equal ${yi} variable y0 equal 6.4556893421792 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.85989640592872 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.43531500832071 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1110 -2.9871562 -2.1444334 -2.1030167 1111 -2.9871562 -2.1444334 -2.1430243 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.87741336464225 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.4556893421792 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.55546174207155 variable y0 equal ${yi} variable y0 equal 5.67337435429292 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.587389387278 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.70525729601579 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1111 -2.9871562 -2.1444334 -2.1430243 1112 -2.9871562 -2.1444334 -2.136948 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.55546174207155 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.67337435429292 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 9 variable x0 equal ${xi} variable x0 equal 4.31488733370514 variable y0 equal ${yi} variable y0 equal 0.0164698362350535 set atom $i x ${xnew} set atom 9 x ${xnew} set atom 9 x 4.35531896431656 1 settings made for x set atom $i y ${ynew} set atom 9 y ${ynew} set atom 9 y -0.0153877139091421 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1112 -2.9871562 -2.1444334 -2.136948 1113 -2.9871562 -2.1444334 -2.1281465 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 9 x ${x0} set atom 9 x 4.31488733370514 1 settings made for x set atom $i y ${y0} set atom 9 y ${y0} set atom 9 y 0.0164698362350535 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.43885856071379 variable y0 equal ${yi} variable y0 equal 5.558475553443 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.39688163200285 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.55267873947816 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1113 -2.9871562 -2.1444334 -2.1281465 1114 -2.9871562 -2.1444334 -2.1470643 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.14706431793954 variable naccept equal ${increment} variable naccept equal 302 next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.68808116793414 variable y0 equal ${yi} variable y0 equal 6.45315314070217 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.72319588541766 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.35422031418316 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1114 -2.9871562 -2.1470643 -2.1470643 1115 -2.9871562 -2.1470643 -2.1205401 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.68808116793414 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.45315314070217 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.4157506708166 variable y0 equal ${yi} variable y0 equal 6.43439372316829 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.505614650633 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.51881291405193 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1115 -2.9871562 -2.1470643 -2.1205401 1116 -2.9871562 -2.1470643 -2.0704758 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.4157506708166 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.43439372316829 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.54407576480333 variable y0 equal ${yi} variable y0 equal 3.66106940074097 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.46830983319704 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.71250977082383 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1116 -2.9871562 -2.1470643 -2.0704758 1117 -2.9871562 -2.1470643 -2.1316474 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.54407576480333 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.66106940074097 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.51275517780553 variable y0 equal ${yi} variable y0 equal 3.68194531960619 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.56329734165441 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.72885418696535 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1117 -2.9871562 -2.1470643 -2.1316474 1118 -2.9871562 -2.1470643 -2.1492353 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.14923529552031 variable naccept equal ${increment} variable naccept equal 303 next iter jump SELF loop variable i equal ${irandom} variable i equal 17 variable x0 equal ${xi} variable x0 equal 8.55511315026705 variable y0 equal ${yi} variable y0 equal 9.1494782041344 set atom $i x ${xnew} set atom 17 x ${xnew} set atom 17 x 8.52910037198489 1 settings made for x set atom $i y ${ynew} set atom 17 y ${ynew} set atom 17 y 9.11551784980625 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1118 -2.9871562 -2.1492353 -2.1492353 1119 -2.9871562 -2.1492353 -2.1433838 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 17 x ${x0} set atom 17 x 8.55511315026705 1 settings made for x set atom $i y ${y0} set atom 17 y ${y0} set atom 17 y 9.1494782041344 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 74 variable x0 equal ${xi} variable x0 equal 7.09398345032379 variable y0 equal ${yi} variable y0 equal 6.52802731529703 set atom $i x ${xnew} set atom 74 x ${xnew} set atom 74 x 7.03482454100296 1 settings made for x set atom $i y ${ynew} set atom 74 y ${ynew} set atom 74 y 6.62182900444498 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1119 -2.9871562 -2.1492353 -2.1433838 1120 -2.9871562 -2.1492353 -2.1470492 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 74 x ${x0} set atom 74 x 7.09398345032379 1 settings made for x set atom $i y ${y0} set atom 74 y ${y0} set atom 74 y 6.52802731529703 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.6009229858571 variable y0 equal ${yi} variable y0 equal 9.18416120517581 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.6111590226346 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 9.22944378364413 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1120 -2.9871562 -2.1492353 -2.1470492 1121 -2.9871562 -2.1492353 -2.1522176 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.15221758842999 variable naccept equal ${increment} variable naccept equal 304 next iter jump SELF loop variable i equal ${irandom} variable i equal 98 variable x0 equal ${xi} variable x0 equal 9.16308992821724 variable y0 equal ${yi} variable y0 equal 8.28462620891627 set atom $i x ${xnew} set atom 98 x ${xnew} set atom 98 x 9.08304459769279 1 settings made for x set atom $i y ${ynew} set atom 98 y ${ynew} set atom 98 y 8.3205754152685 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1121 -2.9871562 -2.1522176 -2.1522176 1122 -2.9871562 -2.1522176 -2.1303556 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 98 x ${x0} set atom 98 x 9.16308992821724 1 settings made for x set atom $i y ${y0} set atom 98 y ${y0} set atom 98 y 8.28462620891627 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.8951647126609 variable y0 equal ${yi} variable y0 equal 2.85868977280953 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 4.94261277555763 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.85001909705498 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1122 -2.9871562 -2.1522176 -2.1303556 1123 -2.9871562 -2.1522176 -2.1368985 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 30 x ${x0} set atom 30 x 4.8951647126609 1 settings made for x set atom $i y ${y0} set atom 30 y ${y0} set atom 30 y 2.85868977280953 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.33299971897813 variable y0 equal ${yi} variable y0 equal 1.87642453095979 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.28497786600801 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.82430138967103 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1123 -2.9871562 -2.1522176 -2.1368985 1124 -2.9871562 -2.1522176 -2.1175093 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.33299971897813 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.87642453095979 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.6111590226346 variable y0 equal ${yi} variable y0 equal 9.22944378364413 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.5702605326825 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 9.13415164459079 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1124 -2.9871562 -2.1522176 -2.1175093 1125 -2.9871562 -2.1522176 -2.1309765 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 1 x ${x0} set atom 1 x 10.6111590226346 1 settings made for x set atom $i y ${y0} set atom 1 y ${y0} set atom 1 y 9.22944378364413 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.545649071136379 variable y0 equal ${yi} variable y0 equal 2.77431966039041 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.496001632610225 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.70756001445154 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1125 -2.9871562 -2.1522176 -2.1309765 1126 -2.9871562 -2.1522176 -2.1248685 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.545649071136379 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.77431966039041 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 17 variable x0 equal ${xi} variable x0 equal 8.55511315026705 variable y0 equal ${yi} variable y0 equal 9.1494782041344 set atom $i x ${xnew} set atom 17 x ${xnew} set atom 17 x 8.5157556430382 1 settings made for x set atom $i y ${ynew} set atom 17 y ${ynew} set atom 17 y 9.18696020353168 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1126 -2.9871562 -2.1522176 -2.1248685 1127 -2.9871562 -2.1522176 -2.165775 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.16577499382645 variable naccept equal ${increment} variable naccept equal 305 next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.16654193121941 variable y0 equal ${yi} variable y0 equal 6.51635446087352 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 9.21994257885964 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.46503917709819 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1127 -2.9871562 -2.165775 -2.165775 1128 -2.9871562 -2.165775 -2.1153335 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 78 x ${x0} set atom 78 x 9.16654193121941 1 settings made for x set atom $i y ${y0} set atom 78 y ${y0} set atom 78 y 6.51635446087352 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.67167732913923 variable y0 equal ${yi} variable y0 equal 2.85737189027169 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.68082190950346 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 2.79840850802758 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1128 -2.9871562 -2.165775 -2.1153335 1129 -2.9871562 -2.165775 -2.1515914 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 26 x ${x0} set atom 26 x 2.67167732913923 1 settings made for x set atom $i y ${y0} set atom 26 y ${y0} set atom 26 y 2.85737189027169 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.50331240732442 variable y0 equal ${yi} variable y0 equal 7.44483136263156 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.47326849539052 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.43898451652789 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1129 -2.9871562 -2.165775 -2.1515914 1130 -2.9871562 -2.165775 -2.1646 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 95 x ${x0} set atom 95 x 7.50331240732442 1 settings made for x set atom $i y ${y0} set atom 95 y ${y0} set atom 95 y 7.44483136263156 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.15410325844937 variable y0 equal ${yi} variable y0 equal 3.75003771348131 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 1.12513141949826 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.67246260209215 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1130 -2.9871562 -2.165775 -2.1646 1131 -2.9871562 -2.165775 -2.1594605 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 43 x ${x0} set atom 43 x 1.15410325844937 1 settings made for x set atom $i y ${y0} set atom 43 y ${y0} set atom 43 y 3.75003771348131 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.8951647126609 variable y0 equal ${yi} variable y0 equal 2.85868977280953 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 4.87415899872123 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.89377870532372 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1131 -2.9871562 -2.165775 -2.1594605 1132 -2.9871562 -2.165775 -2.1590435 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 30 x ${x0} set atom 30 x 4.8951647126609 1 settings made for x set atom $i y ${y0} set atom 30 y ${y0} set atom 30 y 2.85868977280953 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.50235789218808 variable y0 equal ${yi} variable y0 equal 3.73372400565278 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.57091288963223 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.78090056939256 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1132 -2.9871562 -2.165775 -2.1590435 1133 -2.9871562 -2.165775 -2.0942328 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 51 x ${x0} set atom 51 x 5.50235789218808 1 settings made for x set atom $i y ${y0} set atom 51 y ${y0} set atom 51 y 3.73372400565278 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.19388546387063 variable y0 equal ${yi} variable y0 equal 3.77270575328004 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.22496320644723 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.76362574858796 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1133 -2.9871562 -2.165775 -2.0942328 1134 -2.9871562 -2.165775 -2.1610511 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.19388546387063 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.77270575328004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.59001860499163 variable y0 equal ${yi} variable y0 equal 4.68076303357049 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.67673475622912 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.63834870213433 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1134 -2.9871562 -2.165775 -2.1610511 1135 -2.9871562 -2.165775 -2.1569299 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.59001860499163 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.68076303357049 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.08689599949867 variable y0 equal ${yi} variable y0 equal 4.81755102032586 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.14854123312981 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.91530180329247 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1135 -2.9871562 -2.165775 -2.1569299 1136 -2.9871562 -2.165775 -2.1391762 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 58 x ${x0} set atom 58 x 9.08689599949867 1 settings made for x set atom $i y ${y0} set atom 58 y ${y0} set atom 58 y 4.81755102032586 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.93586747366935 variable y0 equal ${yi} variable y0 equal 0.897689135778275 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 8.87980985362083 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 0.854127057302323 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1136 -2.9871562 -2.165775 -2.1391762 1137 -2.9871562 -2.165775 -2.1557944 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 8.93586747366935 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.897689135778275 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 73 variable x0 equal ${xi} variable x0 equal 6.42834627150613 variable y0 equal ${yi} variable y0 equal 5.4691439980765 set atom $i x ${xnew} set atom 73 x ${xnew} set atom 73 x 6.46373228549081 1 settings made for x set atom $i y ${ynew} set atom 73 y ${ynew} set atom 73 y 5.43826093619067 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1137 -2.9871562 -2.165775 -2.1557944 1138 -2.9871562 -2.165775 -2.1583566 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 73 x ${x0} set atom 73 x 6.42834627150613 1 settings made for x set atom $i y ${y0} set atom 73 y ${y0} set atom 73 y 5.4691439980765 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.570630665222075 variable y0 equal ${yi} variable y0 equal 0.909747691858138 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.599176140228178 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.960370536554183 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1138 -2.9871562 -2.165775 -2.1583566 1139 -2.9871562 -2.165775 -2.1615325 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.570630665222075 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.909747691858138 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 87 variable x0 equal ${xi} variable x0 equal 3.19670169114628 variable y0 equal ${yi} variable y0 equal 7.45894124832415 set atom $i x ${xnew} set atom 87 x ${xnew} set atom 87 x 3.20964491128483 1 settings made for x set atom $i y ${ynew} set atom 87 y ${ynew} set atom 87 y 7.4096286090877 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1139 -2.9871562 -2.165775 -2.1615325 1140 -2.9871562 -2.165775 -2.1662079 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.16620786766263 variable naccept equal ${increment} variable naccept equal 306 next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.4157506708166 variable y0 equal ${yi} variable y0 equal 6.43439372316829 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.3476545099279 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.42597442404262 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1140 -2.9871562 -2.1662079 -2.1662079 1141 -2.9871562 -2.1662079 -2.1570415 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.4157506708166 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.43439372316829 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.07315314093276 variable y0 equal ${yi} variable y0 equal 4.61574550026819 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.11453926840468 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.61826166266367 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1141 -2.9871562 -2.1662079 -2.1570415 1142 -2.9871562 -2.1662079 -2.1567147 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.07315314093276 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.61574550026819 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.19226642608205 variable y0 equal ${yi} variable y0 equal 1.99900682351654 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.28276985644857 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 2.09438709399765 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1142 -2.9871562 -2.1662079 -2.1567147 1143 -2.9871562 -2.1662079 -2.1205509 Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms 2383.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 27 x ${x0} set atom 27 x 3.19226642608205 1 settings made for x set atom $i y ${y0} set atom 27 y ${y0} set atom 27 y 1.99900682351654 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.69766905506086 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.62787096852227 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1143 -2.9871562 -2.1662079 -2.1205509 1144 -2.9871562 -2.1662079 -2.161517 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.46753388483297 variable y0 equal ${yi} variable y0 equal 0.0335806965827942 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.38857291776907 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y -0.0451780676841736 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1144 -2.9871562 -2.1662079 -2.161517 1145 -2.9871562 -2.1662079 -2.1172882 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.46753388483297 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.0335806965827942 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.11236243842937 variable y0 equal ${yi} variable y0 equal 8.24853718198832 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.04289104341365 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.17687092937525 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1145 -2.9871562 -2.1662079 -2.1172882 1146 -2.9871562 -2.1662079 -2.1097908 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.11236243842937 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.24853718198832 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 81 variable x0 equal ${xi} variable x0 equal 0.0322040319442937 variable y0 equal ${yi} variable y0 equal 7.38692112293505 set atom $i x ${xnew} set atom 81 x ${xnew} set atom 81 x 0.105302798748035 1 settings made for x set atom $i y ${ynew} set atom 81 y ${ynew} set atom 81 y 7.30429138269686 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1146 -2.9871562 -2.1662079 -2.1097908 1147 -2.9871562 -2.1662079 -2.1561806 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 81 x ${x0} set atom 81 x 0.0322040319442937 1 settings made for x set atom $i y ${y0} set atom 81 y ${y0} set atom 81 y 7.38692112293505 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 86 variable x0 equal ${xi} variable x0 equal 2.73339517314864 variable y0 equal ${yi} variable y0 equal 8.40177918590603 set atom $i x ${xnew} set atom 86 x ${xnew} set atom 86 x 2.66408509214354 1 settings made for x set atom $i y ${ynew} set atom 86 y ${ynew} set atom 86 y 8.48223007835445 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1147 -2.9871562 -2.1662079 -2.1561806 1148 -2.9871562 -2.1662079 -2.1576966 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 86 x ${x0} set atom 86 x 2.73339517314864 1 settings made for x set atom $i y ${y0} set atom 86 y ${y0} set atom 86 y 8.40177918590603 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.39688163200285 variable y0 equal ${yi} variable y0 equal 5.55267873947816 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.41745940843489 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.54884942715364 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1148 -2.9871562 -2.1662079 -2.1576966 1149 -2.9871562 -2.1662079 -2.1665774 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.1665774210028 variable naccept equal ${increment} variable naccept equal 307 next iter jump SELF loop variable i equal ${irandom} variable i equal 62 variable x0 equal ${xi} variable x0 equal 0.69972850839224 variable y0 equal ${yi} variable y0 equal 6.49726980463495 set atom $i x ${xnew} set atom 62 x ${xnew} set atom 62 x 0.654104717174436 1 settings made for x set atom $i y ${ynew} set atom 62 y ${ynew} set atom 62 y 6.49111358658304 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1149 -2.9871562 -2.1665774 -2.1665774 1150 -2.9871562 -2.1665774 -2.1703215 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.17032154223415 variable naccept equal ${increment} variable naccept equal 308 next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.9899615760564 variable y0 equal ${yi} variable y0 equal 4.5907792245762 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 6.00822756249897 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.53190805071756 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1150 -2.9871562 -2.1703215 -2.1703215 1151 -2.9871562 -2.1703215 -2.1347581 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 5.9899615760564 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.5907792245762 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.64328949609225 variable y0 equal ${yi} variable y0 equal 7.40728055563236 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.72356691518252 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.4188692244556 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1151 -2.9871562 -2.1703215 -2.1347581 1152 -2.9871562 -2.1703215 -2.1677689 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 97 x ${x0} set atom 97 x 8.64328949609225 1 settings made for x set atom $i y ${y0} set atom 97 y ${y0} set atom 97 y 7.40728055563236 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.08689599949867 variable y0 equal ${yi} variable y0 equal 4.81755102032586 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.00002467352897 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.7307886039631 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1152 -2.9871562 -2.1703215 -2.1677689 1153 -2.9871562 -2.1703215 -2.1138879 Loop time of 8.4877e-05 on 1 procs for 1 steps with 100 atoms 1177.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 58 x ${x0} set atom 58 x 9.08689599949867 1 settings made for x set atom $i y ${y0} set atom 58 y ${y0} set atom 58 y 4.81755102032586 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.22492432355444 variable y0 equal ${yi} variable y0 equal 0.0240613460540867 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.28626711129705 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y -0.0586591124534511 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1153 -2.9871562 -2.1703215 -2.1138879 1154 -2.9871562 -2.1703215 -2.1594252 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 7 x ${x0} set atom 7 x 3.22492432355444 1 settings made for x set atom $i y ${y0} set atom 7 y ${y0} set atom 7 y 0.0240613460540867 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.49823891638834 variable y0 equal ${yi} variable y0 equal 3.73309955163132 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.47828716754038 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.67844161553513 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1154 -2.9871562 -2.1703215 -2.1594252 1155 -2.9871562 -2.1703215 -2.1534389 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 53 x ${x0} set atom 53 x 6.49823891638834 1 settings made for x set atom $i y ${y0} set atom 53 y ${y0} set atom 53 y 3.73309955163132 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 12 variable x0 equal ${xi} variable x0 equal 5.89968223531238 variable y0 equal ${yi} variable y0 equal 0.886041899431079 set atom $i x ${xnew} set atom 12 x ${xnew} set atom 12 x 5.85675258595935 1 settings made for x set atom $i y ${ynew} set atom 12 y ${ynew} set atom 12 y 0.888840575921863 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1155 -2.9871562 -2.1703215 -2.1534389 1156 -2.9871562 -2.1703215 -2.1725121 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.17251207266726 variable naccept equal ${increment} variable naccept equal 309 next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.54407576480333 variable y0 equal ${yi} variable y0 equal 3.66106940074097 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.55007757106248 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.6280117825998 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1156 -2.9871562 -2.1725121 -2.1725121 1157 -2.9871562 -2.1725121 -2.1702938 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.54407576480333 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.66106940074097 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.66311051726122 variable y0 equal ${yi} variable y0 equal 2.84872870417932 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.58530928969164 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.75449854108194 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1157 -2.9871562 -2.1725121 -2.1702938 1158 -2.9871562 -2.1725121 -2.1755075 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.17550751185153 variable naccept equal ${increment} variable naccept equal 310 next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.16921079794274 variable y0 equal ${yi} variable y0 equal 1.86157575032777 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.17886902729378 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.76391618630952 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1158 -2.9871562 -2.1755075 -2.1755075 1159 -2.9871562 -2.1755075 -2.142306 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.16921079794274 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.86157575032777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 82 variable x0 equal ${xi} variable x0 equal 0.44764589826193 variable y0 equal ${yi} variable y0 equal 8.32563534893091 set atom $i x ${xnew} set atom 82 x ${xnew} set atom 82 x 0.545979900756742 1 settings made for x set atom $i y ${ynew} set atom 82 y ${ynew} set atom 82 y 8.34371250785883 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1159 -2.9871562 -2.1755075 -2.142306 1160 -2.9871562 -2.1755075 -2.1701465 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 82 x ${x0} set atom 82 x 0.44764589826193 1 settings made for x set atom $i y ${y0} set atom 82 y ${y0} set atom 82 y 8.32563534893091 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.89360781310894 variable y0 equal ${yi} variable y0 equal 0.970815511453479 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.95025718807079 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 0.949378951299518 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1160 -2.9871562 -2.1755075 -2.1701465 1161 -2.9871562 -2.1755075 -2.1752032 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.17520320560261 variable naccept equal ${increment} variable naccept equal 311 next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.49823891638834 variable y0 equal ${yi} variable y0 equal 3.73309955163132 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.58669563054163 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.75819195075165 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1161 -2.9871562 -2.1752032 -2.1752032 1162 -2.9871562 -2.1752032 -2.1606636 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 53 x ${x0} set atom 53 x 6.49823891638834 1 settings made for x set atom $i y ${y0} set atom 53 y ${y0} set atom 53 y 3.73309955163132 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.77716802000341 variable y0 equal ${yi} variable y0 equal 8.29469001211223 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.85146122812566 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.31532715477046 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1162 -2.9871562 -2.1752032 -2.1606636 1163 -2.9871562 -2.1752032 -2.1822669 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.18226691609051 variable naccept equal ${increment} variable naccept equal 312 next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.50331240732442 variable y0 equal ${yi} variable y0 equal 7.44483136263156 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.44194593269597 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.50417813387179 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1163 -2.9871562 -2.1822669 -2.1822669 1164 -2.9871562 -2.1822669 -2.175832 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 95 x ${x0} set atom 95 x 7.50331240732442 1 settings made for x set atom $i y ${y0} set atom 95 y ${y0} set atom 95 y 7.44483136263156 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.89080204048797 variable y0 equal ${yi} variable y0 equal 0.962413962591011 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.8989058760707 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 0.992066200483162 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1164 -2.9871562 -2.1822669 -2.175832 1165 -2.9871562 -2.1822669 -2.1772621 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.89080204048797 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 0.962413962591011 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.76206280509119 variable y0 equal ${yi} variable y0 equal 4.61360334509775 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.8253456644166 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.53965295905039 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1165 -2.9871562 -2.1822669 -2.1772621 1166 -2.9871562 -2.1822669 -2.166644 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.76206280509119 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.61360334509775 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 62 variable x0 equal ${xi} variable x0 equal 0.654104717174436 variable y0 equal ${yi} variable y0 equal 6.49111358658304 set atom $i x ${xnew} set atom 62 x ${xnew} set atom 62 x 0.602324505248929 1 settings made for x set atom $i y ${ynew} set atom 62 y ${ynew} set atom 62 y 6.48414600626459 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1166 -2.9871562 -2.1822669 -2.166644 1167 -2.9871562 -2.1822669 -2.1624125 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 62 x ${x0} set atom 62 x 0.654104717174436 1 settings made for x set atom $i y ${y0} set atom 62 y ${y0} set atom 62 y 6.49111358658304 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.1148146752378 variable y0 equal ${yi} variable y0 equal 4.54698911065027 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.0763516906759 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.53816328400537 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1167 -2.9871562 -2.1822669 -2.1624125 1168 -2.9871562 -2.1822669 -2.1749248 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 60 x ${x0} set atom 60 x 10.1148146752378 1 settings made for x set atom $i y ${y0} set atom 60 y ${y0} set atom 60 y 4.54698911065027 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.31064851680662 variable y0 equal ${yi} variable y0 equal 1.91864991567201 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.21164707342054 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.8427583255536 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1168 -2.9871562 -2.1822669 -2.1749248 1169 -2.9871562 -2.1822669 -2.0541052 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 31 x ${x0} set atom 31 x 5.31064851680662 1 settings made for x set atom $i y ${y0} set atom 31 y ${y0} set atom 31 y 1.91864991567201 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.1148146752378 variable y0 equal ${yi} variable y0 equal 4.54698911065027 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.2142434600851 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.50316708439752 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1169 -2.9871562 -2.1822669 -2.0541052 1170 -2.9871562 -2.1822669 -2.1695054 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 60 x ${x0} set atom 60 x 10.1148146752378 1 settings made for x set atom $i y ${y0} set atom 60 y ${y0} set atom 60 y 4.54698911065027 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.00726719538078 variable y0 equal ${yi} variable y0 equal 0.00341384410857337 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 2.07584694067344 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y 0.00976005792616981 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1170 -2.9871562 -2.1822669 -2.1695054 1171 -2.9871562 -2.1822669 -2.190803 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.19080301621031 variable naccept equal ${increment} variable naccept equal 313 next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.545649071136379 variable y0 equal ${yi} variable y0 equal 2.77431966039041 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.631556172767543 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.8337506887565 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1171 -2.9871562 -2.190803 -2.190803 1172 -2.9871562 -2.190803 -2.1696095 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.545649071136379 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.77431966039041 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.11815181096249 variable y0 equal ${yi} variable y0 equal 7.44427507248187 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.20192232449704 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.46502292480731 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1172 -2.9871562 -2.190803 -2.1696095 1173 -2.9871562 -2.190803 -2.1623233 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.11815181096249 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.44427507248187 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 9 variable x0 equal ${xi} variable x0 equal 4.31488733370514 variable y0 equal ${yi} variable y0 equal 0.0164698362350535 set atom $i x ${xnew} set atom 9 x ${xnew} set atom 9 x 4.34552183230133 1 settings made for x set atom $i y ${ynew} set atom 9 y ${ynew} set atom 9 y 0.112367868423469 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1173 -2.9871562 -2.190803 -2.1623233 1174 -2.9871562 -2.190803 -2.1740217 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 9 x ${x0} set atom 9 x 4.31488733370514 1 settings made for x set atom $i y ${y0} set atom 9 y ${y0} set atom 9 y 0.0164698362350535 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.36479252655717 variable y0 equal ${yi} variable y0 equal 7.37975311603808 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.38815976460191 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.34372957077288 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1174 -2.9871562 -2.190803 -2.1740217 1175 -2.9871562 -2.190803 -2.1691292 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.36479252655717 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.37975311603808 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.58530928969164 variable y0 equal ${yi} variable y0 equal 2.75449854108194 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.56724593519945 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.68372769328455 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1175 -2.9871562 -2.190803 -2.1691292 1176 -2.9871562 -2.190803 -2.1641552 Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 24 x ${x0} set atom 24 x 1.58530928969164 1 settings made for x set atom $i y ${y0} set atom 24 y ${y0} set atom 24 y 2.75449854108194 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.90086858232013 variable y0 equal ${yi} variable y0 equal 2.85332814427712 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.81264709193698 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.86744134398797 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1176 -2.9871562 -2.190803 -2.1641552 1177 -2.9871562 -2.190803 -2.1181632 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 32 x ${x0} set atom 32 x 5.90086858232013 1 settings made for x set atom $i y ${y0} set atom 32 y ${y0} set atom 32 y 2.85332814427712 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 63 variable x0 equal ${xi} variable x0 equal 0.987933591205408 variable y0 equal ${yi} variable y0 equal 5.5415678853293 set atom $i x ${xnew} set atom 63 x ${xnew} set atom 63 x 0.912841990787317 1 settings made for x set atom $i y ${ynew} set atom 63 y ${ynew} set atom 63 y 5.49567404930788 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1177 -2.9871562 -2.190803 -2.1181632 1178 -2.9871562 -2.190803 -2.1626279 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 63 x ${x0} set atom 63 x 0.987933591205408 1 settings made for x set atom $i y ${y0} set atom 63 y ${y0} set atom 63 y 5.5415678853293 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 49 variable x0 equal ${xi} variable x0 equal 4.29979468662949 variable y0 equal ${yi} variable y0 equal 3.68506254716051 set atom $i x ${xnew} set atom 49 x ${xnew} set atom 49 x 4.3912913926384 1 settings made for x set atom $i y ${ynew} set atom 49 y ${ynew} set atom 49 y 3.66139539046419 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1178 -2.9871562 -2.190803 -2.1626279 1179 -2.9871562 -2.190803 -2.1739042 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 49 x ${x0} set atom 49 x 4.29979468662949 1 settings made for x set atom $i y ${y0} set atom 49 y ${y0} set atom 49 y 3.68506254716051 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.70009867151213 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.76263666504785 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1179 -2.9871562 -2.190803 -2.1739042 1180 -2.9871562 -2.190803 -2.1553483 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.58530928969164 variable y0 equal ${yi} variable y0 equal 2.75449854108194 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.50656530737658 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.78213430615762 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1180 -2.9871562 -2.190803 -2.1553483 1181 -2.9871562 -2.190803 -2.1656613 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 24 x ${x0} set atom 24 x 1.58530928969164 1 settings made for x set atom $i y ${y0} set atom 24 y ${y0} set atom 24 y 2.75449854108194 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.31064851680662 variable y0 equal ${yi} variable y0 equal 1.91864991567201 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.22675153413679 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.97428019425935 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1181 -2.9871562 -2.190803 -2.1656613 1182 -2.9871562 -2.190803 -2.1049158 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 31 x ${x0} set atom 31 x 5.31064851680662 1 settings made for x set atom $i y ${y0} set atom 31 y ${y0} set atom 31 y 1.91864991567201 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 41 variable x0 equal ${xi} variable x0 equal 0.0739950656890791 variable y0 equal ${yi} variable y0 equal 3.67012049718035 set atom $i x ${xnew} set atom 41 x ${xnew} set atom 41 x 0.112804532051079 1 settings made for x set atom $i y ${ynew} set atom 41 y ${ynew} set atom 41 y 3.63683203024996 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1182 -2.9871562 -2.190803 -2.1049158 1183 -2.9871562 -2.190803 -2.175116 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 41 x ${x0} set atom 41 x 0.0739950656890791 1 settings made for x set atom $i y ${y0} set atom 41 y ${y0} set atom 41 y 3.67012049718035 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.08689599949867 variable y0 equal ${yi} variable y0 equal 4.81755102032586 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 8.99956400115043 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.91183400505944 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1183 -2.9871562 -2.190803 -2.175116 1184 -2.9871562 -2.190803 -2.0565012 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 58 x ${x0} set atom 58 x 9.08689599949867 1 settings made for x set atom $i y ${y0} set atom 58 y ${y0} set atom 58 y 4.81755102032586 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.46753388483297 variable y0 equal ${yi} variable y0 equal 0.0335806965827942 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.44639998514425 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y 0.0933499455451965 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1184 -2.9871562 -2.190803 -2.0565012 1185 -2.9871562 -2.190803 -2.1816823 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.46753388483297 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.0335806965827942 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.33299971897813 variable y0 equal ${yi} variable y0 equal 1.87642453095979 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.37364662964555 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.90598655126161 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1185 -2.9871562 -2.190803 -2.1816823 1186 -2.9871562 -2.190803 -2.1780907 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.33299971897813 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.87642453095979 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 93 variable x0 equal ${xi} variable x0 equal 6.37491369961817 variable y0 equal ${yi} variable y0 equal 7.49044490185045 set atom $i x ${xnew} set atom 93 x ${xnew} set atom 93 x 6.45546932934839 1 settings made for x set atom $i y ${ynew} set atom 93 y ${ynew} set atom 93 y 7.46753717985414 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1186 -2.9871562 -2.190803 -2.1780907 1187 -2.9871562 -2.190803 -2.1984487 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.19844868169189 variable naccept equal ${increment} variable naccept equal 314 next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.302839982893 variable y0 equal ${yi} variable y0 equal 0.902523060548633 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.3395722869892 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.949974997747272 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1187 -2.9871562 -2.1984487 -2.1984487 1188 -2.9871562 -2.1984487 -2.1865853 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 20 x ${x0} set atom 20 x 10.302839982893 1 settings made for x set atom $i y ${y0} set atom 20 y ${y0} set atom 20 y 0.902523060548633 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.16654193121941 variable y0 equal ${yi} variable y0 equal 6.51635446087352 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 9.15111655909569 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.52915453449718 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1188 -2.9871562 -2.1984487 -2.1865853 1189 -2.9871562 -2.1984487 -2.2000649 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.20006491638399 variable naccept equal ${increment} variable naccept equal 315 next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.30100279251004 variable y0 equal ${yi} variable y0 equal 7.47468527879977 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.24694568315411 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.53342558470034 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1189 -2.9871562 -2.2000649 -2.2000649 1190 -2.9871562 -2.2000649 -2.0642401 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.30100279251004 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.47468527879977 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 10 variable x0 equal ${xi} variable x0 equal 4.86377175688087 variable y0 equal ${yi} variable y0 equal 0.979123874414294 set atom $i x ${xnew} set atom 10 x ${xnew} set atom 10 x 4.80188562511741 1 settings made for x set atom $i y ${ynew} set atom 10 y ${ynew} set atom 10 y 0.909176393258899 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1190 -2.9871562 -2.2000649 -2.0642401 1191 -2.9871562 -2.2000649 -2.2053168 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.20531678088674 variable naccept equal ${increment} variable naccept equal 316 next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.48253180264112 variable y0 equal ${yi} variable y0 equal 1.83061694285935 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.4705833124983 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.90757302424973 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1191 -2.9871562 -2.2053168 -2.2053168 1192 -2.9871562 -2.2053168 -2.164935 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 39 x ${x0} set atom 39 x 9.48253180264112 1 settings made for x set atom $i y ${y0} set atom 39 y ${y0} set atom 39 y 1.83061694285935 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 12 variable x0 equal ${xi} variable x0 equal 5.85675258595935 variable y0 equal ${yi} variable y0 equal 0.888840575921863 set atom $i x ${xnew} set atom 12 x ${xnew} set atom 12 x 5.93171240050784 1 settings made for x set atom $i y ${ynew} set atom 12 y ${ynew} set atom 12 y 0.816528971898883 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1192 -2.9871562 -2.2053168 -2.164935 1193 -2.9871562 -2.2053168 -2.1536106 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 12 x ${x0} set atom 12 x 5.85675258595935 1 settings made for x set atom $i y ${y0} set atom 12 y ${y0} set atom 12 y 0.888840575921863 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 99 variable x0 equal ${xi} variable x0 equal 9.79539506910918 variable y0 equal ${yi} variable y0 equal 7.31491797294879 set atom $i x ${xnew} set atom 99 x ${xnew} set atom 99 x 9.7112571763861 1 settings made for x set atom $i y ${ynew} set atom 99 y ${ynew} set atom 99 y 7.38156818475986 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1193 -2.9871562 -2.2053168 -2.1536106 1194 -2.9871562 -2.2053168 -2.2096759 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.20967590758971 variable naccept equal ${increment} variable naccept equal 317 next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.54351456640837 variable y0 equal ${yi} variable y0 equal 3.68936000628603 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.45224042414305 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.76627267165316 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1194 -2.9871562 -2.2096759 -2.2096759 1195 -2.9871562 -2.2096759 -2.1614827 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 59 x ${x0} set atom 59 x 9.54351456640837 1 settings made for x set atom $i y ${y0} set atom 59 y ${y0} set atom 59 y 3.68936000628603 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 9 variable x0 equal ${xi} variable x0 equal 4.31488733370514 variable y0 equal ${yi} variable y0 equal 0.0164698362350535 set atom $i x ${xnew} set atom 9 x ${xnew} set atom 9 x 4.35656082709045 1 settings made for x set atom $i y ${ynew} set atom 9 y ${ynew} set atom 9 y 0.10943429470063 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1195 -2.9871562 -2.2096759 -2.1614827 1196 -2.9871562 -2.2096759 -2.1445307 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 9 x ${x0} set atom 9 x 4.31488733370514 1 settings made for x set atom $i y ${y0} set atom 9 y ${y0} set atom 9 y 0.0164698362350535 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 8 variable x0 equal ${xi} variable x0 equal 3.71182399312144 variable y0 equal ${yi} variable y0 equal 1.11174833368096 set atom $i x ${xnew} set atom 8 x ${xnew} set atom 8 x 3.7561781100381 1 settings made for x set atom $i y ${ynew} set atom 8 y ${ynew} set atom 8 y 1.17933736633095 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1196 -2.9871562 -2.2096759 -2.1445307 1197 -2.9871562 -2.2096759 -2.1477036 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 8 x ${x0} set atom 8 x 3.71182399312144 1 settings made for x set atom $i y ${y0} set atom 8 y ${y0} set atom 8 y 1.11174833368096 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.87741336464225 variable y0 equal ${yi} variable y0 equal 6.4556893421792 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.86141483425437 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.52078018919458 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1197 -2.9871562 -2.2096759 -2.1477036 1198 -2.9871562 -2.2096759 -2.2010059 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.87741336464225 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.4556893421792 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.1148146752378 variable y0 equal ${yi} variable y0 equal 4.54698911065027 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.0419092301389 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.59138042086527 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1198 -2.9871562 -2.2096759 -2.2010059 1199 -2.9871562 -2.2096759 -2.19612 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 60 x ${x0} set atom 60 x 10.1148146752378 1 settings made for x set atom $i y ${y0} set atom 60 y ${y0} set atom 60 y 4.54698911065027 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 86 variable x0 equal ${xi} variable x0 equal 2.73339517314864 variable y0 equal ${yi} variable y0 equal 8.40177918590603 set atom $i x ${xnew} set atom 86 x ${xnew} set atom 86 x 2.71264111001922 1 settings made for x set atom $i y ${ynew} set atom 86 y ${ynew} set atom 86 y 8.37165092147884 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1199 -2.9871562 -2.2096759 -2.19612 1200 -2.9871562 -2.2096759 -2.2106296 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.21062956346136 variable naccept equal ${increment} variable naccept equal 318 next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.83145104844999 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.60614227408334 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1200 -2.9871562 -2.2106296 -2.2106296 1201 -2.9871562 -2.2106296 -2.1555903 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.80623258868343 variable y0 equal ${yi} variable y0 equal 6.50073292986383 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.75035911122448 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.55652973190774 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1201 -2.9871562 -2.2106296 -2.1555903 1202 -2.9871562 -2.2106296 -2.190058 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 68 x ${x0} set atom 68 x 3.80623258868343 1 settings made for x set atom $i y ${y0} set atom 68 y ${y0} set atom 68 y 6.50073292986383 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.90265085656634 variable y0 equal ${yi} variable y0 equal 6.60202899710169 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 5.96878697831622 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.53832680717936 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1202 -2.9871562 -2.2106296 -2.190058 1203 -2.9871562 -2.2106296 -2.221077 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.22107699955379 variable naccept equal ${increment} variable naccept equal 319 next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.80623258868343 variable y0 equal ${yi} variable y0 equal 6.50073292986383 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.79372576991207 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.40643674866189 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1203 -2.9871562 -2.221077 -2.221077 1204 -2.9871562 -2.221077 -2.1824982 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 68 x ${x0} set atom 68 x 3.80623258868343 1 settings made for x set atom $i y ${y0} set atom 68 y ${y0} set atom 68 y 6.50073292986383 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.31808795690099 variable y0 equal ${yi} variable y0 equal 5.6091846699019 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.27674256324331 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.69314532225328 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1204 -2.9871562 -2.221077 -2.1824982 1205 -2.9871562 -2.221077 -2.1761736 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 67 x ${x0} set atom 67 x 3.31808795690099 1 settings made for x set atom $i y ${y0} set atom 67 y ${y0} set atom 67 y 5.6091846699019 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.11815181096249 variable y0 equal ${yi} variable y0 equal 7.44427507248187 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.17432607730084 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.40014324512744 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1205 -2.9871562 -2.221077 -2.1761736 1206 -2.9871562 -2.221077 -2.2091438 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.11815181096249 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.44427507248187 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.12744101880885 variable y0 equal ${yi} variable y0 equal 6.56631985441675 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 8.09524523614741 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.66529742018213 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1206 -2.9871562 -2.221077 -2.2091438 1207 -2.9871562 -2.221077 -2.1813349 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 76 x ${x0} set atom 76 x 8.12744101880885 1 settings made for x set atom $i y ${y0} set atom 76 y ${y0} set atom 76 y 6.56631985441675 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.15771750847207 variable y0 equal ${yi} variable y0 equal 7.45649659958148 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.13920235077249 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.50778686132693 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1207 -2.9871562 -2.221077 -2.1813349 1208 -2.9871562 -2.221077 -2.208512 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.15771750847207 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.45649659958148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.570630665222075 variable y0 equal ${yi} variable y0 equal 0.909747691858138 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.502702804008391 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.906130023706282 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1208 -2.9871562 -2.221077 -2.208512 1209 -2.9871562 -2.221077 -2.1984798 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.570630665222075 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.909747691858138 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.76206280509119 variable y0 equal ${yi} variable y0 equal 4.61360334509775 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.80759401837473 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.6440585290806 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1209 -2.9871562 -2.221077 -2.1984798 1210 -2.9871562 -2.221077 -2.2283724 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.22837236137058 variable naccept equal ${increment} variable naccept equal 320 next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.15771750847207 variable y0 equal ${yi} variable y0 equal 7.45649659958148 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.25474564472543 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.51284643736148 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1210 -2.9871562 -2.2283724 -2.2283724 1211 -2.9871562 -2.2283724 -2.1922098 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.15771750847207 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.45649659958148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.302839982893 variable y0 equal ${yi} variable y0 equal 0.902523060548633 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.3461343888302 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.92704143117699 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1211 -2.9871562 -2.2283724 -2.1922098 1212 -2.9871562 -2.2283724 -2.213443 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 20 x ${x0} set atom 20 x 10.302839982893 1 settings made for x set atom $i y ${y0} set atom 20 y ${y0} set atom 20 y 0.902523060548633 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.24420675992527 variable y0 equal ${yi} variable y0 equal 3.73567457957399 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.25556523561039 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.67408250136507 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1212 -2.9871562 -2.2283724 -2.213443 1213 -2.9871562 -2.2283724 -2.2212972 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.24420675992527 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.73567457957399 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.95025718807079 variable y0 equal ${yi} variable y0 equal 0.949378951299518 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.93181231616832 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 0.882427306878894 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1213 -2.9871562 -2.2283724 -2.2212972 1214 -2.9871562 -2.2283724 -2.2222423 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.95025718807079 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.949378951299518 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 36 variable x0 equal ${xi} variable x0 equal 8.03611046670772 variable y0 equal ${yi} variable y0 equal 2.66520280810693 set atom $i x ${xnew} set atom 36 x ${xnew} set atom 36 x 7.95175537465908 1 settings made for x set atom $i y ${ynew} set atom 36 y ${ynew} set atom 36 y 2.62004034491876 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1214 -2.9871562 -2.2283724 -2.2222423 1215 -2.9871562 -2.2283724 -2.1973477 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 36 x ${x0} set atom 36 x 8.03611046670772 1 settings made for x set atom $i y ${y0} set atom 36 y ${y0} set atom 36 y 2.66520280810693 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 84 variable x0 equal ${xi} variable x0 equal 1.63794375538607 variable y0 equal ${yi} variable y0 equal 8.371298693791 set atom $i x ${xnew} set atom 84 x ${xnew} set atom 84 x 1.65366426586886 1 settings made for x set atom $i y ${ynew} set atom 84 y ${ynew} set atom 84 y 8.31177349008617 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1215 -2.9871562 -2.2283724 -2.1973477 1216 -2.9871562 -2.2283724 -2.2154126 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 84 x ${x0} set atom 84 x 1.63794375538607 1 settings made for x set atom $i y ${y0} set atom 84 y ${y0} set atom 84 y 8.371298693791 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.67167732913923 variable y0 equal ${yi} variable y0 equal 2.85737189027169 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.75099048812818 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 2.79699876281121 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1216 -2.9871562 -2.2283724 -2.2154126 1217 -2.9871562 -2.2283724 -2.1817044 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 26 x ${x0} set atom 26 x 2.67167732913923 1 settings made for x set atom $i y ${y0} set atom 26 y ${y0} set atom 26 y 2.85737189027169 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.4157506708166 variable y0 equal ${yi} variable y0 equal 6.43439372316829 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.4257452134153 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.33482057587138 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1217 -2.9871562 -2.2283724 -2.1817044 1218 -2.9871562 -2.2283724 -2.159948 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.4157506708166 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.43439372316829 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.41745940843489 variable y0 equal ${yi} variable y0 equal 5.54884942715364 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.34006394544508 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.55278112833696 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1218 -2.9871562 -2.2283724 -2.159948 1219 -2.9871562 -2.2283724 -2.2132233 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.41745940843489 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.54884942715364 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 75 variable x0 equal ${xi} variable x0 equal 7.51190109092961 variable y0 equal ${yi} variable y0 equal 5.64376431648928 set atom $i x ${xnew} set atom 75 x ${xnew} set atom 75 x 7.54070384342442 1 settings made for x set atom $i y ${ynew} set atom 75 y ${ynew} set atom 75 y 5.62746680920321 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1219 -2.9871562 -2.2283724 -2.2132233 1220 -2.9871562 -2.2283724 -2.2324641 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.23246413475692 variable naccept equal ${increment} variable naccept equal 321 next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.36479252655717 variable y0 equal ${yi} variable y0 equal 7.37975311603808 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.36001088698121 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.45248247709536 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1220 -2.9871562 -2.2324641 -2.2324641 1221 -2.9871562 -2.2324641 -2.2246301 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.36479252655717 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.37975311603808 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 8 variable x0 equal ${xi} variable x0 equal 3.71182399312144 variable y0 equal ${yi} variable y0 equal 1.11174833368096 set atom $i x ${xnew} set atom 8 x ${xnew} set atom 8 x 3.65691963950282 1 settings made for x set atom $i y ${ynew} set atom 8 y ${ynew} set atom 8 y 1.01446969102654 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1221 -2.9871562 -2.2324641 -2.2246301 1222 -2.9871562 -2.2324641 -2.2358475 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2436.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.23584753929906 variable naccept equal ${increment} variable naccept equal 322 next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.96819095888778 variable y0 equal ${yi} variable y0 equal 2.85498608323434 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 6.94860477724716 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.90535217496255 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1222 -2.9871562 -2.2358475 -2.2358475 1223 -2.9871562 -2.2358475 -2.2100285 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.96819095888778 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.85498608323434 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.80759401837473 variable y0 equal ${yi} variable y0 equal 4.6440585290806 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.81420859614496 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.69690801257059 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1223 -2.9871562 -2.2358475 -2.2100285 1224 -2.9871562 -2.2358475 -2.2275377 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.80759401837473 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.6440585290806 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.87741336464225 variable y0 equal ${yi} variable y0 equal 6.4556893421792 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.8661227667266 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.38212358490457 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1224 -2.9871562 -2.2358475 -2.2275377 1225 -2.9871562 -2.2358475 -2.2179744 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.87741336464225 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.4556893421792 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.11815181096249 variable y0 equal ${yi} variable y0 equal 7.44427507248187 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.03605349381619 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.40198042717242 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1225 -2.9871562 -2.2358475 -2.2179744 1226 -2.9871562 -2.2358475 -2.220358 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.11815181096249 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.44427507248187 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.85146122812566 variable y0 equal ${yi} variable y0 equal 8.31532715477046 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.81688043712911 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.38843538679179 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1226 -2.9871562 -2.2358475 -2.220358 1227 -2.9871562 -2.2358475 -2.2557561 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.25575614491694 variable naccept equal ${increment} variable naccept equal 323 next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.18878640571939 variable y0 equal ${yi} variable y0 equal 5.5354710811873 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.23979663292276 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.5713402385016 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1227 -2.9871562 -2.2557561 -2.2557561 1228 -2.9871562 -2.2557561 -2.2559413 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.25594125683808 variable naccept equal ${increment} variable naccept equal 324 next iter jump SELF loop variable i equal ${irandom} variable i equal 84 variable x0 equal ${xi} variable x0 equal 1.63794375538607 variable y0 equal ${yi} variable y0 equal 8.371298693791 set atom $i x ${xnew} set atom 84 x ${xnew} set atom 84 x 1.70415016293307 1 settings made for x set atom $i y ${ynew} set atom 84 y ${ynew} set atom 84 y 8.44770802177486 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1228 -2.9871562 -2.2559413 -2.2559413 1229 -2.9871562 -2.2559413 -2.2209577 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 84 x ${x0} set atom 84 x 1.63794375538607 1 settings made for x set atom $i y ${y0} set atom 84 y ${y0} set atom 84 y 8.371298693791 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.30100279251004 variable y0 equal ${yi} variable y0 equal 7.47468527879977 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.22262982526685 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.47078178253436 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1229 -2.9871562 -2.2559413 -2.2209577 1230 -2.9871562 -2.2559413 -2.1343966 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.30100279251004 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.47468527879977 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.59001860499163 variable y0 equal ${yi} variable y0 equal 4.68076303357049 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.68844104885836 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.64276124590798 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1230 -2.9871562 -2.2559413 -2.1343966 1231 -2.9871562 -2.2559413 -2.2472425 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.59001860499163 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.68076303357049 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.33299971897813 variable y0 equal ${yi} variable y0 equal 1.87642453095979 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.28738315184327 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.92619390866823 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1231 -2.9871562 -2.2559413 -2.2472425 1232 -2.9871562 -2.2559413 -2.2581602 Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms 2383.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.2581601871335 variable naccept equal ${increment} variable naccept equal 325 next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.23979663292276 variable y0 equal ${yi} variable y0 equal 5.5713402385016 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.27958897987711 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.48568785135942 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1232 -2.9871562 -2.2581602 -2.2581602 1233 -2.9871562 -2.2581602 -2.2189432 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.23979663292276 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.5713402385016 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.90086858232013 variable y0 equal ${yi} variable y0 equal 2.85332814427712 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.87586530406467 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.79271024438241 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1233 -2.9871562 -2.2581602 -2.2189432 1234 -2.9871562 -2.2581602 -2.2567729 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 32 x ${x0} set atom 32 x 5.90086858232013 1 settings made for x set atom $i y ${y0} set atom 32 y ${y0} set atom 32 y 2.85332814427712 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.55546174207155 variable y0 equal ${yi} variable y0 equal 5.67337435429292 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.51134479203646 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.72523403113084 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1234 -2.9871562 -2.2581602 -2.2567729 1235 -2.9871562 -2.2581602 -2.2170226 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.55546174207155 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.67337435429292 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 9 variable x0 equal ${xi} variable x0 equal 4.31488733370514 variable y0 equal ${yi} variable y0 equal 0.0164698362350535 set atom $i x ${xnew} set atom 9 x ${xnew} set atom 9 x 4.22231224854202 1 settings made for x set atom $i y ${ynew} set atom 9 y ${ynew} set atom 9 y -0.0545361280441213 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1235 -2.9871562 -2.2581602 -2.2170226 1236 -2.9871562 -2.2581602 -2.2602417 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.26024174237713 variable naccept equal ${increment} variable naccept equal 326 next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.64328949609225 variable y0 equal ${yi} variable y0 equal 7.40728055563236 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.56475793281024 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.31500361290241 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1236 -2.9871562 -2.2602417 -2.2602417 1237 -2.9871562 -2.2602417 -2.1419089 Loop time of 4.22001e-05 on 1 procs for 1 steps with 100 atoms 2369.7% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 97 x ${x0} set atom 97 x 8.64328949609225 1 settings made for x set atom $i y ${y0} set atom 97 y ${y0} set atom 97 y 7.40728055563236 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.96819095888778 variable y0 equal ${yi} variable y0 equal 2.85498608323434 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 6.99741536656066 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.91690255376199 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1237 -2.9871562 -2.2602417 -2.1419089 1238 -2.9871562 -2.2602417 -2.2357591 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.96819095888778 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.85498608323434 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 73 variable x0 equal ${xi} variable x0 equal 6.42834627150613 variable y0 equal ${yi} variable y0 equal 5.4691439980765 set atom $i x ${xnew} set atom 73 x ${xnew} set atom 73 x 6.41675959347802 1 settings made for x set atom $i y ${ynew} set atom 73 y ${ynew} set atom 73 y 5.38491784279543 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1238 -2.9871562 -2.2602417 -2.2357591 1239 -2.9871562 -2.2602417 -2.1916454 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 73 x ${x0} set atom 73 x 6.42834627150613 1 settings made for x set atom $i y ${y0} set atom 73 y ${y0} set atom 73 y 5.4691439980765 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.9899615760564 variable y0 equal ${yi} variable y0 equal 4.5907792245762 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 5.97210016210071 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.56270364874765 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1239 -2.9871562 -2.2602417 -2.1916454 1240 -2.9871562 -2.2602417 -2.2481044 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 5.9899615760564 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.5907792245762 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 74 variable x0 equal ${xi} variable x0 equal 7.09398345032379 variable y0 equal ${yi} variable y0 equal 6.52802731529703 set atom $i x ${xnew} set atom 74 x ${xnew} set atom 74 x 7.17512662687942 1 settings made for x set atom $i y ${ynew} set atom 74 y ${ynew} set atom 74 y 6.56038860813608 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1240 -2.9871562 -2.2602417 -2.2481044 1241 -2.9871562 -2.2602417 -2.2080927 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 74 x ${x0} set atom 74 x 7.09398345032379 1 settings made for x set atom $i y ${y0} set atom 74 y ${y0} set atom 74 y 6.52802731529703 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.67167732913923 variable y0 equal ${yi} variable y0 equal 2.85737189027169 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.73375411231947 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 2.86374088498452 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1241 -2.9871562 -2.2602417 -2.2080927 1242 -2.9871562 -2.2602417 -2.2510678 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 26 x ${x0} set atom 26 x 2.67167732913923 1 settings made for x set atom $i y ${y0} set atom 26 y ${y0} set atom 26 y 2.85737189027169 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.85786454001552 variable y0 equal ${yi} variable y0 equal 2.82388043376306 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.81670362273342 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.85977786752084 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1242 -2.9871562 -2.2602417 -2.2510678 1243 -2.9871562 -2.2602417 -2.2641393 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.26413933369353 variable naccept equal ${increment} variable naccept equal 327 next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.24420675992527 variable y0 equal ${yi} variable y0 equal 3.73567457957399 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.18212960719624 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.76855502886903 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1243 -2.9871562 -2.2641393 -2.2641393 1244 -2.9871562 -2.2641393 -2.2516014 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.24420675992527 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.73567457957399 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.59001860499163 variable y0 equal ${yi} variable y0 equal 4.68076303357049 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.5284035909154 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.62692680710717 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1244 -2.9871562 -2.2641393 -2.2516014 1245 -2.9871562 -2.2641393 -2.2390223 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.59001860499163 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.68076303357049 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.8951647126609 variable y0 equal ${yi} variable y0 equal 2.85868977280953 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 4.86332031130134 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.87644312354424 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1245 -2.9871562 -2.2641393 -2.2390223 1246 -2.9871562 -2.2641393 -2.2627684 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 30 x ${x0} set atom 30 x 4.8951647126609 1 settings made for x set atom $i y ${y0} set atom 30 y ${y0} set atom 30 y 2.85868977280953 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 9 variable x0 equal ${xi} variable x0 equal 4.22231224854202 variable y0 equal ${yi} variable y0 equal -0.0545361280441213 set atom $i x ${xnew} set atom 9 x ${xnew} set atom 9 x 4.19449908812256 1 settings made for x set atom $i y ${ynew} set atom 9 y ${ynew} set atom 9 y -0.136451959609978 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1246 -2.9871562 -2.2641393 -2.2627684 1247 -2.9871562 -2.2641393 -2.2220546 Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 9 x ${x0} set atom 9 x 4.22231224854202 1 settings made for x set atom $i y ${y0} set atom 9 y ${y0} set atom 9 y -0.0545361280441213 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.48253180264112 variable y0 equal ${yi} variable y0 equal 1.83061694285935 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.45257457970258 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.92471433065003 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1247 -2.9871562 -2.2641393 -2.2220546 1248 -2.9871562 -2.2641393 -2.1917339 Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 39 x ${x0} set atom 39 x 9.48253180264112 1 settings made for x set atom $i y ${y0} set atom 39 y ${y0} set atom 39 y 1.83061694285935 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.70410596330595 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.7235132967846 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1248 -2.9871562 -2.2641393 -2.1917339 1249 -2.9871562 -2.2641393 -2.2516295 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.1610254410764 variable y0 equal ${yi} variable y0 equal 8.2609955064207 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.1230198387166 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.20946265377101 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1249 -2.9871562 -2.2641393 -2.2516295 1250 -2.9871562 -2.2641393 -2.2195672 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 100 x ${x0} set atom 100 x 10.1610254410764 1 settings made for x set atom $i y ${y0} set atom 100 y ${y0} set atom 100 y 8.2609955064207 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.90086858232013 variable y0 equal ${yi} variable y0 equal 2.85332814427712 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.84723316390506 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.7901114818702 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1250 -2.9871562 -2.2641393 -2.2195672 1251 -2.9871562 -2.2641393 -2.2499573 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 32 x ${x0} set atom 32 x 5.90086858232013 1 settings made for x set atom $i y ${y0} set atom 32 y ${y0} set atom 32 y 2.85332814427712 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.95025718807079 variable y0 equal ${yi} variable y0 equal 0.949378951299518 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.97344384788372 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 0.881362481820911 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1251 -2.9871562 -2.2641393 -2.2499573 1252 -2.9871562 -2.2641393 -2.2529527 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.95025718807079 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.949378951299518 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.56329734165441 variable y0 equal ${yi} variable y0 equal 3.72885418696535 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.46856366235982 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.79739284081591 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1252 -2.9871562 -2.2641393 -2.2529527 1253 -2.9871562 -2.2641393 -2.2018749 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 55 x ${x0} set atom 55 x 7.56329734165441 1 settings made for x set atom $i y ${y0} set atom 55 y ${y0} set atom 55 y 3.72885418696535 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.22492432355444 variable y0 equal ${yi} variable y0 equal 0.0240613460540867 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.16117138623755 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y 0.0532149553299046 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1253 -2.9871562 -2.2641393 -2.2018749 1254 -2.9871562 -2.2641393 -2.2607188 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 7 x ${x0} set atom 7 x 3.22492432355444 1 settings made for x set atom $i y ${y0} set atom 7 y ${y0} set atom 7 y 0.0240613460540867 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 73 variable x0 equal ${xi} variable x0 equal 6.42834627150613 variable y0 equal ${yi} variable y0 equal 5.4691439980765 set atom $i x ${xnew} set atom 73 x ${xnew} set atom 73 x 6.42781027077752 1 settings made for x set atom $i y ${ynew} set atom 73 y ${ynew} set atom 73 y 5.37894008104998 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1254 -2.9871562 -2.2641393 -2.2607188 1255 -2.9871562 -2.2641393 -2.1949611 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 73 x ${x0} set atom 73 x 6.42834627150613 1 settings made for x set atom $i y ${y0} set atom 73 y ${y0} set atom 73 y 5.4691439980765 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 86 variable x0 equal ${xi} variable x0 equal 2.71264111001922 variable y0 equal ${yi} variable y0 equal 8.37165092147884 set atom $i x ${xnew} set atom 86 x ${xnew} set atom 86 x 2.79288068016006 1 settings made for x set atom $i y ${ynew} set atom 86 y ${ynew} set atom 86 y 8.41447931446132 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1255 -2.9871562 -2.2641393 -2.1949611 1256 -2.9871562 -2.2641393 -2.2486792 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 86 x ${x0} set atom 86 x 2.71264111001922 1 settings made for x set atom $i y ${y0} set atom 86 y ${y0} set atom 86 y 8.37165092147884 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 36 variable x0 equal ${xi} variable x0 equal 8.03611046670772 variable y0 equal ${yi} variable y0 equal 2.66520280810693 set atom $i x ${xnew} set atom 36 x ${xnew} set atom 36 x 8.12319112418987 1 settings made for x set atom $i y ${ynew} set atom 36 y ${ynew} set atom 36 y 2.56672639819482 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1256 -2.9871562 -2.2641393 -2.2486792 1257 -2.9871562 -2.2641393 -2.0638579 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 36 x ${x0} set atom 36 x 8.03611046670772 1 settings made for x set atom $i y ${y0} set atom 36 y ${y0} set atom 36 y 2.66520280810693 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.40156468867379 variable y0 equal ${yi} variable y0 equal 0.00304889678955437 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.30656300305444 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y 0.0413601040840185 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1257 -2.9871562 -2.2641393 -2.0638579 1258 -2.9871562 -2.2641393 -2.2329803 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.40156468867379 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 0.00304889678955437 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.4157506708166 variable y0 equal ${yi} variable y0 equal 6.43439372316829 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.4462064150831 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.52069752947322 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1258 -2.9871562 -2.2641393 -2.2329803 1259 -2.9871562 -2.2641393 -2.2259028 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.4157506708166 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.43439372316829 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.07315314093276 variable y0 equal ${yi} variable y0 equal 4.61574550026819 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.01434378901168 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.64195888394281 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1259 -2.9871562 -2.2641393 -2.2259028 1260 -2.9871562 -2.2641393 -2.2627331 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.07315314093276 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.61574550026819 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.59001860499163 variable y0 equal ${yi} variable y0 equal 4.68076303357049 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.49514547467013 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.74509135836526 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1260 -2.9871562 -2.2641393 -2.2627331 1261 -2.9871562 -2.2641393 -2.2304731 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.59001860499163 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.68076303357049 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.23979663292276 variable y0 equal ${yi} variable y0 equal 5.5713402385016 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.24681302944528 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.64284211342531 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1261 -2.9871562 -2.2641393 -2.2304731 1262 -2.9871562 -2.2641393 -2.2499629 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.23979663292276 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.5713402385016 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.40156468867379 variable y0 equal ${yi} variable y0 equal 0.00304889678955437 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.44702336310464 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y 0.0539503574371374 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1262 -2.9871562 -2.2641393 -2.2499629 1263 -2.9871562 -2.2641393 -2.2564851 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.40156468867379 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 0.00304889678955437 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.28738315184327 variable y0 equal ${yi} variable y0 equal 1.92619390866823 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.26792713482591 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 2.01969408176012 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1263 -2.9871562 -2.2641393 -2.2564851 1264 -2.9871562 -2.2641393 -2.2371548 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.28738315184327 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.92619390866823 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 98 variable x0 equal ${xi} variable x0 equal 9.16308992821724 variable y0 equal ${yi} variable y0 equal 8.28462620891627 set atom $i x ${xnew} set atom 98 x ${xnew} set atom 98 x 9.24388344008476 1 settings made for x set atom $i y ${ynew} set atom 98 y ${ynew} set atom 98 y 8.37938709177073 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1264 -2.9871562 -2.2641393 -2.2371548 1265 -2.9871562 -2.2641393 -2.2342051 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 98 x ${x0} set atom 98 x 9.16308992821724 1 settings made for x set atom $i y ${y0} set atom 98 y ${y0} set atom 98 y 8.28462620891627 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.4157506708166 variable y0 equal ${yi} variable y0 equal 6.43439372316829 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.4859660152456 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.38132144943706 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1265 -2.9871562 -2.2641393 -2.2342051 1266 -2.9871562 -2.2641393 -2.2041796 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.4157506708166 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.43439372316829 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.9899615760564 variable y0 equal ${yi} variable y0 equal 4.5907792245762 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 6.004888450694 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.58078075999185 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1266 -2.9871562 -2.2641393 -2.2041796 1267 -2.9871562 -2.2641393 -2.2604667 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 5.9899615760564 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.5907792245762 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.95025718807079 variable y0 equal ${yi} variable y0 equal 0.949378951299518 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.87421489356853 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 0.97682250331673 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1267 -2.9871562 -2.2641393 -2.2604667 1268 -2.9871562 -2.2641393 -2.2588769 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.95025718807079 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.949378951299518 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 82 variable x0 equal ${xi} variable x0 equal 0.44764589826193 variable y0 equal ${yi} variable y0 equal 8.32563534893091 set atom $i x ${xnew} set atom 82 x ${xnew} set atom 82 x 0.353593810001279 1 settings made for x set atom $i y ${ynew} set atom 82 y ${ynew} set atom 82 y 8.35459135688837 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1268 -2.9871562 -2.2641393 -2.2588769 1269 -2.9871562 -2.2641393 -2.22389 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 82 x ${x0} set atom 82 x 0.44764589826193 1 settings made for x set atom $i y ${y0} set atom 82 y ${y0} set atom 82 y 8.32563534893091 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.12744101880885 variable y0 equal ${yi} variable y0 equal 6.56631985441675 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 8.12733483909465 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.48814352289667 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1269 -2.9871562 -2.2641393 -2.22389 1270 -2.9871562 -2.2641393 -2.2332934 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 76 x ${x0} set atom 76 x 8.12744101880885 1 settings made for x set atom $i y ${y0} set atom 76 y ${y0} set atom 76 y 6.56631985441675 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.67167732913923 variable y0 equal ${yi} variable y0 equal 2.85737189027169 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.69710961778593 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 2.90977098914483 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1270 -2.9871562 -2.2641393 -2.2332934 1271 -2.9871562 -2.2641393 -2.2536615 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 26 x ${x0} set atom 26 x 2.67167732913923 1 settings made for x set atom $i y ${y0} set atom 26 y ${y0} set atom 26 y 2.85737189027169 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 9 variable x0 equal ${xi} variable x0 equal 4.22231224854202 variable y0 equal ${yi} variable y0 equal 9.25151246297687 set atom $i x ${xnew} set atom 9 x ${xnew} set atom 9 x 4.24272296507568 1 settings made for x set atom $i y ${ynew} set atom 9 y ${ynew} set atom 9 y 9.33166872966618 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1271 -2.9871562 -2.2641393 -2.2536615 1272 -2.9871562 -2.2641393 -2.2717369 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.27173693607433 variable naccept equal ${increment} variable naccept equal 328 next iter jump SELF loop variable i equal ${irandom} variable i equal 42 variable x0 equal ${xi} variable x0 equal 0.463221640983487 variable y0 equal ${yi} variable y0 equal 4.61717816943094 set atom $i x ${xnew} set atom 42 x ${xnew} set atom 42 x 0.555552907386685 1 settings made for x set atom $i y ${ynew} set atom 42 y ${ynew} set atom 42 y 4.67760973328516 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1272 -2.9871562 -2.2717369 -2.2717369 1273 -2.9871562 -2.2717369 -2.2535963 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 42 x ${x0} set atom 42 x 0.463221640983487 1 settings made for x set atom $i y ${y0} set atom 42 y ${y0} set atom 42 y 4.61717816943094 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 99 variable x0 equal ${xi} variable x0 equal 9.7112571763861 variable y0 equal ${yi} variable y0 equal 7.38156818475986 set atom $i x ${xnew} set atom 99 x ${xnew} set atom 99 x 9.65546179293273 1 settings made for x set atom $i y ${ynew} set atom 99 y ${ynew} set atom 99 y 7.35153057899738 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1273 -2.9871562 -2.2717369 -2.2535963 1274 -2.9871562 -2.2717369 -2.2611035 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 99 x ${x0} set atom 99 x 9.7112571763861 1 settings made for x set atom $i y ${y0} set atom 99 y ${y0} set atom 99 y 7.38156818475986 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.22492432355444 variable y0 equal ${yi} variable y0 equal 0.0240613460540867 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.29113070725958 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y 0.079921960830698 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1274 -2.9871562 -2.2717369 -2.2611035 1275 -2.9871562 -2.2717369 -2.239209 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 7 x ${x0} set atom 7 x 3.22492432355444 1 settings made for x set atom $i y ${y0} set atom 7 y ${y0} set atom 7 y 0.0240613460540867 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 62 variable x0 equal ${xi} variable x0 equal 0.654104717174436 variable y0 equal ${yi} variable y0 equal 6.49111358658304 set atom $i x ${xnew} set atom 62 x ${xnew} set atom 62 x 0.668957848945524 1 settings made for x set atom $i y ${ynew} set atom 62 y ${ynew} set atom 62 y 6.54954484240045 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1275 -2.9871562 -2.2717369 -2.239209 1276 -2.9871562 -2.2717369 -2.2709818 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 62 x ${x0} set atom 62 x 0.654104717174436 1 settings made for x set atom $i y ${y0} set atom 62 y ${y0} set atom 62 y 6.49111358658304 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.58530928969164 variable y0 equal ${yi} variable y0 equal 2.75449854108194 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.60449333071489 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.72373769255975 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1276 -2.9871562 -2.2717369 -2.2709818 1277 -2.9871562 -2.2717369 -2.2673763 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 24 x ${x0} set atom 24 x 1.58530928969164 1 settings made for x set atom $i y ${y0} set atom 24 y ${y0} set atom 24 y 2.75449854108194 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 74 variable x0 equal ${xi} variable x0 equal 7.09398345032379 variable y0 equal ${yi} variable y0 equal 6.52802731529703 set atom $i x ${xnew} set atom 74 x ${xnew} set atom 74 x 7.16015227118179 1 settings made for x set atom $i y ${ynew} set atom 74 y ${ynew} set atom 74 y 6.57964161173334 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1277 -2.9871562 -2.2717369 -2.2673763 1278 -2.9871562 -2.2717369 -2.2223975 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 74 x ${x0} set atom 74 x 7.09398345032379 1 settings made for x set atom $i y ${y0} set atom 74 y ${y0} set atom 74 y 6.52802731529703 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.81688043712911 variable y0 equal ${yi} variable y0 equal 8.38843538679179 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.84117488502797 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.43593072809275 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1278 -2.9871562 -2.2717369 -2.2223975 1279 -2.9871562 -2.2717369 -2.266731 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.81688043712911 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.38843538679179 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.80759401837473 variable y0 equal ${yi} variable y0 equal 4.6440585290806 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.89878665724878 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.71860878819391 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1279 -2.9871562 -2.2717369 -2.266731 1280 -2.9871562 -2.2717369 -2.2357622 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.80759401837473 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.6440585290806 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.11815181096249 variable y0 equal ${yi} variable y0 equal 7.44427507248187 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.15799492915326 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.40699431028628 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1280 -2.9871562 -2.2717369 -2.2357622 1281 -2.9871562 -2.2717369 -2.2648321 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.11815181096249 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.44427507248187 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.23979663292276 variable y0 equal ${yi} variable y0 equal 5.5713402385016 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.19356538692819 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.60187159722047 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1281 -2.9871562 -2.2717369 -2.2648321 1282 -2.9871562 -2.2717369 -2.2686995 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.23979663292276 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.5713402385016 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.28738315184327 variable y0 equal ${yi} variable y0 equal 1.92619390866823 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.38456106264802 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.93375323197908 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1282 -2.9871562 -2.2717369 -2.2686995 1283 -2.9871562 -2.2717369 -2.2296709 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.28738315184327 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.92619390866823 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.96819095888778 variable y0 equal ${yi} variable y0 equal 2.85498608323434 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 6.98549635687515 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.82734158011773 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1283 -2.9871562 -2.2717369 -2.2296709 1284 -2.9871562 -2.2717369 -2.2756356 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.27563563176765 variable naccept equal ${increment} variable naccept equal 329 next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.19226642608205 variable y0 equal ${yi} variable y0 equal 1.99900682351654 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.13038978337804 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 2.09338196895187 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1284 -2.9871562 -2.2756356 -2.2756356 1285 -2.9871562 -2.2756356 -2.1814199 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 27 x ${x0} set atom 27 x 3.19226642608205 1 settings made for x set atom $i y ${y0} set atom 27 y ${y0} set atom 27 y 1.99900682351654 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 36 variable x0 equal ${xi} variable x0 equal 8.03611046670772 variable y0 equal ${yi} variable y0 equal 2.66520280810693 set atom $i x ${xnew} set atom 36 x ${xnew} set atom 36 x 8.11225927471019 1 settings made for x set atom $i y ${ynew} set atom 36 y ${ynew} set atom 36 y 2.65674114199975 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1285 -2.9871562 -2.2756356 -2.1814199 1286 -2.9871562 -2.2756356 -2.2440216 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 36 x ${x0} set atom 36 x 8.03611046670772 1 settings made for x set atom $i y ${y0} set atom 36 y ${y0} set atom 36 y 2.66520280810693 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.81670362273342 variable y0 equal ${yi} variable y0 equal 2.85977786752084 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.76299114743358 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.89569638940194 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1286 -2.9871562 -2.2756356 -2.2440216 1287 -2.9871562 -2.2756356 -2.2672045 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.81670362273342 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.85977786752084 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.90086858232013 variable y0 equal ${yi} variable y0 equal 2.85332814427712 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.98887722451679 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.78271263810494 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1287 -2.9871562 -2.2756356 -2.2672045 1288 -2.9871562 -2.2756356 -2.2573607 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 32 x ${x0} set atom 32 x 5.90086858232013 1 settings made for x set atom $i y ${y0} set atom 32 y ${y0} set atom 32 y 2.85332814427712 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.41357705671998 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.57711692993838 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1288 -2.9871562 -2.2756356 -2.2573607 1289 -2.9871562 -2.2756356 -2.2633047 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.54407576480333 variable y0 equal ${yi} variable y0 equal 3.66106940074097 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.62332644620363 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.71625846190583 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1289 -2.9871562 -2.2756356 -2.2633047 1290 -2.9871562 -2.2756356 -2.2474629 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.54407576480333 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.66106940074097 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.6111590226346 variable y0 equal ${yi} variable y0 equal 9.22944378364413 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.6341897566968 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 9.13043157565921 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1290 -2.9871562 -2.2756356 -2.2474629 1291 -2.9871562 -2.2756356 -2.251131 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 1 x ${x0} set atom 1 x 10.6111590226346 1 settings made for x set atom $i y ${y0} set atom 1 y ${y0} set atom 1 y 9.22944378364413 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.31808795690099 variable y0 equal ${yi} variable y0 equal 5.6091846699019 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.34463325500051 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.68058136646944 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1291 -2.9871562 -2.2756356 -2.251131 1292 -2.9871562 -2.2756356 -2.237313 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 67 x ${x0} set atom 67 x 3.31808795690099 1 settings made for x set atom $i y ${y0} set atom 67 y ${y0} set atom 67 y 5.6091846699019 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 0.0669886708259583 variable y0 equal ${yi} variable y0 equal 1.86074338338441 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x 0.0228117227554322 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.82412650964326 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1292 -2.9871562 -2.2756356 -2.237313 1293 -2.9871562 -2.2756356 -2.2822732 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.28227321485435 variable naccept equal ${increment} variable naccept equal 330 next iter jump SELF loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.31808795690099 variable y0 equal ${yi} variable y0 equal 5.6091846699019 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.2683337902979 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.51339185183244 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1293 -2.9871562 -2.2822732 -2.2822732 1294 -2.9871562 -2.2822732 -2.2727613 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 67 x ${x0} set atom 67 x 3.31808795690099 1 settings made for x set atom $i y ${y0} set atom 67 y ${y0} set atom 67 y 5.6091846699019 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.50331240732442 variable y0 equal ${yi} variable y0 equal 7.44483136263156 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.55135737497579 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.42239182319903 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1294 -2.9871562 -2.2822732 -2.2727613 1295 -2.9871562 -2.2822732 -2.2793412 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 95 x ${x0} set atom 95 x 7.50331240732442 1 settings made for x set atom $i y ${y0} set atom 95 y ${y0} set atom 95 y 7.44483136263156 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.07584694067344 variable y0 equal ${yi} variable y0 equal 0.00976005792616981 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 2.0109177056919 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y 0.0753347158431925 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1295 -2.9871562 -2.2822732 -2.2793412 1296 -2.9871562 -2.2822732 -2.2641009 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 2.07584694067344 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 0.00976005792616981 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 23 variable x0 equal ${xi} variable x0 equal 1.07343188841992 variable y0 equal ${yi} variable y0 equal 1.85961672446793 set atom $i x ${xnew} set atom 23 x ${xnew} set atom 23 x 1.03936474641018 1 settings made for x set atom $i y ${ynew} set atom 23 y ${ynew} set atom 23 y 1.84491819522446 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1296 -2.9871562 -2.2822732 -2.2641009 1297 -2.9871562 -2.2822732 -2.279413 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 23 x ${x0} set atom 23 x 1.07343188841992 1 settings made for x set atom $i y ${y0} set atom 23 y ${y0} set atom 23 y 1.85961672446793 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.98549635687515 variable y0 equal ${yi} variable y0 equal 2.82734158011773 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 7.00102844515487 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.85936198207238 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1297 -2.9871562 -2.2822732 -2.279413 1298 -2.9871562 -2.2822732 -2.2780604 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.98549635687515 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.82734158011773 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.1789412740728 variable y0 equal ${yi} variable y0 equal 2.78276804658273 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.2554411295911 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.86663255664209 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1298 -2.9871562 -2.2822732 -2.2780604 1299 -2.9871562 -2.2822732 -2.261393 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.1789412740728 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.78276804658273 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.1148146752378 variable y0 equal ${yi} variable y0 equal 4.54698911065027 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.0769700292608 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.46781528347894 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1299 -2.9871562 -2.2822732 -2.261393 1300 -2.9871562 -2.2822732 -2.2513418 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 60 x ${x0} set atom 60 x 10.1148146752378 1 settings made for x set atom $i y ${y0} set atom 60 y ${y0} set atom 60 y 4.54698911065027 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.90086858232013 variable y0 equal ${yi} variable y0 equal 2.85332814427712 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.85657691915027 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.76269737454751 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1300 -2.9871562 -2.2822732 -2.2513418 1301 -2.9871562 -2.2822732 -2.2658279 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 32 x ${x0} set atom 32 x 5.90086858232013 1 settings made for x set atom $i y ${y0} set atom 32 y ${y0} set atom 32 y 2.85332814427712 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.87741336464225 variable y0 equal ${yi} variable y0 equal 6.4556893421792 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.888635989421 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.38686565891733 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1301 -2.9871562 -2.2822732 -2.2658279 1302 -2.9871562 -2.2822732 -2.266989 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.87741336464225 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.4556893421792 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.15410325844937 variable y0 equal ${yi} variable y0 equal 3.75003771348131 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 1.15774170478039 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.6504227356447 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1302 -2.9871562 -2.2822732 -2.266989 1303 -2.9871562 -2.2822732 -2.274436 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 43 x ${x0} set atom 43 x 1.15410325844937 1 settings made for x set atom $i y ${y0} set atom 43 y ${y0} set atom 43 y 3.75003771348131 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 42 variable x0 equal ${xi} variable x0 equal 0.463221640983487 variable y0 equal ${yi} variable y0 equal 4.61717816943094 set atom $i x ${xnew} set atom 42 x ${xnew} set atom 42 x 0.406589694419766 1 settings made for x set atom $i y ${ynew} set atom 42 y ${ynew} set atom 42 y 4.59818894022867 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1303 -2.9871562 -2.2822732 -2.274436 1304 -2.9871562 -2.2822732 -2.2672822 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 42 x ${x0} set atom 42 x 0.463221640983487 1 settings made for x set atom $i y ${y0} set atom 42 y ${y0} set atom 42 y 4.61717816943094 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.64134974360247 variable y0 equal ${yi} variable y0 equal 0.972303231466143 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.74028330921908 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.938222130048601 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1304 -2.9871562 -2.2822732 -2.2672822 1305 -2.9871562 -2.2822732 -2.2438255 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.64134974360247 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.972303231466143 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.22492432355444 variable y0 equal ${yi} variable y0 equal 0.0240613460540867 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.15623999595205 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y 0.0371743679046726 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1305 -2.9871562 -2.2822732 -2.2438255 1306 -2.9871562 -2.2822732 -2.2792508 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 7 x ${x0} set atom 7 x 3.22492432355444 1 settings made for x set atom $i y ${y0} set atom 7 y ${y0} set atom 7 y 0.0240613460540867 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.58530928969164 variable y0 equal ${yi} variable y0 equal 2.75449854108194 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.5379639852025 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.74500366422037 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1306 -2.9871562 -2.2822732 -2.2792508 1307 -2.9871562 -2.2822732 -2.2683027 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 24 x ${x0} set atom 24 x 1.58530928969164 1 settings made for x set atom $i y ${y0} set atom 24 y ${y0} set atom 24 y 2.75449854108194 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.54351456640837 variable y0 equal ${yi} variable y0 equal 3.68936000628603 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.59699419020292 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.76374191804064 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1307 -2.9871562 -2.2822732 -2.2683027 1308 -2.9871562 -2.2822732 -2.2643416 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 59 x ${x0} set atom 59 x 9.54351456640837 1 settings made for x set atom $i y ${y0} set atom 59 y ${y0} set atom 59 y 3.68936000628603 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.78488953311874 variable y0 equal ${yi} variable y0 equal 6.49416505829325 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.82492748697235 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.41313125626078 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1308 -2.9871562 -2.2822732 -2.2643416 1309 -2.9871562 -2.2822732 -2.2453757 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 66 x ${x0} set atom 66 x 2.78488953311874 1 settings made for x set atom $i y ${y0} set atom 66 y ${y0} set atom 66 y 6.49416505829325 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 8 variable x0 equal ${xi} variable x0 equal 3.65691963950282 variable y0 equal ${yi} variable y0 equal 1.01446969102654 set atom $i x ${xnew} set atom 8 x ${xnew} set atom 8 x 3.72333437720424 1 settings made for x set atom $i y ${ynew} set atom 8 y ${ynew} set atom 8 y 1.06102300475869 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1309 -2.9871562 -2.2822732 -2.2453757 1310 -2.9871562 -2.2822732 -2.2942274 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.29422744234244 variable naccept equal ${increment} variable naccept equal 331 next iter jump SELF loop variable i equal ${irandom} variable i equal 12 variable x0 equal ${xi} variable x0 equal 5.85675258595935 variable y0 equal ${yi} variable y0 equal 0.888840575921863 set atom $i x ${xnew} set atom 12 x ${xnew} set atom 12 x 5.91721756417743 1 settings made for x set atom $i y ${ynew} set atom 12 y ${ynew} set atom 12 y 0.936519785631031 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1310 -2.9871562 -2.2942274 -2.2942274 1311 -2.9871562 -2.2942274 -2.2862647 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 12 x ${x0} set atom 12 x 5.85675258595935 1 settings made for x set atom $i y ${y0} set atom 12 y ${y0} set atom 12 y 0.888840575921863 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.19388546387063 variable y0 equal ${yi} variable y0 equal 3.77270575328004 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.13935003916131 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.69000889821183 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1311 -2.9871562 -2.2942274 -2.2862647 1312 -2.9871562 -2.2942274 -2.2796391 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.19388546387063 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.77270575328004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.08689599949867 variable y0 equal ${yi} variable y0 equal 4.81755102032586 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.09878719765693 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.90624204033776 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1312 -2.9871562 -2.2942274 -2.2796391 1313 -2.9871562 -2.2942274 -2.2632256 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 58 x ${x0} set atom 58 x 9.08689599949867 1 settings made for x set atom $i y ${y0} set atom 58 y ${y0} set atom 58 y 4.81755102032586 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.67167732913923 variable y0 equal ${yi} variable y0 equal 2.85737189027169 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.65343800981474 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 2.85940663787225 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1313 -2.9871562 -2.2942274 -2.2632256 1314 -2.9871562 -2.2942274 -2.2948613 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.29486133534463 variable naccept equal ${increment} variable naccept equal 332 next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.23979663292276 variable y0 equal ${yi} variable y0 equal 5.5713402385016 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.14353287855493 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.64033788387971 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1314 -2.9871562 -2.2948613 -2.2948613 1315 -2.9871562 -2.2948613 -2.2635171 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.23979663292276 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.5713402385016 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.4157506708166 variable y0 equal ${yi} variable y0 equal 6.43439372316829 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.4508614067098 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.47271387115947 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1315 -2.9871562 -2.2948613 -2.2635171 1316 -2.9871562 -2.2948613 -2.2756855 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.4157506708166 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.43439372316829 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.15111655909569 variable y0 equal ${yi} variable y0 equal 6.52915453449718 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 9.07085164505989 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.56651134029857 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1316 -2.9871562 -2.2948613 -2.2756855 1317 -2.9871562 -2.2948613 -2.2504798 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 78 x ${x0} set atom 78 x 9.15111655909569 1 settings made for x set atom $i y ${y0} set atom 78 y ${y0} set atom 78 y 6.52915453449718 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.545649071136379 variable y0 equal ${yi} variable y0 equal 2.77431966039041 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.515064092079067 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.72008755179742 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1317 -2.9871562 -2.2948613 -2.2504798 1318 -2.9871562 -2.2948613 -2.2918799 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.545649071136379 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.77431966039041 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.11236243842937 variable y0 equal ${yi} variable y0 equal 8.24853718198832 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.06756101249553 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.34520264782008 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1318 -2.9871562 -2.2948613 -2.2918799 1319 -2.9871562 -2.2948613 -2.2928042 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.11236243842937 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.24853718198832 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 36 variable x0 equal ${xi} variable x0 equal 8.03611046670772 variable y0 equal ${yi} variable y0 equal 2.66520280810693 set atom $i x ${xnew} set atom 36 x ${xnew} set atom 36 x 8.07257722019054 1 settings made for x set atom $i y ${ynew} set atom 36 y ${ynew} set atom 36 y 2.58518868657449 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1319 -2.9871562 -2.2948613 -2.2928042 1320 -2.9871562 -2.2948613 -2.2035118 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 36 x ${x0} set atom 36 x 8.03611046670772 1 settings made for x set atom $i y ${y0} set atom 36 y ${y0} set atom 36 y 2.66520280810693 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.81670362273342 variable y0 equal ${yi} variable y0 equal 2.85977786752084 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.87336637297756 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.82785153361657 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1320 -2.9871562 -2.2948613 -2.2035118 1321 -2.9871562 -2.2948613 -2.2834654 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.81670362273342 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.85977786752084 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.1789412740728 variable y0 equal ${yi} variable y0 equal 2.78276804658273 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.2378794554731 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.68553432198861 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1321 -2.9871562 -2.2948613 -2.2834654 1322 -2.9871562 -2.2948613 -2.2854858 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.1789412740728 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.78276804658273 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.81688043712911 variable y0 equal ${yi} variable y0 equal 8.38843538679179 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.7778526389533 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.34849696077403 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1322 -2.9871562 -2.2948613 -2.2854858 1323 -2.9871562 -2.2948613 -2.2858028 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.81688043712911 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.38843538679179 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.31064851680662 variable y0 equal ${yi} variable y0 equal 1.91864991567201 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.25820756355192 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.95044969699449 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1323 -2.9871562 -2.2948613 -2.2858028 1324 -2.9871562 -2.2948613 -2.2717061 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 31 x ${x0} set atom 31 x 5.31064851680662 1 settings made for x set atom $i y ${y0} set atom 31 y ${y0} set atom 31 y 1.91864991567201 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.19226642608205 variable y0 equal ${yi} variable y0 equal 1.99900682351654 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.14494195937673 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 1.98286965272491 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1324 -2.9871562 -2.2948613 -2.2717061 1325 -2.9871562 -2.2948613 -2.2848418 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 27 x ${x0} set atom 27 x 3.19226642608205 1 settings made for x set atom $i y ${y0} set atom 27 y ${y0} set atom 27 y 1.99900682351654 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.15410325844937 variable y0 equal ${yi} variable y0 equal 3.75003771348131 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 1.1726589473074 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.80766061110628 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1325 -2.9871562 -2.2948613 -2.2848418 1326 -2.9871562 -2.2948613 -2.2760542 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 43 x ${x0} set atom 43 x 1.15410325844937 1 settings made for x set atom $i y ${y0} set atom 43 y ${y0} set atom 43 y 3.75003771348131 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 3 variable x0 equal ${xi} variable x0 equal 0.926390245754054 variable y0 equal ${yi} variable y0 equal 9.23904097783893 set atom $i x ${xnew} set atom 3 x ${xnew} set atom 3 x 0.984874358970454 1 settings made for x set atom $i y ${ynew} set atom 3 y ${ynew} set atom 3 y 9.19249844062656 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1326 -2.9871562 -2.2948613 -2.2760542 1327 -2.9871562 -2.2948613 -2.2953346 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.29533460197299 variable naccept equal ${increment} variable naccept equal 333 next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 7.01762646713897 variable y0 equal ${yi} variable y0 equal 8.4145590535551 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 7.0046394733493 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.32571720995006 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1327 -2.9871562 -2.2953346 -2.2953346 1328 -2.9871562 -2.2953346 -2.2870682 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 7.01762646713897 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.4145590535551 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.23979663292276 variable y0 equal ${yi} variable y0 equal 5.5713402385016 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.23040086666452 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.54572231714921 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1328 -2.9871562 -2.2953346 -2.2870682 1329 -2.9871562 -2.2953346 -2.2943054 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.23979663292276 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.5713402385016 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.15771750847207 variable y0 equal ${yi} variable y0 equal 7.45649659958148 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.13383789697991 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.55631255235934 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1329 -2.9871562 -2.2953346 -2.2943054 1330 -2.9871562 -2.2953346 -2.2580951 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.15771750847207 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.45649659958148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 3 variable x0 equal ${xi} variable x0 equal 0.984874358970454 variable y0 equal ${yi} variable y0 equal 9.19249844062656 set atom $i x ${xnew} set atom 3 x ${xnew} set atom 3 x 0.942472997505 1 settings made for x set atom $i y ${ynew} set atom 3 y ${ynew} set atom 3 y 9.20325301397174 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1330 -2.9871562 -2.2953346 -2.2580951 1331 -2.9871562 -2.2953346 -2.2935511 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 3 x ${x0} set atom 3 x 0.984874358970454 1 settings made for x set atom $i y ${y0} set atom 3 y ${y0} set atom 3 y 9.19249844062656 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 74 variable x0 equal ${xi} variable x0 equal 7.09398345032379 variable y0 equal ${yi} variable y0 equal 6.52802731529703 set atom $i x ${xnew} set atom 74 x ${xnew} set atom 74 x 7.14869847574875 1 settings made for x set atom $i y ${ynew} set atom 74 y ${ynew} set atom 74 y 6.59937186972132 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1331 -2.9871562 -2.2953346 -2.2935511 1332 -2.9871562 -2.2953346 -2.2402457 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 74 x ${x0} set atom 74 x 7.09398345032379 1 settings made for x set atom $i y ${y0} set atom 74 y ${y0} set atom 74 y 6.52802731529703 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.10189970134594 variable y0 equal ${yi} variable y0 equal 4.6733581578152 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.18557254670956 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.6028702294247 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1332 -2.9871562 -2.2953346 -2.2402457 1333 -2.9871562 -2.2953346 -2.2548114 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 56 x ${x0} set atom 56 x 8.10189970134594 1 settings made for x set atom $i y ${y0} set atom 56 y ${y0} set atom 56 y 4.6733581578152 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.29481029589387 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.4334490293761 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1333 -2.9871562 -2.2953346 -2.2548114 1334 -2.9871562 -2.2953346 -2.2465423 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.54407576480333 variable y0 equal ${yi} variable y0 equal 3.66106940074097 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.52757603087846 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.74092700047623 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1334 -2.9871562 -2.2953346 -2.2465423 1335 -2.9871562 -2.2953346 -2.2887248 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.54407576480333 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.66106940074097 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.68808116793414 variable y0 equal ${yi} variable y0 equal 6.45315314070217 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.65888813614627 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.3720808459901 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1335 -2.9871562 -2.2953346 -2.2887248 1336 -2.9871562 -2.2953346 -2.2797678 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.68808116793414 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.45315314070217 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.15771750847207 variable y0 equal ${yi} variable y0 equal 7.45649659958148 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.22260708252297 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.36962435570025 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1336 -2.9871562 -2.2953346 -2.2797678 1337 -2.9871562 -2.2953346 -2.2860316 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.15771750847207 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.45649659958148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.90086858232013 variable y0 equal ${yi} variable y0 equal 2.85332814427712 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.862532317233 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.82836420508721 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1337 -2.9871562 -2.2953346 -2.2860316 1338 -2.9871562 -2.2953346 -2.2867068 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 32 x ${x0} set atom 32 x 5.90086858232013 1 settings made for x set atom $i y ${y0} set atom 32 y ${y0} set atom 32 y 2.85332814427712 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.1148146752378 variable y0 equal ${yi} variable y0 equal 4.54698911065027 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.1174637440702 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.61520494574472 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1338 -2.9871562 -2.2953346 -2.2867068 1339 -2.9871562 -2.2953346 -2.293689 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 60 x ${x0} set atom 60 x 10.1148146752378 1 settings made for x set atom $i y ${y0} set atom 60 y ${y0} set atom 60 y 4.54698911065027 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.89080204048797 variable y0 equal ${yi} variable y0 equal 0.962413962591011 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.86054152527496 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 0.928743715989906 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1339 -2.9871562 -2.2953346 -2.293689 1340 -2.9871562 -2.2953346 -2.292052 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.89080204048797 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 0.962413962591011 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.41745940843489 variable y0 equal ${yi} variable y0 equal 5.54884942715364 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.44861375490096 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.64803954308229 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1340 -2.9871562 -2.2953346 -2.292052 1341 -2.9871562 -2.2953346 -2.2752771 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.41745940843489 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.54884942715364 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.07584694067344 variable y0 equal ${yi} variable y0 equal 0.00976005792616981 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 2.17122870127067 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y -0.0807844519615255 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1341 -2.9871562 -2.2953346 -2.2752771 1342 -2.9871562 -2.2953346 -2.2818217 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 2.07584694067344 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 0.00976005792616981 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.93586747366935 variable y0 equal ${yi} variable y0 equal 0.897689135778275 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 8.92307041604072 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 0.861539550531235 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1342 -2.9871562 -2.2953346 -2.2818217 1343 -2.9871562 -2.2953346 -2.2855368 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 8.93586747366935 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.897689135778275 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.96878697831622 variable y0 equal ${yi} variable y0 equal 6.53832680717936 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 5.98072066266528 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.56137829557887 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1343 -2.9871562 -2.2953346 -2.2855368 1344 -2.9871562 -2.2953346 -2.2920898 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 72 x ${x0} set atom 72 x 5.96878697831622 1 settings made for x set atom $i y ${y0} set atom 72 y ${y0} set atom 72 y 6.53832680717936 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.55546174207155 variable y0 equal ${yi} variable y0 equal 5.67337435429292 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.59160623708193 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.74971814100938 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1344 -2.9871562 -2.2953346 -2.2920898 1345 -2.9871562 -2.2953346 -2.2612975 Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.55546174207155 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.67337435429292 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.302839982893 variable y0 equal ${yi} variable y0 equal 0.902523060548633 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.3444101814289 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.871539982068866 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1345 -2.9871562 -2.2953346 -2.2612975 1346 -2.9871562 -2.2953346 -2.2741451 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 20 x ${x0} set atom 20 x 10.302839982893 1 settings made for x set atom $i y ${y0} set atom 20 y ${y0} set atom 20 y 0.902523060548633 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 82 variable x0 equal ${xi} variable x0 equal 0.44764589826193 variable y0 equal ${yi} variable y0 equal 8.32563534893091 set atom $i x ${xnew} set atom 82 x ${xnew} set atom 82 x 0.413469560542966 1 settings made for x set atom $i y ${ynew} set atom 82 y ${ynew} set atom 82 y 8.3198954454809 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1346 -2.9871562 -2.2953346 -2.2741451 1347 -2.9871562 -2.2953346 -2.2877734 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 82 x ${x0} set atom 82 x 0.44764589826193 1 settings made for x set atom $i y ${y0} set atom 82 y ${y0} set atom 82 y 8.32563534893091 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.81688043712911 variable y0 equal ${yi} variable y0 equal 8.38843538679179 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.73077858328161 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.46238026536997 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1347 -2.9871562 -2.2953346 -2.2877734 1348 -2.9871562 -2.2953346 -2.2654391 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.81688043712911 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.38843538679179 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.81688043712911 variable y0 equal ${yi} variable y0 equal 8.38843538679179 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.81817211746511 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.35664775289592 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1348 -2.9871562 -2.2953346 -2.2654391 1349 -2.9871562 -2.2953346 -2.2916754 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.81688043712911 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.38843538679179 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.49823891638834 variable y0 equal ${yi} variable y0 equal 3.73309955163132 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.50589700459559 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.63503306670319 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1349 -2.9871562 -2.2953346 -2.2916754 1350 -2.9871562 -2.2953346 -2.2671004 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 53 x ${x0} set atom 53 x 6.49823891638834 1 settings made for x set atom $i y ${y0} set atom 53 y ${y0} set atom 53 y 3.73309955163132 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.49823891638834 variable y0 equal ${yi} variable y0 equal 3.73309955163132 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.57906069277842 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.82703535123001 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1350 -2.9871562 -2.2953346 -2.2671004 1351 -2.9871562 -2.2953346 -2.2468861 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 53 x ${x0} set atom 53 x 6.49823891638834 1 settings made for x set atom $i y ${y0} set atom 53 y ${y0} set atom 53 y 3.73309955163132 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.50331240732442 variable y0 equal ${yi} variable y0 equal 7.44483136263156 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.59844397146474 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.36201099481845 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1351 -2.9871562 -2.2953346 -2.2468861 1352 -2.9871562 -2.2953346 -2.2631901 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 95 x ${x0} set atom 95 x 7.50331240732442 1 settings made for x set atom $i y ${y0} set atom 95 y ${y0} set atom 95 y 7.44483136263156 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.15111655909569 variable y0 equal ${yi} variable y0 equal 6.52915453449718 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 9.141684624739 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.59070108667842 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1352 -2.9871562 -2.2953346 -2.2631901 1353 -2.9871562 -2.2953346 -2.2754957 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 78 x ${x0} set atom 78 x 9.15111655909569 1 settings made for x set atom $i y ${y0} set atom 78 y ${y0} set atom 78 y 6.52915453449718 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 33 variable x0 equal ${xi} variable x0 equal 6.35099447487909 variable y0 equal ${yi} variable y0 equal 1.92307773015564 set atom $i x ${xnew} set atom 33 x ${xnew} set atom 33 x 6.26091949462015 1 settings made for x set atom $i y ${ynew} set atom 33 y ${ynew} set atom 33 y 1.92970127246445 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1353 -2.9871562 -2.2953346 -2.2754957 1354 -2.9871562 -2.2953346 -2.267102 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 33 x ${x0} set atom 33 x 6.35099447487909 1 settings made for x set atom $i y ${y0} set atom 33 y ${y0} set atom 33 y 1.92307773015564 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.570630665222075 variable y0 equal ${yi} variable y0 equal 0.909747691858138 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.559640582004454 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.938582559335555 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1354 -2.9871562 -2.2953346 -2.267102 1355 -2.9871562 -2.2953346 -2.2895123 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.570630665222075 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.909747691858138 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.41745940843489 variable y0 equal ${yi} variable y0 equal 5.54884942715364 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.49751656452086 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.49171273653703 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1355 -2.9871562 -2.2953346 -2.2895123 1356 -2.9871562 -2.2953346 -2.25908 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.41745940843489 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.54884942715364 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 37 variable x0 equal ${xi} variable x0 equal 8.49348578610842 variable y0 equal ${yi} variable y0 equal 1.80821938893861 set atom $i x ${xnew} set atom 37 x ${xnew} set atom 37 x 8.50109368720477 1 settings made for x set atom $i y ${ynew} set atom 37 y ${ynew} set atom 37 y 1.85763355872697 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1356 -2.9871562 -2.2953346 -2.25908 1357 -2.9871562 -2.2953346 -2.2795324 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 37 x ${x0} set atom 37 x 8.49348578610842 1 settings made for x set atom $i y ${y0} set atom 37 y ${y0} set atom 37 y 1.80821938893861 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 49 variable x0 equal ${xi} variable x0 equal 4.29979468662949 variable y0 equal ${yi} variable y0 equal 3.68506254716051 set atom $i x ${xnew} set atom 49 x ${xnew} set atom 49 x 4.37311956961365 1 settings made for x set atom $i y ${ynew} set atom 49 y ${ynew} set atom 49 y 3.73546738190782 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1357 -2.9871562 -2.2953346 -2.2795324 1358 -2.9871562 -2.2953346 -2.3000699 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.3000699106129 variable naccept equal ${increment} variable naccept equal 334 next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.68808116793414 variable y0 equal ${yi} variable y0 equal 6.45315314070217 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.67657356142779 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.46560488478176 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1358 -2.9871562 -2.3000699 -2.3000699 1359 -2.9871562 -2.3000699 -2.3000242 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.30002419961976 variable naccept equal ${increment} variable naccept equal 335 next iter jump SELF loop variable i equal ${irandom} variable i equal 38 variable x0 equal ${xi} variable x0 equal 9.09958864171057 variable y0 equal ${yi} variable y0 equal 2.75573046180108 set atom $i x ${xnew} set atom 38 x ${xnew} set atom 38 x 9.10881058890372 1 settings made for x set atom $i y ${ynew} set atom 38 y ${ynew} set atom 38 y 2.66405101987222 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1359 -2.9871562 -2.3000242 -2.3000242 1360 -2.9871562 -2.3000242 -2.2536364 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 38 x ${x0} set atom 38 x 9.09958864171057 1 settings made for x set atom $i y ${y0} set atom 38 y ${y0} set atom 38 y 2.75573046180108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.81670362273342 variable y0 equal ${yi} variable y0 equal 2.85977786752084 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.81068161049969 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.80909815999368 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1360 -2.9871562 -2.3000242 -2.2536364 1361 -2.9871562 -2.3000242 -2.2946385 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.81670362273342 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.85977786752084 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 35 variable x0 equal ${xi} variable x0 equal 7.37088978130592 variable y0 equal ${yi} variable y0 equal 1.86757599494523 set atom $i x ${xnew} set atom 35 x ${xnew} set atom 35 x 7.28278066952003 1 settings made for x set atom $i y ${ynew} set atom 35 y ${ynew} set atom 35 y 1.96565907380647 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1361 -2.9871562 -2.3000242 -2.2946385 1362 -2.9871562 -2.3000242 -2.2077304 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 35 x ${x0} set atom 35 x 7.37088978130592 1 settings made for x set atom $i y ${y0} set atom 35 y ${y0} set atom 35 y 1.86757599494523 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.12744101880885 variable y0 equal ${yi} variable y0 equal 6.56631985441675 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 8.1830037414918 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.54814759031763 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1362 -2.9871562 -2.3000242 -2.2077304 1363 -2.9871562 -2.3000242 -2.2690105 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 76 x ${x0} set atom 76 x 8.12744101880885 1 settings made for x set atom $i y ${y0} set atom 76 y ${y0} set atom 76 y 6.56631985441675 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 7.01762646713897 variable y0 equal ${yi} variable y0 equal 8.4145590535551 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 6.99377454796478 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.33024649538097 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1363 -2.9871562 -2.3000242 -2.2690105 1364 -2.9871562 -2.3000242 -2.2927375 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 7.01762646713897 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.4145590535551 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.3997807749054 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.59105925505359 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1364 -2.9871562 -2.3000242 -2.2927375 1365 -2.9871562 -2.3000242 -2.287627 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.67657356142779 variable y0 equal ${yi} variable y0 equal 6.46560488478176 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.73513083338519 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.53814416662685 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1365 -2.9871562 -2.3000242 -2.287627 1366 -2.9871562 -2.3000242 -2.2947541 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.67657356142779 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.46560488478176 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.9899615760564 variable y0 equal ${yi} variable y0 equal 4.5907792245762 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 6.04368883330814 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.6619808828251 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1366 -2.9871562 -2.3000242 -2.2947541 1367 -2.9871562 -2.3000242 -2.2486274 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 5.9899615760564 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.5907792245762 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 87 variable x0 equal ${xi} variable x0 equal 3.20964491128483 variable y0 equal ${yi} variable y0 equal 7.4096286090877 set atom $i x ${xnew} set atom 87 x ${xnew} set atom 87 x 3.25867109059849 1 settings made for x set atom $i y ${ynew} set atom 87 y ${ynew} set atom 87 y 7.33470831241869 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1367 -2.9871562 -2.3000242 -2.2486274 1368 -2.9871562 -2.3000242 -2.2794964 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 87 x ${x0} set atom 87 x 3.20964491128483 1 settings made for x set atom $i y ${y0} set atom 87 y ${y0} set atom 87 y 7.4096286090877 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.8951647126609 variable y0 equal ${yi} variable y0 equal 2.85868977280953 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 4.93554923176109 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.77407791587212 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1368 -2.9871562 -2.3000242 -2.2794964 1369 -2.9871562 -2.3000242 -2.2596362 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 30 x ${x0} set atom 30 x 4.8951647126609 1 settings made for x set atom $i y ${y0} set atom 30 y ${y0} set atom 30 y 2.85868977280953 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.54407576480333 variable y0 equal ${yi} variable y0 equal 3.66106940074097 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.52560963788454 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.70876102013718 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1369 -2.9871562 -2.3000242 -2.2596362 1370 -2.9871562 -2.3000242 -2.295648 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.54407576480333 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.66106940074097 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.46753388483297 variable y0 equal ${yi} variable y0 equal 0.0335806965827942 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.43759010870229 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y 0.0258335590362549 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1370 -2.9871562 -2.3000242 -2.295648 1371 -2.9871562 -2.3000242 -2.2970438 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.46753388483297 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.0335806965827942 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.81292923887205 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.73180116766854 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1371 -2.9871562 -2.3000242 -2.2970438 1372 -2.9871562 -2.3000242 -2.2838162 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.80759401837473 variable y0 equal ${yi} variable y0 equal 4.6440585290806 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.74989660302286 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.60778792256281 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1372 -2.9871562 -2.3000242 -2.2838162 1373 -2.9871562 -2.3000242 -2.2889697 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.80759401837473 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.6440585290806 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.81670362273342 variable y0 equal ${yi} variable y0 equal 2.85977786752084 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.76993929663784 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.88655667277673 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1373 -2.9871562 -2.3000242 -2.2889697 1374 -2.9871562 -2.3000242 -2.2961247 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.81670362273342 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.85977786752084 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.11236243842937 variable y0 equal ${yi} variable y0 equal 8.24853718198832 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.0769247591386 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.24582147516306 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1374 -2.9871562 -2.3000242 -2.2961247 1375 -2.9871562 -2.3000242 -2.3014587 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.30145868769799 variable naccept equal ${increment} variable naccept equal 336 next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.58530928969164 variable y0 equal ${yi} variable y0 equal 2.75449854108194 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.51563278317232 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.76446560593942 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1375 -2.9871562 -2.3014587 -2.3014587 1376 -2.9871562 -2.3014587 -2.2809652 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 24 x ${x0} set atom 24 x 1.58530928969164 1 settings made for x set atom $i y ${y0} set atom 24 y ${y0} set atom 24 y 2.75449854108194 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 86 variable x0 equal ${xi} variable x0 equal 2.71264111001922 variable y0 equal ${yi} variable y0 equal 8.37165092147884 set atom $i x ${xnew} set atom 86 x ${xnew} set atom 86 x 2.73734647233917 1 settings made for x set atom $i y ${ynew} set atom 86 y ${ynew} set atom 86 y 8.41885987438259 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1376 -2.9871562 -2.3014587 -2.2809652 1377 -2.9871562 -2.3014587 -2.2989242 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 86 x ${x0} set atom 86 x 2.71264111001922 1 settings made for x set atom $i y ${y0} set atom 86 y ${y0} set atom 86 y 8.37165092147884 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 0.0228117227554322 variable y0 equal ${yi} variable y0 equal 1.82412650964326 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x 0.00867300033569343 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.75659397027558 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1377 -2.9871562 -2.3014587 -2.2989242 1378 -2.9871562 -2.3014587 -2.2802437 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 21 x ${x0} set atom 21 x 0.0228117227554322 1 settings made for x set atom $i y ${y0} set atom 21 y ${y0} set atom 21 y 1.82412650964326 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.64328949609225 variable y0 equal ${yi} variable y0 equal 7.40728055563236 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.71756481090014 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.38722594108845 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1378 -2.9871562 -2.3014587 -2.2802437 1379 -2.9871562 -2.3014587 -2.2822409 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 97 x ${x0} set atom 97 x 8.64328949609225 1 settings made for x set atom $i y ${y0} set atom 97 y ${y0} set atom 97 y 7.40728055563236 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.24420675992527 variable y0 equal ${yi} variable y0 equal 3.73567457957399 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.3001845931963 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.66794571442735 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1379 -2.9871562 -2.3014587 -2.2822409 1380 -2.9871562 -2.3014587 -2.281194 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.24420675992527 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.73567457957399 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.19388546387063 variable y0 equal ${yi} variable y0 equal 3.77270575328004 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.14967696110116 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.81221352381837 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1380 -2.9871562 -2.3014587 -2.281194 1381 -2.9871562 -2.3014587 -2.2964729 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.19388546387063 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.77270575328004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 36 variable x0 equal ${xi} variable x0 equal 8.03611046670772 variable y0 equal ${yi} variable y0 equal 2.66520280810693 set atom $i x ${xnew} set atom 36 x ${xnew} set atom 36 x 7.95910298227169 1 settings made for x set atom $i y ${ynew} set atom 36 y ${ynew} set atom 36 y 2.63818027945855 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1381 -2.9871562 -2.3014587 -2.2964729 1382 -2.9871562 -2.3014587 -2.2806686 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 36 x ${x0} set atom 36 x 8.03611046670772 1 settings made for x set atom $i y ${y0} set atom 36 y ${y0} set atom 36 y 2.66520280810693 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.302839982893 variable y0 equal ${yi} variable y0 equal 0.902523060548633 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.2292649034519 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.913150580633014 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1382 -2.9871562 -2.3014587 -2.2806686 1383 -2.9871562 -2.3014587 -2.3164982 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.31649817267791 variable naccept equal ${increment} variable naccept equal 337 next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.19388546387063 variable y0 equal ${yi} variable y0 equal 3.77270575328004 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.26573571602212 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.77390906376969 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1383 -2.9871562 -2.3164982 -2.3164982 1384 -2.9871562 -2.3164982 -2.2957446 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.19388546387063 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.77270575328004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.46753388483297 variable y0 equal ${yi} variable y0 equal 0.0335806965827942 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.54676409799825 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y 0.0123356819152832 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1384 -2.9871562 -2.3164982 -2.2957446 1385 -2.9871562 -2.3164982 -2.3042891 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.46753388483297 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.0335806965827942 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.96878697831622 variable y0 equal ${yi} variable y0 equal 6.53832680717936 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 5.91448788602343 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.57558637396327 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1385 -2.9871562 -2.3164982 -2.3042891 1386 -2.9871562 -2.3164982 -2.3112206 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 72 x ${x0} set atom 72 x 5.96878697831622 1 settings made for x set atom $i y ${y0} set atom 72 y ${y0} set atom 72 y 6.53832680717936 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.87741336464225 variable y0 equal ${yi} variable y0 equal 6.4556893421792 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.80220596432029 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.44829917685022 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1386 -2.9871562 -2.3164982 -2.3112206 1387 -2.9871562 -2.3164982 -2.3011108 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.87741336464225 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.4556893421792 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.6111590226346 variable y0 equal ${yi} variable y0 equal 9.22944378364413 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.6703532059842 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 9.2144169758591 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1387 -2.9871562 -2.3164982 -2.3011108 1388 -2.9871562 -2.3164982 -2.3128349 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 1 x ${x0} set atom 1 x 10.6111590226346 1 settings made for x set atom $i y ${y0} set atom 1 y ${y0} set atom 1 y 9.22944378364413 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.80623258868343 variable y0 equal ${yi} variable y0 equal 6.50073292986383 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.76491075078136 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.496090705552 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1388 -2.9871562 -2.3164982 -2.3128349 1389 -2.9871562 -2.3164982 -2.3035526 Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms 2383.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 68 x ${x0} set atom 68 x 3.80623258868343 1 settings made for x set atom $i y ${y0} set atom 68 y ${y0} set atom 68 y 6.50073292986383 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.58530928969164 variable y0 equal ${yi} variable y0 equal 2.75449854108194 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.63001570582171 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.83223057957987 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1389 -2.9871562 -2.3164982 -2.3035526 1390 -2.9871562 -2.3164982 -2.317513 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.31751303944805 variable naccept equal ${increment} variable naccept equal 338 next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.93586747366935 variable y0 equal ${yi} variable y0 equal 0.897689135778275 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 8.941789159365 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 0.938164039361802 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1390 -2.9871562 -2.317513 -2.317513 1391 -2.9871562 -2.317513 -2.3159548 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 8.93586747366935 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.897689135778275 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.15771750847207 variable y0 equal ${yi} variable y0 equal 7.45649659958148 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.08614566961633 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.51490707721972 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1391 -2.9871562 -2.317513 -2.3159548 1392 -2.9871562 -2.317513 -2.2829082 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.15771750847207 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.45649659958148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.78488953311874 variable y0 equal ${yi} variable y0 equal 6.49416505829325 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.80120359857513 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.43112880722513 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1392 -2.9871562 -2.317513 -2.2829082 1393 -2.9871562 -2.317513 -2.3012626 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 66 x ${x0} set atom 66 x 2.78488953311874 1 settings made for x set atom $i y ${y0} set atom 66 y ${y0} set atom 66 y 6.49416505829325 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.570630665222075 variable y0 equal ${yi} variable y0 equal 0.909747691858138 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.491872127452757 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.889505692231978 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1393 -2.9871562 -2.317513 -2.3012626 1394 -2.9871562 -2.317513 -2.3110984 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.570630665222075 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.909747691858138 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.11815181096249 variable y0 equal ${yi} variable y0 equal 7.44427507248187 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.12687894423657 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.52368215647006 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1394 -2.9871562 -2.317513 -2.3110984 1395 -2.9871562 -2.317513 -2.3045404 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.11815181096249 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.44427507248187 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.19388546387063 variable y0 equal ${yi} variable y0 equal 3.77270575328004 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.19773116747247 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.7004801706804 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1395 -2.9871562 -2.317513 -2.3045404 1396 -2.9871562 -2.317513 -2.2959113 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.19388546387063 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.77270575328004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 63 variable x0 equal ${xi} variable x0 equal 0.987933591205408 variable y0 equal ${yi} variable y0 equal 5.5415678853293 set atom $i x ${xnew} set atom 63 x ${xnew} set atom 63 x 1.04039912541561 1 settings made for x set atom $i y ${ynew} set atom 63 y ${ynew} set atom 63 y 5.56148483698564 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1396 -2.9871562 -2.317513 -2.2959113 1397 -2.9871562 -2.317513 -2.3215174 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.32151737970465 variable naccept equal ${increment} variable naccept equal 339 next iter jump SELF loop variable i equal ${irandom} variable i equal 38 variable x0 equal ${xi} variable x0 equal 9.09958864171057 variable y0 equal ${yi} variable y0 equal 2.75573046180108 set atom $i x ${xnew} set atom 38 x ${xnew} set atom 38 x 9.08363334853201 1 settings made for x set atom $i y ${ynew} set atom 38 y ${ynew} set atom 38 y 2.82831166955331 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1397 -2.9871562 -2.3215174 -2.3215174 1398 -2.9871562 -2.3215174 -2.306214 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 38 x ${x0} set atom 38 x 9.09958864171057 1 settings made for x set atom $i y ${y0} set atom 38 y ${y0} set atom 38 y 2.75573046180108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.28738315184327 variable y0 equal ${yi} variable y0 equal 1.92619390866823 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.31444346983643 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.98561314723558 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1398 -2.9871562 -2.3215174 -2.306214 1399 -2.9871562 -2.3215174 -2.3120159 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.28738315184327 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.92619390866823 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.50331240732442 variable y0 equal ${yi} variable y0 equal 7.44483136263156 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.46974054414998 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.54474844064975 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1399 -2.9871562 -2.3215174 -2.3120159 1400 -2.9871562 -2.3215174 -2.2787829 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 95 x ${x0} set atom 95 x 7.50331240732442 1 settings made for x set atom $i y ${y0} set atom 95 y ${y0} set atom 95 y 7.44483136263156 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.78193971434718 variable y0 equal ${yi} variable y0 equal 8.31736352361736 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.80360286751872 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.26736197389659 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1400 -2.9871562 -2.3215174 -2.2787829 1401 -2.9871562 -2.3215174 -2.3147138 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.78193971434718 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.31736352361736 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 7.01762646713897 variable y0 equal ${yi} variable y0 equal 8.4145590535551 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 7.04720294752761 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.49314690746364 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1401 -2.9871562 -2.3215174 -2.3147138 1402 -2.9871562 -2.3215174 -2.2904713 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 7.01762646713897 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.4145590535551 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.81688043712911 variable y0 equal ${yi} variable y0 equal 8.38843538679179 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.72588594793615 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.35614013589915 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1402 -2.9871562 -2.3215174 -2.2904713 1403 -2.9871562 -2.3215174 -2.2923922 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.81688043712911 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.38843538679179 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 99 variable x0 equal ${xi} variable x0 equal 9.7112571763861 variable y0 equal ${yi} variable y0 equal 7.38156818475986 set atom $i x ${xnew} set atom 99 x ${xnew} set atom 99 x 9.66611899613021 1 settings made for x set atom $i y ${ynew} set atom 99 y ${ynew} set atom 99 y 7.43684519853855 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1403 -2.9871562 -2.3215174 -2.2923922 1404 -2.9871562 -2.3215174 -2.2975685 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 99 x ${x0} set atom 99 x 9.7112571763861 1 settings made for x set atom $i y ${y0} set atom 99 y ${y0} set atom 99 y 7.38156818475986 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.22492432355444 variable y0 equal ${yi} variable y0 equal 0.0240613460540867 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.29039489984076 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y -0.0393152713775539 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1404 -2.9871562 -2.3215174 -2.2975685 1405 -2.9871562 -2.3215174 -2.300453 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 7 x ${x0} set atom 7 x 3.22492432355444 1 settings made for x set atom $i y ${y0} set atom 7 y ${y0} set atom 7 y 0.0240613460540867 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 41 variable x0 equal ${xi} variable x0 equal 0.0739950656890791 variable y0 equal ${yi} variable y0 equal 3.67012049718035 set atom $i x ${xnew} set atom 41 x ${xnew} set atom 41 x 0.159561967849724 1 settings made for x set atom $i y ${ynew} set atom 41 y ${ynew} set atom 41 y 3.7207234577669 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1405 -2.9871562 -2.3215174 -2.300453 1406 -2.9871562 -2.3215174 -2.2842087 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 41 x ${x0} set atom 41 x 0.0739950656890791 1 settings made for x set atom $i y ${y0} set atom 41 y ${y0} set atom 41 y 3.67012049718035 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 33 variable x0 equal ${xi} variable x0 equal 6.35099447487909 variable y0 equal ${yi} variable y0 equal 1.92307773015564 set atom $i x ${xnew} set atom 33 x ${xnew} set atom 33 x 6.38545426844675 1 settings made for x set atom $i y ${ynew} set atom 33 y ${ynew} set atom 33 y 1.82912135503357 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1406 -2.9871562 -2.3215174 -2.2842087 1407 -2.9871562 -2.3215174 -2.3101598 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 33 x ${x0} set atom 33 x 6.35099447487909 1 settings made for x set atom $i y ${y0} set atom 33 y ${y0} set atom 33 y 1.92307773015564 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.46753388483297 variable y0 equal ${yi} variable y0 equal 0.0335806965827942 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.53864973623525 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y 0.00289301872253419 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1407 -2.9871562 -2.3215174 -2.3101598 1408 -2.9871562 -2.3215174 -2.3121441 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.46753388483297 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.0335806965827942 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.08689599949867 variable y0 equal ${yi} variable y0 equal 4.81755102032586 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.01123799998314 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.76901442164346 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1408 -2.9871562 -2.3215174 -2.3121441 1409 -2.9871562 -2.3215174 -2.2782364 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 58 x ${x0} set atom 58 x 9.08689599949867 1 settings made for x set atom $i y ${y0} set atom 58 y ${y0} set atom 58 y 4.81755102032586 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.15111655909569 variable y0 equal ${yi} variable y0 equal 6.52915453449718 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 9.20614525992424 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.48910862938396 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1409 -2.9871562 -2.3215174 -2.2782364 1410 -2.9871562 -2.3215174 -2.3000176 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 78 x ${x0} set atom 78 x 9.15111655909569 1 settings made for x set atom $i y ${y0} set atom 78 y ${y0} set atom 78 y 6.52915453449718 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 7.01762646713897 variable y0 equal ${yi} variable y0 equal 8.4145590535551 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 7.10383940020248 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.47872091449794 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1410 -2.9871562 -2.3215174 -2.3000176 1411 -2.9871562 -2.3215174 -2.2770492 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 7.01762646713897 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.4145590535551 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.1148146752378 variable y0 equal ${yi} variable y0 equal 4.54698911065027 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.1039869431516 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.48867152089044 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1411 -2.9871562 -2.3215174 -2.2770492 1412 -2.9871562 -2.3215174 -2.3086917 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 60 x ${x0} set atom 60 x 10.1148146752378 1 settings made for x set atom $i y ${y0} set atom 60 y ${y0} set atom 60 y 4.54698911065027 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.80623258868343 variable y0 equal ${yi} variable y0 equal 6.50073292986383 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.73662535468227 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.5160320951127 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1412 -2.9871562 -2.3215174 -2.3086917 1413 -2.9871562 -2.3215174 -2.2944351 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 68 x ${x0} set atom 68 x 3.80623258868343 1 settings made for x set atom $i y ${y0} set atom 68 y ${y0} set atom 68 y 6.50073292986383 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 42 variable x0 equal ${xi} variable x0 equal 0.463221640983487 variable y0 equal ${yi} variable y0 equal 4.61717816943094 set atom $i x ${xnew} set atom 42 x ${xnew} set atom 42 x 0.500509889522458 1 settings made for x set atom $i y ${ynew} set atom 42 y ${ynew} set atom 42 y 4.59161240214273 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1413 -2.9871562 -2.3215174 -2.2944351 1414 -2.9871562 -2.3215174 -2.3275619 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.32756190420613 variable naccept equal ${increment} variable naccept equal 340 next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.570630665222075 variable y0 equal ${yi} variable y0 equal 0.909747691858138 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.633430464664366 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.811392517793502 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1414 -2.9871562 -2.3275619 -2.3275619 1415 -2.9871562 -2.3275619 -2.3129469 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.570630665222075 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.909747691858138 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 86 variable x0 equal ${xi} variable x0 equal 2.71264111001922 variable y0 equal ${yi} variable y0 equal 8.37165092147884 set atom $i x ${xnew} set atom 86 x ${xnew} set atom 86 x 2.78002122838928 1 settings made for x set atom $i y ${ynew} set atom 86 y ${ynew} set atom 86 y 8.43544684566555 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1415 -2.9871562 -2.3275619 -2.3129469 1416 -2.9871562 -2.3275619 -2.3132303 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 86 x ${x0} set atom 86 x 2.71264111001922 1 settings made for x set atom $i y ${y0} set atom 86 y ${y0} set atom 86 y 8.37165092147884 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 98 variable x0 equal ${xi} variable x0 equal 9.16308992821724 variable y0 equal ${yi} variable y0 equal 8.28462620891627 set atom $i x ${xnew} set atom 98 x ${xnew} set atom 98 x 9.14319008309395 1 settings made for x set atom $i y ${ynew} set atom 98 y ${ynew} set atom 98 y 8.37685922302302 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1416 -2.9871562 -2.3275619 -2.3132303 1417 -2.9871562 -2.3275619 -2.334119 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.33411903559274 variable naccept equal ${increment} variable naccept equal 341 next iter jump SELF loop variable i equal ${irandom} variable i equal 8 variable x0 equal ${xi} variable x0 equal 3.72333437720424 variable y0 equal ${yi} variable y0 equal 1.06102300475869 set atom $i x ${xnew} set atom 8 x ${xnew} set atom 8 x 3.68942341128475 1 settings made for x set atom $i y ${ynew} set atom 8 y ${ynew} set atom 8 y 1.02944649051461 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1417 -2.9871562 -2.334119 -2.334119 1418 -2.9871562 -2.334119 -2.3327015 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 8 x ${x0} set atom 8 x 3.72333437720424 1 settings made for x set atom $i y ${y0} set atom 8 y ${y0} set atom 8 y 1.06102300475869 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 62 variable x0 equal ${xi} variable x0 equal 0.654104717174436 variable y0 equal ${yi} variable y0 equal 6.49111358658304 set atom $i x ${xnew} set atom 62 x ${xnew} set atom 62 x 0.681616993347074 1 settings made for x set atom $i y ${ynew} set atom 62 y ${ynew} set atom 62 y 6.51842010752191 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1418 -2.9871562 -2.334119 -2.3327015 1419 -2.9871562 -2.334119 -2.3339006 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 62 x ${x0} set atom 62 x 0.654104717174436 1 settings made for x set atom $i y ${y0} set atom 62 y ${y0} set atom 62 y 6.49111358658304 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 10 variable x0 equal ${xi} variable x0 equal 4.80188562511741 variable y0 equal ${yi} variable y0 equal 0.909176393258899 set atom $i x ${xnew} set atom 10 x ${xnew} set atom 10 x 4.77766234516441 1 settings made for x set atom $i y ${ynew} set atom 10 y ${ynew} set atom 10 y 0.927607925641864 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1419 -2.9871562 -2.334119 -2.3339006 1420 -2.9871562 -2.334119 -2.3369591 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.33695911426154 variable naccept equal ${increment} variable naccept equal 342 next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 7.01762646713897 variable y0 equal ${yi} variable y0 equal 8.4145590535551 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 6.9232407239978 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.47292033351955 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1420 -2.9871562 -2.3369591 -2.3369591 1421 -2.9871562 -2.3369591 -2.3138447 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 7.01762646713897 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.4145590535551 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 87 variable x0 equal ${xi} variable x0 equal 3.20964491128483 variable y0 equal ${yi} variable y0 equal 7.4096286090877 set atom $i x ${xnew} set atom 87 x ${xnew} set atom 87 x 3.17499112844029 1 settings made for x set atom $i y ${ynew} set atom 87 y ${ynew} set atom 87 y 7.40797953930163 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1421 -2.9871562 -2.3369591 -2.3138447 1422 -2.9871562 -2.3369591 -2.3290892 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 87 x ${x0} set atom 87 x 3.20964491128483 1 settings made for x set atom $i y ${y0} set atom 87 y ${y0} set atom 87 y 7.4096286090877 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.93586747366935 variable y0 equal ${yi} variable y0 equal 0.897689135778275 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 8.9175483437255 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 0.922007139432755 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1422 -2.9871562 -2.3369591 -2.3290892 1423 -2.9871562 -2.3369591 -2.3297941 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 8.93586747366935 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.897689135778275 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.9899615760564 variable y0 equal ${yi} variable y0 equal 4.5907792245762 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 5.91528801877491 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.56174655312463 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1423 -2.9871562 -2.3369591 -2.3297941 1424 -2.9871562 -2.3369591 -2.3001875 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 5.9899615760564 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.5907792245762 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 98 variable x0 equal ${xi} variable x0 equal 9.14319008309395 variable y0 equal ${yi} variable y0 equal 8.37685922302302 set atom $i x ${xnew} set atom 98 x ${xnew} set atom 98 x 9.21071982104332 1 settings made for x set atom $i y ${ynew} set atom 98 y ${ynew} set atom 98 y 8.28916510261592 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1424 -2.9871562 -2.3369591 -2.3001875 1425 -2.9871562 -2.3369591 -2.3141418 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 98 x ${x0} set atom 98 x 9.14319008309395 1 settings made for x set atom $i y ${y0} set atom 98 y ${y0} set atom 98 y 8.37685922302302 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.93586747366935 variable y0 equal ${yi} variable y0 equal 0.897689135778275 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 8.99518160540611 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 0.952992590177384 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1425 -2.9871562 -2.3369591 -2.3141418 1426 -2.9871562 -2.3369591 -2.3396307 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.3396307160614 variable naccept equal ${increment} variable naccept equal 343 next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.96878697831622 variable y0 equal ${yi} variable y0 equal 6.53832680717936 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 5.89155312736026 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.59588965908518 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1426 -2.9871562 -2.3396307 -2.3396307 1427 -2.9871562 -2.3396307 -2.3288513 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 72 x ${x0} set atom 72 x 5.96878697831622 1 settings made for x set atom $i y ${y0} set atom 72 y ${y0} set atom 72 y 6.53832680717936 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 23 variable x0 equal ${xi} variable x0 equal 1.07343188841992 variable y0 equal ${yi} variable y0 equal 1.85961672446793 set atom $i x ${xnew} set atom 23 x ${xnew} set atom 23 x 1.09460839350873 1 settings made for x set atom $i y ${ynew} set atom 23 y ${ynew} set atom 23 y 1.78177765986985 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1427 -2.9871562 -2.3396307 -2.3288513 1428 -2.9871562 -2.3396307 -2.3213605 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 23 x ${x0} set atom 23 x 1.07343188841992 1 settings made for x set atom $i y ${y0} set atom 23 y ${y0} set atom 23 y 1.85961672446793 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 38 variable x0 equal ${xi} variable x0 equal 9.09958864171057 variable y0 equal ${yi} variable y0 equal 2.75573046180108 set atom $i x ${xnew} set atom 38 x ${xnew} set atom 38 x 9.11200407464056 1 settings made for x set atom $i y ${ynew} set atom 38 y ${ynew} set atom 38 y 2.84812313290933 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1428 -2.9871562 -2.3396307 -2.3213605 1429 -2.9871562 -2.3396307 -2.3089544 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 38 x ${x0} set atom 38 x 9.09958864171057 1 settings made for x set atom $i y ${y0} set atom 38 y ${y0} set atom 38 y 2.75573046180108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 0.0228117227554322 variable y0 equal ${yi} variable y0 equal 1.82412650964326 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x -0.0584160566329955 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.80623832128114 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1429 -2.9871562 -2.3396307 -2.3089544 1430 -2.9871562 -2.3396307 -2.3378182 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 21 x ${x0} set atom 21 x 0.0228117227554322 1 settings made for x set atom $i y ${y0} set atom 21 y ${y0} set atom 21 y 1.82412650964326 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.30100279251004 variable y0 equal ${yi} variable y0 equal 7.47468527879977 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.21299447217847 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.38093111839556 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1430 -2.9871562 -2.3396307 -2.3378182 1431 -2.9871562 -2.3396307 -2.1697277 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.30100279251004 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.47468527879977 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.24420675992527 variable y0 equal ${yi} variable y0 equal 3.73567457957399 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.3393802380518 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.68666055960786 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1431 -2.9871562 -2.3396307 -2.1697277 1432 -2.9871562 -2.3396307 -2.3156496 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.24420675992527 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.73567457957399 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.98549635687515 variable y0 equal ${yi} variable y0 equal 2.82734158011773 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 7.04396488943741 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.88780105086663 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1432 -2.9871562 -2.3396307 -2.3156496 1433 -2.9871562 -2.3396307 -2.3216601 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.98549635687515 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.82734158011773 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 81 variable x0 equal ${xi} variable x0 equal 0.0322040319442937 variable y0 equal ${yi} variable y0 equal 7.38692112293505 set atom $i x ${xnew} set atom 81 x ${xnew} set atom 81 x -0.0124798059463313 1 settings made for x set atom $i y ${ynew} set atom 81 y ${ynew} set atom 81 y 7.42678799953722 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1433 -2.9871562 -2.3396307 -2.3216601 1434 -2.9871562 -2.3396307 -2.3298181 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 81 x ${x0} set atom 81 x 0.0322040319442937 1 settings made for x set atom $i y ${y0} set atom 81 y ${y0} set atom 81 y 7.38692112293505 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.4949854779112 variable y0 equal ${yi} variable y0 equal 0.0935324668884274 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.43223741530057 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.0405578255653378 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1434 -2.9871562 -2.3396307 -2.3298181 1435 -2.9871562 -2.3396307 -2.3019389 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.4949854779112 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.0935324668884274 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 84 variable x0 equal ${xi} variable x0 equal 1.63794375538607 variable y0 equal ${yi} variable y0 equal 8.371298693791 set atom $i x ${xnew} set atom 84 x ${xnew} set atom 84 x 1.6689266550519 1 settings made for x set atom $i y ${ynew} set atom 84 y ${ynew} set atom 84 y 8.41608450330791 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1435 -2.9871562 -2.3396307 -2.3019389 1436 -2.9871562 -2.3396307 -2.3282724 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 84 x ${x0} set atom 84 x 1.63794375538607 1 settings made for x set atom $i y ${y0} set atom 84 y ${y0} set atom 84 y 8.371298693791 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 23 variable x0 equal ${xi} variable x0 equal 1.07343188841992 variable y0 equal ${yi} variable y0 equal 1.85961672446793 set atom $i x ${xnew} set atom 23 x ${xnew} set atom 23 x 1.17244046052151 1 settings made for x set atom $i y ${ynew} set atom 23 y ${ynew} set atom 23 y 1.7811094441182 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1436 -2.9871562 -2.3396307 -2.3282724 1437 -2.9871562 -2.3396307 -2.2949709 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 23 x ${x0} set atom 23 x 1.07343188841992 1 settings made for x set atom $i y ${y0} set atom 23 y ${y0} set atom 23 y 1.85961672446793 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 42 variable x0 equal ${xi} variable x0 equal 0.500509889522458 variable y0 equal ${yi} variable y0 equal 4.59161240214273 set atom $i x ${xnew} set atom 42 x ${xnew} set atom 42 x 0.413096089759732 1 settings made for x set atom $i y ${ynew} set atom 42 y ${ynew} set atom 42 y 4.51295533532068 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1437 -2.9871562 -2.3396307 -2.2949709 1438 -2.9871562 -2.3396307 -2.2788579 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 42 x ${x0} set atom 42 x 0.500509889522458 1 settings made for x set atom $i y ${y0} set atom 42 y ${y0} set atom 42 y 4.59161240214273 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.1789412740728 variable y0 equal ${yi} variable y0 equal 2.78276804658273 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.2645297650358 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.78277354213098 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1438 -2.9871562 -2.3396307 -2.2788579 1439 -2.9871562 -2.3396307 -2.3306331 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.1789412740728 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.78276804658273 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 73 variable x0 equal ${xi} variable x0 equal 6.42834627150613 variable y0 equal ${yi} variable y0 equal 5.4691439980765 set atom $i x ${xnew} set atom 73 x ${xnew} set atom 73 x 6.44717097996789 1 settings made for x set atom $i y ${ynew} set atom 73 y ${ynew} set atom 73 y 5.51531081145007 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1439 -2.9871562 -2.3396307 -2.3306331 1440 -2.9871562 -2.3396307 -2.3550195 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.35501953854671 variable naccept equal ${increment} variable naccept equal 344 next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.8951647126609 variable y0 equal ${yi} variable y0 equal 2.85868977280953 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 4.7967298471862 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.8725693819175 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1440 -2.9871562 -2.3550195 -2.3550195 1441 -2.9871562 -2.3550195 -2.3357328 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 30 x ${x0} set atom 30 x 4.8951647126609 1 settings made for x set atom $i y ${y0} set atom 30 y ${y0} set atom 30 y 2.85868977280953 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.81688043712911 variable y0 equal ${yi} variable y0 equal 8.38843538679179 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.82160441517171 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.38617150701579 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1441 -2.9871562 -2.3550195 -2.3357328 1442 -2.9871562 -2.3550195 -2.3549408 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.35494083974892 variable naccept equal ${increment} variable naccept equal 345 next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.4949854779112 variable y0 equal ${yi} variable y0 equal 0.0935324668884274 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.58006417034742 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.167373013496399 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1442 -2.9871562 -2.3549408 -2.3549408 1443 -2.9871562 -2.3549408 -2.3447817 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.4949854779112 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.0935324668884274 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.570630665222075 variable y0 equal ${yi} variable y0 equal 0.909747691858138 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.506890590587523 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.879210634935225 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1443 -2.9871562 -2.3549408 -2.3447817 1444 -2.9871562 -2.3549408 -2.3525027 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.570630665222075 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.909747691858138 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.11815181096249 variable y0 equal ${yi} variable y0 equal 7.44427507248187 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.16306649764233 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.49052549925113 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1444 -2.9871562 -2.3549408 -2.3525027 1445 -2.9871562 -2.3549408 -2.3407372 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.11815181096249 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.44427507248187 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.2292649034519 variable y0 equal ${yi} variable y0 equal 0.913150580633014 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.2494753364582 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.96120479892525 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1445 -2.9871562 -2.3549408 -2.3407372 1446 -2.9871562 -2.3549408 -2.349002 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 20 x ${x0} set atom 20 x 10.2292649034519 1 settings made for x set atom $i y ${y0} set atom 20 y ${y0} set atom 20 y 0.913150580633014 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 33 variable x0 equal ${xi} variable x0 equal 6.35099447487909 variable y0 equal ${yi} variable y0 equal 1.92307773015564 set atom $i x ${xnew} set atom 33 x ${xnew} set atom 33 x 6.32729694365579 1 settings made for x set atom $i y ${ynew} set atom 33 y ${ynew} set atom 33 y 1.98108926198547 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1446 -2.9871562 -2.3549408 -2.349002 1447 -2.9871562 -2.3549408 -2.338625 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 33 x ${x0} set atom 33 x 6.35099447487909 1 settings made for x set atom $i y ${y0} set atom 33 y ${y0} set atom 33 y 1.92307773015564 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 84 variable x0 equal ${xi} variable x0 equal 1.63794375538607 variable y0 equal ${yi} variable y0 equal 8.371298693791 set atom $i x ${xnew} set atom 84 x ${xnew} set atom 84 x 1.60521225809832 1 settings made for x set atom $i y ${ynew} set atom 84 y ${ynew} set atom 84 y 8.29312797702846 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1447 -2.9871562 -2.3549408 -2.338625 1448 -2.9871562 -2.3549408 -2.3400205 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 84 x ${x0} set atom 84 x 1.63794375538607 1 settings made for x set atom $i y ${y0} set atom 84 y ${y0} set atom 84 y 8.371298693791 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.46753388483297 variable y0 equal ${yi} variable y0 equal 0.0335806965827942 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.42101664383184 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y 0.0289419174194336 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1448 -2.9871562 -2.3549408 -2.3400205 1449 -2.9871562 -2.3549408 -2.3489485 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.46753388483297 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.0335806965827942 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 87 variable x0 equal ${xi} variable x0 equal 3.20964491128483 variable y0 equal ${yi} variable y0 equal 7.4096286090877 set atom $i x ${xnew} set atom 87 x ${xnew} set atom 87 x 3.14979384898701 1 settings made for x set atom $i y ${ynew} set atom 87 y ${ynew} set atom 87 y 7.42056533422732 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1449 -2.9871562 -2.3549408 -2.3489485 1450 -2.9871562 -2.3549408 -2.3401347 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 87 x ${x0} set atom 87 x 3.20964491128483 1 settings made for x set atom $i y ${y0} set atom 87 y ${y0} set atom 87 y 7.4096286090877 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 17 variable x0 equal ${xi} variable x0 equal 8.5157556430382 variable y0 equal ${yi} variable y0 equal 9.18696020353168 set atom $i x ${xnew} set atom 17 x ${xnew} set atom 17 x 8.50623922505801 1 settings made for x set atom $i y ${ynew} set atom 17 y ${ynew} set atom 17 y 9.10736995447009 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1450 -2.9871562 -2.3549408 -2.3401347 1451 -2.9871562 -2.3549408 -2.3234786 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 17 x ${x0} set atom 17 x 8.5157556430382 1 settings made for x set atom $i y ${y0} set atom 17 y ${y0} set atom 17 y 9.18696020353168 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.2292649034519 variable y0 equal ${yi} variable y0 equal 0.913150580633014 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.2046052936573 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.850503619420856 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1451 -2.9871562 -2.3549408 -2.3234786 1452 -2.9871562 -2.3549408 -2.3476548 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 20 x ${x0} set atom 20 x 10.2292649034519 1 settings made for x set atom $i y ${y0} set atom 20 y ${y0} set atom 20 y 0.913150580633014 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 9 variable x0 equal ${xi} variable x0 equal 4.24272296507568 variable y0 equal ${yi} variable y0 equal 9.33166872966618 set atom $i x ${xnew} set atom 9 x ${xnew} set atom 9 x 4.18006639559478 1 settings made for x set atom $i y ${ynew} set atom 9 y ${ynew} set atom 9 y 9.35423414218754 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1452 -2.9871562 -2.3549408 -2.3476548 1453 -2.9871562 -2.3549408 -2.3370754 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 9 x ${x0} set atom 9 x 4.24272296507568 1 settings made for x set atom $i y ${y0} set atom 9 y ${y0} set atom 9 y 9.33166872966618 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 8 variable x0 equal ${xi} variable x0 equal 3.72333437720424 variable y0 equal ${yi} variable y0 equal 1.06102300475869 set atom $i x ${xnew} set atom 8 x ${xnew} set atom 8 x 3.81610471526271 1 settings made for x set atom $i y ${ynew} set atom 8 y ${ynew} set atom 8 y 1.03987873386178 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1453 -2.9871562 -2.3549408 -2.3370754 1454 -2.9871562 -2.3549408 -2.3346935 Loop time of 8.01086e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 8 x ${x0} set atom 8 x 3.72333437720424 1 settings made for x set atom $i y ${y0} set atom 8 y ${y0} set atom 8 y 1.06102300475869 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.31808795690099 variable y0 equal ${yi} variable y0 equal 5.6091846699019 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.33757749557058 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.5376607293387 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1454 -2.9871562 -2.3549408 -2.3346935 1455 -2.9871562 -2.3549408 -2.3529558 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 67 x ${x0} set atom 67 x 3.31808795690099 1 settings made for x set atom $i y ${y0} set atom 67 y ${y0} set atom 67 y 5.6091846699019 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.15771750847207 variable y0 equal ${yi} variable y0 equal 7.45649659958148 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.10216642061578 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.4698854359653 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1455 -2.9871562 -2.3549408 -2.3529558 1456 -2.9871562 -2.3549408 -2.3411584 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.15771750847207 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.45649659958148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.48253180264112 variable y0 equal ${yi} variable y0 equal 1.83061694285935 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.40627809046384 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.79728998324936 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1456 -2.9871562 -2.3549408 -2.3411584 1457 -2.9871562 -2.3549408 -2.2778194 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 39 x ${x0} set atom 39 x 9.48253180264112 1 settings made for x set atom $i y ${y0} set atom 39 y ${y0} set atom 39 y 1.83061694285935 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.77143823106718 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.71798951977655 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1457 -2.9871562 -2.3549408 -2.2778194 1458 -2.9871562 -2.3549408 -2.3488871 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 8 variable x0 equal ${xi} variable x0 equal 3.72333437720424 variable y0 equal ${yi} variable y0 equal 1.06102300475869 set atom $i x ${xnew} set atom 8 x ${xnew} set atom 8 x 3.81491672316676 1 settings made for x set atom $i y ${ynew} set atom 8 y ${ynew} set atom 8 y 1.09172373603616 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1458 -2.9871562 -2.3549408 -2.3488871 1459 -2.9871562 -2.3549408 -2.3216644 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 8 x ${x0} set atom 8 x 3.72333437720424 1 settings made for x set atom $i y ${y0} set atom 8 y ${y0} set atom 8 y 1.06102300475869 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.07584694067344 variable y0 equal ${yi} variable y0 equal 0.00976005792616981 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 2.10211095253333 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y -0.0511623024940572 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1459 -2.9871562 -2.3549408 -2.3216644 1460 -2.9871562 -2.3549408 -2.3492762 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 2.07584694067344 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 0.00976005792616981 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.49823891638834 variable y0 equal ${yi} variable y0 equal 3.73309955163132 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.51557409285624 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.75448479218613 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1460 -2.9871562 -2.3549408 -2.3492762 1461 -2.9871562 -2.3549408 -2.3545015 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.35450153633404 variable naccept equal ${increment} variable naccept equal 346 next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.98549635687515 variable y0 equal ${yi} variable y0 equal 2.82734158011773 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 7.04244712868377 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.89622831317284 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1461 -2.9871562 -2.3545015 -2.3545015 1462 -2.9871562 -2.3545015 -2.3342387 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.98549635687515 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.82734158011773 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 81 variable x0 equal ${xi} variable x0 equal 0.0322040319442937 variable y0 equal ${yi} variable y0 equal 7.38692112293505 set atom $i x ${xnew} set atom 81 x ${xnew} set atom 81 x 0.0856049180031011 1 settings made for x set atom $i y ${ynew} set atom 81 y ${ynew} set atom 81 y 7.28934710350298 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1462 -2.9871562 -2.3545015 -2.3342387 1463 -2.9871562 -2.3545015 -2.320176 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 81 x ${x0} set atom 81 x 0.0322040319442937 1 settings made for x set atom $i y ${y0} set atom 81 y ${y0} set atom 81 y 7.38692112293505 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.28738315184327 variable y0 equal ${yi} variable y0 equal 1.92619390866823 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.26957070906373 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.93462480685777 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1463 -2.9871562 -2.3545015 -2.320176 1464 -2.9871562 -2.3545015 -2.3542621 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.35426206390647 variable naccept equal ${increment} variable naccept equal 347 next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.9232274051427 variable y0 equal ${yi} variable y0 equal 8.40573080696162 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.88698596913806 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.45666179575022 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1464 -2.9871562 -2.3542621 -2.3542621 1465 -2.9871562 -2.3542621 -2.3444862 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.9232274051427 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.40573080696162 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.8951647126609 variable y0 equal ${yi} variable y0 equal 2.85868977280953 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 4.93120936989128 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.87007487984994 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1465 -2.9871562 -2.3542621 -2.3444862 1466 -2.9871562 -2.3542621 -2.3423625 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 30 x ${x0} set atom 30 x 4.8951647126609 1 settings made for x set atom $i y ${y0} set atom 30 y ${y0} set atom 30 y 2.85868977280953 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 37 variable x0 equal ${xi} variable x0 equal 8.49348578610842 variable y0 equal ${yi} variable y0 equal 1.80821938893861 set atom $i x ${xnew} set atom 37 x ${xnew} set atom 37 x 8.42770778098528 1 settings made for x set atom $i y ${ynew} set atom 37 y ${ynew} set atom 37 y 1.80480095527238 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1466 -2.9871562 -2.3542621 -2.3423625 1467 -2.9871562 -2.3542621 -2.3471716 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 37 x ${x0} set atom 37 x 8.49348578610842 1 settings made for x set atom $i y ${y0} set atom 37 y ${y0} set atom 37 y 1.80821938893861 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.4157506708166 variable y0 equal ${yi} variable y0 equal 6.43439372316829 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.4859779361746 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.51246143118373 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1467 -2.9871562 -2.3542621 -2.3471716 1468 -2.9871562 -2.3542621 -2.2780837 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.4157506708166 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.43439372316829 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.31808795690099 variable y0 equal ${yi} variable y0 equal 5.6091846699019 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.22048578023473 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.56982244198518 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1468 -2.9871562 -2.3542621 -2.2780837 1469 -2.9871562 -2.3542621 -2.3394138 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 67 x ${x0} set atom 67 x 3.31808795690099 1 settings made for x set atom $i y ${y0} set atom 67 y ${y0} set atom 67 y 5.6091846699019 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.59001860499163 variable y0 equal ${yi} variable y0 equal 4.68076303357049 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.57034656882067 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.74206749552651 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1469 -2.9871562 -2.3542621 -2.3394138 1470 -2.9871562 -2.3542621 -2.3429202 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.59001860499163 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.68076303357049 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 84 variable x0 equal ${xi} variable x0 equal 1.63794375538607 variable y0 equal ${yi} variable y0 equal 8.371298693791 set atom $i x ${xnew} set atom 84 x ${xnew} set atom 84 x 1.71282921910067 1 settings made for x set atom $i y ${ynew} set atom 84 y ${ynew} set atom 84 y 8.35723161615428 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1470 -2.9871562 -2.3542621 -2.3429202 1471 -2.9871562 -2.3542621 -2.3384664 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 84 x ${x0} set atom 84 x 1.63794375538607 1 settings made for x set atom $i y ${y0} set atom 84 y ${y0} set atom 84 y 8.371298693791 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 99 variable x0 equal ${xi} variable x0 equal 9.7112571763861 variable y0 equal ${yi} variable y0 equal 7.38156818475986 set atom $i x ${xnew} set atom 99 x ${xnew} set atom 99 x 9.75838735579131 1 settings made for x set atom $i y ${ynew} set atom 99 y ${ynew} set atom 99 y 7.39466700878406 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1471 -2.9871562 -2.3542621 -2.3384664 1472 -2.9871562 -2.3542621 -2.3415954 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 99 x ${x0} set atom 99 x 9.7112571763861 1 settings made for x set atom $i y ${y0} set atom 99 y ${y0} set atom 99 y 7.38156818475986 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.16921079794274 variable y0 equal ${yi} variable y0 equal 1.86157575032777 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.1170010391842 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.84430436275071 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1472 -2.9871562 -2.3542621 -2.3415954 1473 -2.9871562 -2.3542621 -2.3478311 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.16921079794274 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.86157575032777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 36 variable x0 equal ${xi} variable x0 equal 8.03611046670772 variable y0 equal ${yi} variable y0 equal 2.66520280810693 set atom $i x ${xnew} set atom 36 x ${xnew} set atom 36 x 8.01815503238536 1 settings made for x set atom $i y ${ynew} set atom 36 y ${ynew} set atom 36 y 2.72729808064798 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1473 -2.9871562 -2.3542621 -2.3478311 1474 -2.9871562 -2.3542621 -2.3694307 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.36943069019497 variable naccept equal ${increment} variable naccept equal 348 next iter jump SELF loop variable i equal ${irandom} variable i equal 75 variable x0 equal ${xi} variable x0 equal 7.54070384342442 variable y0 equal ${yi} variable y0 equal 5.62746680920321 set atom $i x ${xnew} set atom 75 x ${xnew} set atom 75 x 7.61902609903584 1 settings made for x set atom $i y ${ynew} set atom 75 y ${ynew} set atom 75 y 5.61938893740374 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1474 -2.9871562 -2.3694307 -2.3694307 1475 -2.9871562 -2.3694307 -2.3424105 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 75 x ${x0} set atom 75 x 7.54070384342442 1 settings made for x set atom $i y ${y0} set atom 75 y ${y0} set atom 75 y 5.62746680920321 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.2292649034519 variable y0 equal ${yi} variable y0 equal 0.913150580633014 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.3007369045276 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.990353544462055 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1475 -2.9871562 -2.3694307 -2.3424105 1476 -2.9871562 -2.3694307 -2.338617 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 20 x ${x0} set atom 20 x 10.2292649034519 1 settings made for x set atom $i y ${y0} set atom 20 y ${y0} set atom 20 y 0.913150580633014 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.87741336464225 variable y0 equal ${yi} variable y0 equal 6.4556893421792 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.92941437601386 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.50210498110285 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1476 -2.9871562 -2.3694307 -2.338617 1477 -2.9871562 -2.3694307 -2.3657876 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.87741336464225 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.4556893421792 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.07315314093276 variable y0 equal ${yi} variable y0 equal 4.61574550026819 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.01011228838607 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.6700352584736 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1477 -2.9871562 -2.3694307 -2.3657876 1478 -2.9871562 -2.3694307 -2.3704325 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.37043247392204 variable naccept equal ${increment} variable naccept equal 349 next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.95025718807079 variable y0 equal ${yi} variable y0 equal 0.949378951299518 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.97699214814998 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 1.0015752632502 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1478 -2.9871562 -2.3704325 -2.3704325 1479 -2.9871562 -2.3704325 -2.3514417 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.95025718807079 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.949378951299518 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.89080204048797 variable y0 equal ${yi} variable y0 equal 0.962413962591011 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.90751540938064 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 0.986440892923195 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1479 -2.9871562 -2.3704325 -2.3514417 1480 -2.9871562 -2.3704325 -2.3657376 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.89080204048797 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 0.962413962591011 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 73 variable x0 equal ${xi} variable x0 equal 6.44717097996789 variable y0 equal ${yi} variable y0 equal 5.51531081145007 set atom $i x ${xnew} set atom 73 x ${xnew} set atom 73 x 6.48661776303369 1 settings made for x set atom $i y ${ynew} set atom 73 y ${ynew} set atom 73 y 5.46587549393374 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1480 -2.9871562 -2.3704325 -2.3657376 1481 -2.9871562 -2.3704325 -2.3460946 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 73 x ${x0} set atom 73 x 6.44717097996789 1 settings made for x set atom $i y ${y0} set atom 73 y ${y0} set atom 73 y 5.51531081145007 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.50331240732442 variable y0 equal ${yi} variable y0 equal 7.44483136263156 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.49140014488469 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.41911385383868 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1481 -2.9871562 -2.3704325 -2.3460946 1482 -2.9871562 -2.3704325 -2.3675316 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 95 x ${x0} set atom 95 x 7.50331240732442 1 settings made for x set atom $i y ${y0} set atom 95 y ${y0} set atom 95 y 7.44483136263156 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.89080204048797 variable y0 equal ${yi} variable y0 equal 0.962413962591011 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.83668004551574 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 0.92783373187812 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1482 -2.9871562 -2.3704325 -2.3675316 1483 -2.9871562 -2.3704325 -2.3601997 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.89080204048797 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 0.962413962591011 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.545649071136379 variable y0 equal ${yi} variable y0 equal 2.77431966039041 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.531227107444668 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.8529121873031 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1483 -2.9871562 -2.3704325 -2.3601997 1484 -2.9871562 -2.3704325 -2.3415874 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.545649071136379 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.77431966039041 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.26957070906373 variable y0 equal ${yi} variable y0 equal 1.93462480685777 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.31467411596986 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.91953432939119 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1484 -2.9871562 -2.3704325 -2.3415874 1485 -2.9871562 -2.3704325 -2.3675499 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.26957070906373 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.93462480685777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.545649071136379 variable y0 equal ${yi} variable y0 equal 2.77431966039041 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.543227596679592 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.7043867466102 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1485 -2.9871562 -2.3704325 -2.3675499 1486 -2.9871562 -2.3704325 -2.3621885 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.545649071136379 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.77431966039041 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 0.0228117227554322 variable y0 equal ${yi} variable y0 equal 1.82412650964326 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x -0.00960502624511712 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.92084378383226 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1486 -2.9871562 -2.3704325 -2.3621885 1487 -2.9871562 -2.3704325 -2.3649158 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 21 x ${x0} set atom 21 x 0.0228117227554322 1 settings made for x set atom $i y ${y0} set atom 21 y ${y0} set atom 21 y 1.82412650964326 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.1610254410764 variable y0 equal ${yi} variable y0 equal 8.2609955064207 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.1299862031003 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.32108940996227 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1487 -2.9871562 -2.3704325 -2.3649158 1488 -2.9871562 -2.3704325 -2.3726887 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.37268873021352 variable naccept equal ${increment} variable naccept equal 350 next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.07584694067344 variable y0 equal ${yi} variable y0 equal 0.00976005792616981 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 2.09751490990028 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y -0.0679888486862264 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1488 -2.9871562 -2.3726887 -2.3726887 1489 -2.9871562 -2.3726887 -2.3612272 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 2.07584694067344 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 0.00976005792616981 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.78193971434718 variable y0 equal ${yi} variable y0 equal 8.31736352361736 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.7289076856721 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.40347735799846 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1489 -2.9871562 -2.3726887 -2.3612272 1490 -2.9871562 -2.3726887 -2.3663291 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.78193971434718 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.31736352361736 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.0769247591386 variable y0 equal ${yi} variable y0 equal 8.24582147516306 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.10414947866298 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.21895248807962 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1490 -2.9871562 -2.3726887 -2.3663291 1491 -2.9871562 -2.3726887 -2.3605677 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.0769247591386 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.24582147516306 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.82160441517171 variable y0 equal ${yi} variable y0 equal 8.38617150701579 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.73079706072148 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.29423174776134 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1491 -2.9871562 -2.3726887 -2.3605677 1492 -2.9871562 -2.3726887 -2.3271389 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.82160441517171 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.38617150701579 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.54351456640837 variable y0 equal ${yi} variable y0 equal 3.68936000628603 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.58711407660124 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.62950555844439 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1492 -2.9871562 -2.3726887 -2.3271389 1493 -2.9871562 -2.3726887 -2.3717984 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 59 x ${x0} set atom 59 x 9.54351456640837 1 settings made for x set atom $i y ${y0} set atom 59 y ${y0} set atom 59 y 3.68936000628603 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 75 variable x0 equal ${xi} variable x0 equal 7.54070384342442 variable y0 equal ${yi} variable y0 equal 5.62746680920321 set atom $i x ${xnew} set atom 75 x ${xnew} set atom 75 x 7.50203043062458 1 settings made for x set atom $i y ${ynew} set atom 75 y ${ynew} set atom 75 y 5.62832393591601 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1493 -2.9871562 -2.3726887 -2.3717984 1494 -2.9871562 -2.3726887 -2.3710469 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 75 x ${x0} set atom 75 x 7.54070384342442 1 settings made for x set atom $i y ${y0} set atom 75 y ${y0} set atom 75 y 5.62746680920321 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 63 variable x0 equal ${xi} variable x0 equal 1.04039912541561 variable y0 equal ${yi} variable y0 equal 5.56148483698564 set atom $i x ${xnew} set atom 63 x ${xnew} set atom 63 x 1.00235855897121 1 settings made for x set atom $i y ${ynew} set atom 63 y ${ynew} set atom 63 y 5.63126721327501 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1494 -2.9871562 -2.3726887 -2.3710469 1495 -2.9871562 -2.3726887 -2.3366292 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 63 x ${x0} set atom 63 x 1.04039912541561 1 settings made for x set atom $i y ${y0} set atom 63 y ${y0} set atom 63 y 5.56148483698564 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.570630665222075 variable y0 equal ${yi} variable y0 equal 0.909747691858138 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.647087474265959 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.910117705571975 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1495 -2.9871562 -2.3726887 -2.3366292 1496 -2.9871562 -2.3726887 -2.3602876 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.570630665222075 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.909747691858138 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 17 variable x0 equal ${xi} variable x0 equal 8.5157556430382 variable y0 equal ${yi} variable y0 equal 9.18696020353168 set atom $i x ${xnew} set atom 17 x ${xnew} set atom 17 x 8.44088740506594 1 settings made for x set atom $i y ${ynew} set atom 17 y ${ynew} set atom 17 y 9.25733234393924 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1496 -2.9871562 -2.3726887 -2.3602876 1497 -2.9871562 -2.3726887 -2.375232 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.37523195612152 variable naccept equal ${increment} variable naccept equal 351 next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.30100279251004 variable y0 equal ${yi} variable y0 equal 7.47468527879977 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.2965234319296 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.50021761980319 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1497 -2.9871562 -2.375232 -2.375232 1498 -2.9871562 -2.375232 -2.3695333 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.30100279251004 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.47468527879977 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.36479252655717 variable y0 equal ${yi} variable y0 equal 7.37975311603808 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.32252682526322 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.38917808857226 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1498 -2.9871562 -2.375232 -2.3695333 1499 -2.9871562 -2.375232 -2.3947686 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.39476858179107 variable naccept equal ${increment} variable naccept equal 352 next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.96878697831622 variable y0 equal ${yi} variable y0 equal 6.53832680717936 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 5.9446061368703 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.48542789951792 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1499 -2.9871562 -2.3947686 -2.3947686 1500 -2.9871562 -2.3947686 -2.3943736 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 72 x ${x0} set atom 72 x 5.96878697831622 1 settings made for x set atom $i y ${y0} set atom 72 y ${y0} set atom 72 y 6.53832680717936 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.96878697831622 variable y0 equal ${yi} variable y0 equal 6.53832680717936 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 6.0639265533208 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.469044120469 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1500 -2.9871562 -2.3947686 -2.3943736 1501 -2.9871562 -2.3947686 -2.3845998 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 72 x ${x0} set atom 72 x 5.96878697831622 1 settings made for x set atom $i y ${y0} set atom 72 y ${y0} set atom 72 y 6.53832680717936 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.50331240732442 variable y0 equal ${yi} variable y0 equal 7.44483136263156 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.43179693062078 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.46337099399829 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1501 -2.9871562 -2.3947686 -2.3845998 1502 -2.9871562 -2.3947686 -2.3813945 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 95 x ${x0} set atom 95 x 7.50331240732442 1 settings made for x set atom $i y ${y0} set atom 95 y ${y0} set atom 95 y 7.44483136263156 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.78488953311874 variable y0 equal ${yi} variable y0 equal 6.49416505829325 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.78527783353759 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.5906715227746 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1502 -2.9871562 -2.3947686 -2.3813945 1503 -2.9871562 -2.3947686 -2.3569088 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 66 x ${x0} set atom 66 x 2.78488953311874 1 settings made for x set atom $i y ${y0} set atom 66 y ${y0} set atom 66 y 6.49416505829325 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.28582660038682 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.58978760187823 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1503 -2.9871562 -2.3947686 -2.3569088 1504 -2.9871562 -2.3947686 -2.3725089 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 93 variable x0 equal ${xi} variable x0 equal 6.45546932934839 variable y0 equal ${yi} variable y0 equal 7.46753717985414 set atom $i x ${xnew} set atom 93 x ${xnew} set atom 93 x 6.39690632342417 1 settings made for x set atom $i y ${ynew} set atom 93 y ${ynew} set atom 93 y 7.56180018511079 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1504 -2.9871562 -2.3947686 -2.3725089 1505 -2.9871562 -2.3947686 -2.3762551 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 93 x ${x0} set atom 93 x 6.45546932934839 1 settings made for x set atom $i y ${y0} set atom 93 y ${y0} set atom 93 y 7.46753717985414 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 10 variable x0 equal ${xi} variable x0 equal 4.77766234516441 variable y0 equal ${yi} variable y0 equal 0.927607925641864 set atom $i x ${xnew} set atom 10 x ${xnew} set atom 10 x 4.83681716560661 1 settings made for x set atom $i y ${ynew} set atom 10 y ${ynew} set atom 10 y 0.978899713266223 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1505 -2.9871562 -2.3947686 -2.3762551 1506 -2.9871562 -2.3947686 -2.3926418 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 10 x ${x0} set atom 10 x 4.77766234516441 1 settings made for x set atom $i y ${y0} set atom 10 y ${y0} set atom 10 y 0.927607925641864 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.67657356142779 variable y0 equal ${yi} variable y0 equal 6.46560488478176 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.64003955006381 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.50845887199871 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1506 -2.9871562 -2.3947686 -2.3926418 1507 -2.9871562 -2.3947686 -2.3868438 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.67657356142779 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.46560488478176 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 74 variable x0 equal ${xi} variable x0 equal 7.09398345032379 variable y0 equal ${yi} variable y0 equal 6.52802731529703 set atom $i x ${xnew} set atom 74 x ${xnew} set atom 74 x 7.01612979450867 1 settings made for x set atom $i y ${ynew} set atom 74 y ${ynew} set atom 74 y 6.42892779842844 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1507 -2.9871562 -2.3947686 -2.3868438 1508 -2.9871562 -2.3947686 -2.3888315 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 74 x ${x0} set atom 74 x 7.09398345032379 1 settings made for x set atom $i y ${y0} set atom 74 y ${y0} set atom 74 y 6.52802731529703 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.41745940843489 variable y0 equal ${yi} variable y0 equal 5.54884942715364 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.34412993589308 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.60858879034715 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1508 -2.9871562 -2.3947686 -2.3888315 1509 -2.9871562 -2.3947686 -2.3651189 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.41745940843489 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.54884942715364 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.64134974360247 variable y0 equal ${yi} variable y0 equal 0.972303231466143 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.54811446547289 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 1.07000118087563 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1509 -2.9871562 -2.3947686 -2.3651189 1510 -2.9871562 -2.3947686 -2.3320875 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.64134974360247 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.972303231466143 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.26957070906373 variable y0 equal ${yi} variable y0 equal 1.93462480685777 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.35171856959077 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.87056308171815 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1510 -2.9871562 -2.3947686 -2.3320875 1511 -2.9871562 -2.3947686 -2.3740969 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.26957070906373 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.93462480685777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.32212101617719 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y -0.0430850386619593 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1511 -2.9871562 -2.3947686 -2.3740969 1512 -2.9871562 -2.3947686 -2.391497 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.26957070906373 variable y0 equal ${yi} variable y0 equal 1.93462480685777 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.19859944660874 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.98951424739427 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1512 -2.9871562 -2.3947686 -2.391497 1513 -2.9871562 -2.3947686 -2.3656805 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.26957070906373 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.93462480685777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.2292649034519 variable y0 equal ${yi} variable y0 equal 0.913150580633014 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.2425577644367 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.970871837842792 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1513 -2.9871562 -2.3947686 -2.3656805 1514 -2.9871562 -2.3947686 -2.3885654 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 20 x ${x0} set atom 20 x 10.2292649034519 1 settings made for x set atom $i y ${y0} set atom 20 y ${y0} set atom 20 y 0.913150580633014 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 3 variable x0 equal ${xi} variable x0 equal 0.984874358970454 variable y0 equal ${yi} variable y0 equal 9.19249844062656 set atom $i x ${xnew} set atom 3 x ${xnew} set atom 3 x 1.01880672295742 1 settings made for x set atom $i y ${ynew} set atom 3 y ${ynew} set atom 3 y 9.13399792421192 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1514 -2.9871562 -2.3947686 -2.3885654 1515 -2.9871562 -2.3947686 -2.3735659 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 3 x ${x0} set atom 3 x 0.984874358970454 1 settings made for x set atom $i y ${y0} set atom 3 y ${y0} set atom 3 y 9.19249844062656 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.19388546387063 variable y0 equal ${yi} variable y0 equal 3.77270575328004 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.26030419508325 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.80438035292756 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1515 -2.9871562 -2.3947686 -2.3735659 1516 -2.9871562 -2.3947686 -2.3784183 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.19388546387063 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.77270575328004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.82160441517171 variable y0 equal ${yi} variable y0 equal 8.38617150701579 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.79340949892339 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.35282856144008 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1516 -2.9871562 -2.3947686 -2.3784183 1517 -2.9871562 -2.3947686 -2.3895593 Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms 2496.6% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.82160441517171 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.38617150701579 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.78488953311874 variable y0 equal ${yi} variable y0 equal 6.49416505829325 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.68760706384613 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.50340765253535 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1517 -2.9871562 -2.3947686 -2.3895593 1518 -2.9871562 -2.3947686 -2.3989298 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.3989297516472 variable naccept equal ${increment} variable naccept equal 353 next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.51557409285624 variable y0 equal ${yi} variable y0 equal 3.75448479218613 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.47277295111735 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.83231308026444 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1518 -2.9871562 -2.3989298 -2.3989298 1519 -2.9871562 -2.3989298 -2.322835 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 53 x ${x0} set atom 53 x 6.51557409285624 1 settings made for x set atom $i y ${y0} set atom 53 y ${y0} set atom 53 y 3.75448479218613 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 3 variable x0 equal ${xi} variable x0 equal 0.984874358970454 variable y0 equal ${yi} variable y0 equal 9.19249844062656 set atom $i x ${xnew} set atom 3 x ${xnew} set atom 3 x 0.978389027911952 1 settings made for x set atom $i y ${ynew} set atom 3 y ${ynew} set atom 3 y 9.14079703796238 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1519 -2.9871562 -2.3989298 -2.322835 1520 -2.9871562 -2.3989298 -2.3810115 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 3 x ${x0} set atom 3 x 0.984874358970454 1 settings made for x set atom $i y ${y0} set atom 3 y ${y0} set atom 3 y 9.19249844062656 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 17 variable x0 equal ${xi} variable x0 equal 8.44088740506594 variable y0 equal ${yi} variable y0 equal 9.25733234393924 set atom $i x ${xnew} set atom 17 x ${xnew} set atom 17 x 8.36980580249254 1 settings made for x set atom $i y ${ynew} set atom 17 y ${ynew} set atom 17 y 9.26625304925769 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1520 -2.9871562 -2.3989298 -2.3810115 1521 -2.9871562 -2.3989298 -2.3457274 Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 17 x ${x0} set atom 17 x 8.44088740506594 1 settings made for x set atom $i y ${y0} set atom 17 y ${y0} set atom 17 y 9.25733234393924 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.67657356142779 variable y0 equal ${yi} variable y0 equal 6.46560488478176 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.59741409897586 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.52782576815121 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1521 -2.9871562 -2.3989298 -2.3457274 1522 -2.9871562 -2.3989298 -2.3756913 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.67657356142779 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.46560488478176 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.12744101880885 variable y0 equal ${yi} variable y0 equal 6.56631985441675 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 8.14046489595271 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.63681157366266 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1522 -2.9871562 -2.3989298 -2.3756913 1523 -2.9871562 -2.3989298 -2.3663314 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 76 x ${x0} set atom 76 x 8.12744101880885 1 settings made for x set atom $i y ${y0} set atom 76 y ${y0} set atom 76 y 6.56631985441675 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.64328949609225 variable y0 equal ${yi} variable y0 equal 7.40728055563236 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.61642004409259 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.32140074100757 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1523 -2.9871562 -2.3989298 -2.3663314 1524 -2.9871562 -2.3989298 -2.3237529 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 97 x ${x0} set atom 97 x 8.64328949609225 1 settings made for x set atom $i y ${y0} set atom 97 y ${y0} set atom 97 y 7.40728055563236 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.26957070906373 variable y0 equal ${yi} variable y0 equal 1.93462480685777 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.29730551321717 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.92375522039003 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1524 -2.9871562 -2.3989298 -2.3237529 1525 -2.9871562 -2.3989298 -2.3985482 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.26957070906373 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.93462480685777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 36 variable x0 equal ${xi} variable x0 equal 8.01815503238536 variable y0 equal ${yi} variable y0 equal 2.72729808064798 set atom $i x ${xnew} set atom 36 x ${xnew} set atom 36 x 7.98089035152293 1 settings made for x set atom $i y ${ynew} set atom 36 y ${ynew} set atom 36 y 2.77439453574518 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1525 -2.9871562 -2.3989298 -2.3985482 1526 -2.9871562 -2.3989298 -2.3921063 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 36 x ${x0} set atom 36 x 8.01815503238536 1 settings made for x set atom $i y ${y0} set atom 36 y ${y0} set atom 36 y 2.72729808064798 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 41 variable x0 equal ${xi} variable x0 equal 0.0739950656890791 variable y0 equal ${yi} variable y0 equal 3.67012049718035 set atom $i x ${xnew} set atom 41 x ${xnew} set atom 41 x 0.142978250980369 1 settings made for x set atom $i y ${ynew} set atom 41 y ${ynew} set atom 41 y 3.69816256327761 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1526 -2.9871562 -2.3989298 -2.3921063 1527 -2.9871562 -2.3989298 -2.3736839 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 41 x ${x0} set atom 41 x 0.0739950656890791 1 settings made for x set atom $i y ${y0} set atom 41 y ${y0} set atom 41 y 3.67012049718035 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 82 variable x0 equal ${xi} variable x0 equal 0.44764589826193 variable y0 equal ${yi} variable y0 equal 8.32563534893091 set atom $i x ${xnew} set atom 82 x ${xnew} set atom 82 x 0.378554792800809 1 settings made for x set atom $i y ${ynew} set atom 82 y ${ynew} set atom 82 y 8.28918507017191 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1527 -2.9871562 -2.3989298 -2.3736839 1528 -2.9871562 -2.3989298 -2.3771126 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 82 x ${x0} set atom 82 x 0.44764589826193 1 settings made for x set atom $i y ${y0} set atom 82 y ${y0} set atom 82 y 8.32563534893091 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.96878697831622 variable y0 equal ${yi} variable y0 equal 6.53832680717936 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 5.92538883645526 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.57909677759638 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1528 -2.9871562 -2.3989298 -2.3771126 1529 -2.9871562 -2.3989298 -2.3942368 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 72 x ${x0} set atom 72 x 5.96878697831622 1 settings made for x set atom $i y ${y0} set atom 72 y ${y0} set atom 72 y 6.53832680717936 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.50331240732442 variable y0 equal ${yi} variable y0 equal 7.44483136263156 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.43818752605687 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.49267847862506 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1529 -2.9871562 -2.3989298 -2.3942368 1530 -2.9871562 -2.3989298 -2.3839477 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 95 x ${x0} set atom 95 x 7.50331240732442 1 settings made for x set atom $i y ${y0} set atom 95 y ${y0} set atom 95 y 7.44483136263156 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.80759401837473 variable y0 equal ${yi} variable y0 equal 4.6440585290806 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.80756586114054 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.67291865700647 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1530 -2.9871562 -2.3989298 -2.3839477 1531 -2.9871562 -2.3989298 -2.3963064 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.80759401837473 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.6440585290806 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.10189970134594 variable y0 equal ${yi} variable y0 equal 4.6733581578152 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.18322487472393 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.72661550396846 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1531 -2.9871562 -2.3989298 -2.3963064 1532 -2.9871562 -2.3989298 -2.3379857 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 56 x ${x0} set atom 56 x 8.10189970134594 1 settings made for x set atom $i y ${y0} set atom 56 y ${y0} set atom 56 y 4.6733581578152 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.9899615760564 variable y0 equal ${yi} variable y0 equal 4.5907792245762 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 5.92891080338947 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.54894819611474 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1532 -2.9871562 -2.3989298 -2.3379857 1533 -2.9871562 -2.3989298 -2.3559536 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 5.9899615760564 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.5907792245762 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.63001570582171 variable y0 equal ${yi} variable y0 equal 2.83223057957987 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.66828639387866 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.88654494258265 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1533 -2.9871562 -2.3989298 -2.3559536 1534 -2.9871562 -2.3989298 -2.3810364 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 24 x ${x0} set atom 24 x 1.63001570582171 1 settings made for x set atom $i y ${y0} set atom 24 y ${y0} set atom 24 y 2.83223057957987 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.9232274051427 variable y0 equal ${yi} variable y0 equal 8.40573080696162 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.87285548408023 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.36937119878825 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1534 -2.9871562 -2.3989298 -2.3810364 1535 -2.9871562 -2.3989298 -2.4000834 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.40008344278539 variable naccept equal ${increment} variable naccept equal 354 next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 10.6911063273601 variable y0 equal ${yi} variable y0 equal 5.45732250158982 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 10.7156234820537 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.41986849253373 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1535 -2.9871562 -2.4000834 -2.4000834 1536 -2.9871562 -2.4000834 -2.3980907 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 61 x ${x0} set atom 61 x 10.6911063273601 1 settings made for x set atom $i y ${y0} set atom 61 y ${y0} set atom 61 y 5.45732250158982 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.48253180264112 variable y0 equal ${yi} variable y0 equal 1.83061694285935 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.47581311939832 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.92239302775925 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1536 -2.9871562 -2.4000834 -2.3980907 1537 -2.9871562 -2.4000834 -2.3582416 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 39 x ${x0} set atom 39 x 9.48253180264112 1 settings made for x set atom $i y ${y0} set atom 39 y ${y0} set atom 39 y 1.83061694285935 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.15410325844937 variable y0 equal ${yi} variable y0 equal 3.75003771348131 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 1.08761530240231 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.78302318616045 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1537 -2.9871562 -2.4000834 -2.3582416 1538 -2.9871562 -2.4000834 -2.3929544 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 43 x ${x0} set atom 43 x 1.15410325844937 1 settings made for x set atom $i y ${y0} set atom 43 y ${y0} set atom 43 y 3.75003771348131 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.67657356142779 variable y0 equal ${yi} variable y0 equal 6.46560488478176 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.74849980950137 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.52998331324093 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1538 -2.9871562 -2.4000834 -2.3929544 1539 -2.9871562 -2.4000834 -2.3696392 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.67657356142779 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.46560488478176 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.68760706384613 variable y0 equal ${yi} variable y0 equal 6.50340765253535 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.74727117021515 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.50648560062877 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1539 -2.9871562 -2.4000834 -2.3696392 1540 -2.9871562 -2.4000834 -2.4024073 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.40240727661624 variable naccept equal ${increment} variable naccept equal 355 next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.01011228838607 variable y0 equal ${yi} variable y0 equal 4.6700352584736 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.01414261141463 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.70482259148523 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1540 -2.9871562 -2.4024073 -2.4024073 1541 -2.9871562 -2.4024073 -2.398619 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.01011228838607 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.6700352584736 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.51557409285624 variable y0 equal ${yi} variable y0 equal 3.75448479218613 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.48506571768839 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.79474062485825 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1541 -2.9871562 -2.4024073 -2.398619 1542 -2.9871562 -2.4024073 -2.3734887 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 53 x ${x0} set atom 53 x 6.51557409285624 1 settings made for x set atom $i y ${y0} set atom 53 y ${y0} set atom 53 y 3.75448479218613 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 62 variable x0 equal ${xi} variable x0 equal 0.654104717174436 variable y0 equal ${yi} variable y0 equal 6.49111358658304 set atom $i x ${xnew} set atom 62 x ${xnew} set atom 62 x 0.623349864879514 1 settings made for x set atom $i y ${ynew} set atom 62 y ${ynew} set atom 62 y 6.45182680622568 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1542 -2.9871562 -2.4024073 -2.3734887 1543 -2.9871562 -2.4024073 -2.3889221 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 62 x ${x0} set atom 62 x 0.654104717174436 1 settings made for x set atom $i y ${y0} set atom 62 y ${y0} set atom 62 y 6.49111358658304 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.9899615760564 variable y0 equal ${yi} variable y0 equal 4.5907792245762 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 5.98997799117557 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.51863608712121 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1543 -2.9871562 -2.4024073 -2.3889221 1544 -2.9871562 -2.4024073 -2.3393202 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 5.9899615760564 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.5907792245762 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.70897163351011 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.7654593741314 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1544 -2.9871562 -2.4024073 -2.3393202 1545 -2.9871562 -2.4024073 -2.3672502 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.31064851680662 variable y0 equal ${yi} variable y0 equal 1.91864991567201 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.33098243871595 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.91473032615251 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1545 -2.9871562 -2.4024073 -2.3672502 1546 -2.9871562 -2.4024073 -2.4028897 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.402889690925 variable naccept equal ${increment} variable naccept equal 356 next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.0769247591386 variable y0 equal ${yi} variable y0 equal 8.24582147516306 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.05432130693294 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.31604041971262 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1546 -2.9871562 -2.4028897 -2.4028897 1547 -2.9871562 -2.4028897 -2.4135028 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.41350275655875 variable naccept equal ${increment} variable naccept equal 357 next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.99518160540611 variable y0 equal ${yi} variable y0 equal 0.952992590177384 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 8.93669414240867 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 0.956166060674515 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1547 -2.9871562 -2.4135028 -2.4135028 1548 -2.9871562 -2.4135028 -2.4011092 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 8.99518160540611 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.952992590177384 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.80623258868343 variable y0 equal ${yi} variable y0 equal 6.50073292986383 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.76841570654995 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.49030009047021 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1548 -2.9871562 -2.4135028 -2.4011092 1549 -2.9871562 -2.4135028 -2.406732 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 68 x ${x0} set atom 68 x 3.80623258868343 1 settings made for x set atom $i y ${y0} set atom 68 y ${y0} set atom 68 y 6.50073292986383 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.4157506708166 variable y0 equal ${yi} variable y0 equal 6.43439372316829 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.4319753173849 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.37492761150829 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1549 -2.9871562 -2.4135028 -2.406732 1550 -2.9871562 -2.4135028 -2.3841926 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.4157506708166 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.43439372316829 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.35812983591767 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.60456684773166 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1550 -2.9871562 -2.4135028 -2.3841926 1551 -2.9871562 -2.4135028 -2.4029863 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.15771750847207 variable y0 equal ${yi} variable y0 equal 7.45649659958148 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.20183300415383 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.41552632179522 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1551 -2.9871562 -2.4135028 -2.4029863 1552 -2.9871562 -2.4135028 -2.4110719 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.15771750847207 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.45649659958148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.11815181096249 variable y0 equal ${yi} variable y0 equal 7.44427507248187 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.04148236830883 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.50534394111895 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1552 -2.9871562 -2.4135028 -2.4110719 1553 -2.9871562 -2.4135028 -2.4025804 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.11815181096249 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.44427507248187 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 87 variable x0 equal ${xi} variable x0 equal 3.20964491128483 variable y0 equal ${yi} variable y0 equal 7.4096286090877 set atom $i x ${xnew} set atom 87 x ${xnew} set atom 87 x 3.11934221744099 1 settings made for x set atom $i y ${ynew} set atom 87 y ${ynew} set atom 87 y 7.43679926719927 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1553 -2.9871562 -2.4135028 -2.4025804 1554 -2.9871562 -2.4135028 -2.3842954 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 87 x ${x0} set atom 87 x 3.20964491128483 1 settings made for x set atom $i y ${y0} set atom 87 y ${y0} set atom 87 y 7.4096286090877 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 8 variable x0 equal ${xi} variable x0 equal 3.72333437720424 variable y0 equal ${yi} variable y0 equal 1.06102300475869 set atom $i x ${xnew} set atom 8 x ${xnew} set atom 8 x 3.73376749077922 1 settings made for x set atom $i y ${ynew} set atom 8 y ${ynew} set atom 8 y 1.11453597139153 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1554 -2.9871562 -2.4135028 -2.3842954 1555 -2.9871562 -2.4135028 -2.3989597 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 8 x ${x0} set atom 8 x 3.72333437720424 1 settings made for x set atom $i y ${y0} set atom 8 y ${y0} set atom 8 y 1.06102300475869 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.4157506708166 variable y0 equal ${yi} variable y0 equal 6.43439372316829 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.359936702635 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.46727336184016 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1555 -2.9871562 -2.4135028 -2.3989597 1556 -2.9871562 -2.4135028 -2.4263412 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.42634115734079 variable naccept equal ${increment} variable naccept equal 358 next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.05432130693294 variable y0 equal ${yi} variable y0 equal 8.31604041971262 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.03264479040004 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.33840985216196 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1556 -2.9871562 -2.4263412 -2.4263412 1557 -2.9871562 -2.4263412 -2.4231086 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.05432130693294 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.31604041971262 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 98 variable x0 equal ${xi} variable x0 equal 9.14319008309395 variable y0 equal ${yi} variable y0 equal 8.37685922302302 set atom $i x ${xnew} set atom 98 x ${xnew} set atom 98 x 9.12701122481377 1 settings made for x set atom $i y ${ynew} set atom 98 y ${ynew} set atom 98 y 8.33418250001963 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1557 -2.9871562 -2.4263412 -2.4231086 1558 -2.9871562 -2.4263412 -2.4276285 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.42762852693561 variable naccept equal ${increment} variable naccept equal 359 next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.67657356142779 variable y0 equal ${yi} variable y0 equal 6.46560488478176 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.68984863638659 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.46641751066677 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1558 -2.9871562 -2.4276285 -2.4276285 1559 -2.9871562 -2.4276285 -2.4281053 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.4281053079419 variable naccept equal ${increment} variable naccept equal 360 next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.50331240732442 variable y0 equal ${yi} variable y0 equal 7.44483136263156 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.42159998256932 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.3825335654285 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1559 -2.9871562 -2.4281053 -2.4281053 1560 -2.9871562 -2.4281053 -2.366014 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 95 x ${x0} set atom 95 x 7.50331240732442 1 settings made for x set atom $i y ${y0} set atom 95 y ${y0} set atom 95 y 7.44483136263156 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.26957070906373 variable y0 equal ${yi} variable y0 equal 1.93462480685777 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.20944970925065 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.86484851024217 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1560 -2.9871562 -2.4281053 -2.366014 1561 -2.9871562 -2.4281053 -2.3953244 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.26957070906373 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.93462480685777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 84 variable x0 equal ${xi} variable x0 equal 1.63794375538607 variable y0 equal ${yi} variable y0 equal 8.371298693791 set atom $i x ${xnew} set atom 84 x ${xnew} set atom 84 x 1.67651214480181 1 settings made for x set atom $i y ${ynew} set atom 84 y ${ynew} set atom 84 y 8.4309720984846 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1561 -2.9871562 -2.4281053 -2.3953244 1562 -2.9871562 -2.4281053 -2.4095055 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 84 x ${x0} set atom 84 x 1.63794375538607 1 settings made for x set atom $i y ${y0} set atom 84 y ${y0} set atom 84 y 8.371298693791 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.24420675992527 variable y0 equal ${yi} variable y0 equal 3.73567457957399 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.190625069137 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.76847841305864 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1562 -2.9871562 -2.4281053 -2.4095055 1563 -2.9871562 -2.4281053 -2.4160381 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.24420675992527 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.73567457957399 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 79 variable x0 equal ${xi} variable x0 equal 9.71175088165876 variable y0 equal ${yi} variable y0 equal 5.71374509279924 set atom $i x ${xnew} set atom 79 x ${xnew} set atom 79 x 9.66362923859236 1 settings made for x set atom $i y ${ynew} set atom 79 y ${ynew} set atom 79 y 5.65359488671022 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1563 -2.9871562 -2.4281053 -2.4160381 1564 -2.9871562 -2.4281053 -2.4433903 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.44339029158283 variable naccept equal ${increment} variable naccept equal 361 next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.98549635687515 variable y0 equal ${yi} variable y0 equal 2.82734158011773 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 7.00084288397476 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.84184651347497 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1564 -2.9871562 -2.4433903 -2.4433903 1565 -2.9871562 -2.4433903 -2.4409578 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.98549635687515 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.82734158011773 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.54351456640837 variable y0 equal ${yi} variable y0 equal 3.68936000628603 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.5929076838362 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.72936759753359 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1565 -2.9871562 -2.4433903 -2.4409578 1566 -2.9871562 -2.4433903 -2.4411512 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 59 x ${x0} set atom 59 x 9.54351456640837 1 settings made for x set atom $i y ${y0} set atom 59 y ${y0} set atom 59 y 3.68936000628603 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.65343800981474 variable y0 equal ${yi} variable y0 equal 2.85940663787225 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.63744316299391 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 2.79807102652887 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1566 -2.9871562 -2.4433903 -2.4411512 1567 -2.9871562 -2.4433903 -2.432475 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 26 x ${x0} set atom 26 x 2.65343800981474 1 settings made for x set atom $i y ${y0} set atom 26 y ${y0} set atom 26 y 2.85940663787225 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.90086858232013 variable y0 equal ${yi} variable y0 equal 2.85332814427712 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.83833728988162 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.78881570073464 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1567 -2.9871562 -2.4433903 -2.432475 1568 -2.9871562 -2.4433903 -2.4197482 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 32 x ${x0} set atom 32 x 5.90086858232013 1 settings made for x set atom $i y ${y0} set atom 32 y ${y0} set atom 32 y 2.85332814427712 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.9899615760564 variable y0 equal ${yi} variable y0 equal 4.5907792245762 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 5.9666222687482 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.61283609026834 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1568 -2.9871562 -2.4433903 -2.4197482 1569 -2.9871562 -2.4433903 -2.450896 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.45089604834326 variable naccept equal ${increment} variable naccept equal 362 next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.64134974360247 variable y0 equal ${yi} variable y0 equal 0.972303231466143 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.64789438128252 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.922867055642931 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1569 -2.9871562 -2.450896 -2.450896 1570 -2.9871562 -2.450896 -2.4501527 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.64134974360247 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.972303231466143 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.90086858232013 variable y0 equal ${yi} variable y0 equal 2.85332814427712 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.91190459687701 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.9168249961982 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1570 -2.9871562 -2.450896 -2.4501527 1571 -2.9871562 -2.450896 -2.414906 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 32 x ${x0} set atom 32 x 5.90086858232013 1 settings made for x set atom $i y ${y0} set atom 32 y ${y0} set atom 32 y 2.85332814427712 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.79425577123594 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.71696392649575 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1571 -2.9871562 -2.450896 -2.414906 1572 -2.9871562 -2.450896 -2.442271 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 33 variable x0 equal ${xi} variable x0 equal 6.35099447487909 variable y0 equal ${yi} variable y0 equal 1.92307773015564 set atom $i x ${xnew} set atom 33 x ${xnew} set atom 33 x 6.31307516812402 1 settings made for x set atom $i y ${ynew} set atom 33 y ${ynew} set atom 33 y 2.0131173529393 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1572 -2.9871562 -2.450896 -2.442271 1573 -2.9871562 -2.450896 -2.4094404 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 33 x ${x0} set atom 33 x 6.35099447487909 1 settings made for x set atom $i y ${y0} set atom 33 y ${y0} set atom 33 y 1.92307773015564 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 98 variable x0 equal ${xi} variable x0 equal 9.12701122481377 variable y0 equal ${yi} variable y0 equal 8.33418250001963 set atom $i x ${xnew} set atom 98 x ${xnew} set atom 98 x 9.10987235028298 1 settings made for x set atom $i y ${ynew} set atom 98 y ${ynew} set atom 98 y 8.24169441379603 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1573 -2.9871562 -2.450896 -2.4094404 1574 -2.9871562 -2.450896 -2.425377 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 98 x ${x0} set atom 98 x 9.12701122481377 1 settings made for x set atom $i y ${y0} set atom 98 y ${y0} set atom 98 y 8.33418250001963 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.1148146752378 variable y0 equal ${yi} variable y0 equal 4.54698911065027 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.1937845949194 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.50690371149942 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1574 -2.9871562 -2.450896 -2.425377 1575 -2.9871562 -2.450896 -2.4472713 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 60 x ${x0} set atom 60 x 10.1148146752378 1 settings made for x set atom $i y ${y0} set atom 60 y ${y0} set atom 60 y 4.54698911065027 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.46130012352677 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.61915866081912 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1575 -2.9871562 -2.450896 -2.4472713 1576 -2.9871562 -2.450896 -2.3933961 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.545649071136379 variable y0 equal ${yi} variable y0 equal 2.77431966039041 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.518098004260921 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.82347578975061 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1576 -2.9871562 -2.450896 -2.3933961 1577 -2.9871562 -2.450896 -2.4346731 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.545649071136379 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.77431966039041 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.570630665222075 variable y0 equal ${yi} variable y0 equal 0.909747691858138 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.551106055179503 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.916648920286025 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1577 -2.9871562 -2.450896 -2.4346731 1578 -2.9871562 -2.450896 -2.4499629 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.570630665222075 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.909747691858138 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.19388546387063 variable y0 equal ${yi} variable y0 equal 3.77270575328004 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.19677552620278 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.74732179207933 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1578 -2.9871562 -2.450896 -2.4499629 1579 -2.9871562 -2.450896 -2.4469368 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.19388546387063 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.77270575328004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.359936702635 variable y0 equal ${yi} variable y0 equal 6.46727336184016 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.3705631975195 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.40602213875285 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1579 -2.9871562 -2.450896 -2.4469368 1580 -2.9871562 -2.450896 -2.4440866 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.359936702635 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.46727336184016 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.74727117021515 variable y0 equal ${yi} variable y0 equal 6.50648560062877 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.7040228505893 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.44690098301402 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1580 -2.9871562 -2.450896 -2.4440866 1581 -2.9871562 -2.450896 -2.4407533 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 66 x ${x0} set atom 66 x 2.74727117021515 1 settings made for x set atom $i y ${y0} set atom 66 y ${y0} set atom 66 y 6.50648560062877 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 9 variable x0 equal ${xi} variable x0 equal 4.24272296507568 variable y0 equal ${yi} variable y0 equal 0.0256201386451842 set atom $i x ${xnew} set atom 9 x ${xnew} set atom 9 x 4.1565468915245 1 settings made for x set atom $i y ${ynew} set atom 9 y ${ynew} set atom 9 y 0.0289194703102233 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1581 -2.9871562 -2.450896 -2.4407533 1582 -2.9871562 -2.450896 -2.4177739 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 9 x ${x0} set atom 9 x 4.24272296507568 1 settings made for x set atom $i y ${y0} set atom 9 y ${y0} set atom 9 y 0.0256201386451842 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.26957070906373 variable y0 equal ${yi} variable y0 equal 1.93462480685777 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.22549367029878 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 2.01229957721299 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1582 -2.9871562 -2.450896 -2.4177739 1583 -2.9871562 -2.450896 -2.4198831 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.26957070906373 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.93462480685777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.01011228838607 variable y0 equal ${yi} variable y0 equal 4.6700352584736 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.03265675583526 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.71612462157174 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1583 -2.9871562 -2.450896 -2.4198831 1584 -2.9871562 -2.450896 -2.4468019 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.01011228838607 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.6700352584736 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.32252682526322 variable y0 equal ${yi} variable y0 equal 7.38917808857226 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.32961675007554 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.36659027662539 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1584 -2.9871562 -2.450896 -2.4468019 1585 -2.9871562 -2.450896 -2.4463638 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.32252682526322 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.38917808857226 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.87285548408023 variable y0 equal ${yi} variable y0 equal 8.36937119878825 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.87724522311679 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.46197051919993 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1585 -2.9871562 -2.450896 -2.4463638 1586 -2.9871562 -2.450896 -2.4379866 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.87285548408023 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.36937119878825 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.32252682526322 variable y0 equal ${yi} variable y0 equal 7.38917808857226 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.33374774534913 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.43485917177462 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1586 -2.9871562 -2.450896 -2.4379866 1587 -2.9871562 -2.450896 -2.4464075 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.32252682526322 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.38917808857226 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.69106418092681 variable y0 equal ${yi} variable y0 equal 0.920749815214004 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.77234693963958 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 0.824113794076766 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1587 -2.9871562 -2.450896 -2.4464075 1588 -2.9871562 -2.450896 -2.3879891 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 6 x ${x0} set atom 6 x 2.69106418092681 1 settings made for x set atom $i y ${y0} set atom 6 y ${y0} set atom 6 y 0.920749815214004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.72103913028669 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.65216712111398 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1588 -2.9871562 -2.450896 -2.3879891 1589 -2.9871562 -2.450896 -2.4497105 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 36 variable x0 equal ${xi} variable x0 equal 8.01815503238536 variable y0 equal ${yi} variable y0 equal 2.72729808064798 set atom $i x ${xnew} set atom 36 x ${xnew} set atom 36 x 7.92817657588817 1 settings made for x set atom $i y ${ynew} set atom 36 y ${ynew} set atom 36 y 2.75761023732523 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1589 -2.9871562 -2.450896 -2.4497105 1590 -2.9871562 -2.450896 -2.4216358 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 36 x ${x0} set atom 36 x 8.01815503238536 1 settings made for x set atom $i y ${y0} set atom 36 y ${y0} set atom 36 y 2.72729808064798 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.4949854779112 variable y0 equal ${yi} variable y0 equal 0.0935324668884274 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.43935335157987 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.181804287433624 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1590 -2.9871562 -2.450896 -2.4216358 1591 -2.9871562 -2.450896 -2.3627865 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2436.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.4949854779112 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.0935324668884274 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.19226642608205 variable y0 equal ${yi} variable y0 equal 1.99900682351654 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.24639992475072 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 1.99716008088654 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1591 -2.9871562 -2.450896 -2.3627865 1592 -2.9871562 -2.450896 -2.44952 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 27 x ${x0} set atom 27 x 3.19226642608205 1 settings made for x set atom $i y ${y0} set atom 27 y ${y0} set atom 27 y 1.99900682351654 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.16921079794274 variable y0 equal ${yi} variable y0 equal 1.86157575032777 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.20775610844002 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.88048305890626 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1592 -2.9871562 -2.450896 -2.44952 1593 -2.9871562 -2.450896 -2.445357 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.16921079794274 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.86157575032777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.40156468867379 variable y0 equal ${yi} variable y0 equal 0.00304889678955437 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.32220930575448 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y -0.00712080001830696 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1593 -2.9871562 -2.450896 -2.445357 1594 -2.9871562 -2.450896 -2.4380856 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.40156468867379 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 0.00304889678955437 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.19226642608205 variable y0 equal ${yi} variable y0 equal 1.99900682351654 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.13920174598256 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 1.95148386142319 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1594 -2.9871562 -2.450896 -2.4380856 1595 -2.9871562 -2.450896 -2.4418101 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 27 x ${x0} set atom 27 x 3.19226642608205 1 settings made for x set atom $i y ${y0} set atom 27 y ${y0} set atom 27 y 1.99900682351654 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 79 variable x0 equal ${xi} variable x0 equal 9.66362923859236 variable y0 equal ${yi} variable y0 equal 5.65359488671022 set atom $i x ${xnew} set atom 79 x ${xnew} set atom 79 x 9.56943165539381 1 settings made for x set atom $i y ${ynew} set atom 79 y ${ynew} set atom 79 y 5.74421563093858 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1595 -2.9871562 -2.450896 -2.4418101 1596 -2.9871562 -2.450896 -2.3633962 Loop time of 3.98159e-05 on 1 procs for 1 steps with 100 atoms 2511.6% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 79 x ${x0} set atom 79 x 9.66362923859236 1 settings made for x set atom $i y ${y0} set atom 79 y ${y0} set atom 79 y 5.65359488671022 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.48253180264112 variable y0 equal ${yi} variable y0 equal 1.83061694285935 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.44950131653425 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.89429413459366 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1596 -2.9871562 -2.450896 -2.3633962 1597 -2.9871562 -2.450896 -2.4099102 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 39 x ${x0} set atom 39 x 9.48253180264112 1 settings made for x set atom $i y ${y0} set atom 39 y ${y0} set atom 39 y 1.83061694285935 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.32252682526322 variable y0 equal ${yi} variable y0 equal 7.38917808857226 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.40152424652787 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.30963915910983 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1597 -2.9871562 -2.450896 -2.4099102 1598 -2.9871562 -2.450896 -2.3864102 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.32252682526322 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.38917808857226 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 79 variable x0 equal ${xi} variable x0 equal 9.66362923859236 variable y0 equal ${yi} variable y0 equal 5.65359488671022 set atom $i x ${xnew} set atom 79 x ${xnew} set atom 79 x 9.6686991858351 1 settings made for x set atom $i y ${ynew} set atom 79 y ${ynew} set atom 79 y 5.60080496018129 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1598 -2.9871562 -2.450896 -2.3864102 1599 -2.9871562 -2.450896 -2.446004 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 79 x ${x0} set atom 79 x 9.66362923859236 1 settings made for x set atom $i y ${y0} set atom 79 y ${y0} set atom 79 y 5.65359488671022 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.30100279251004 variable y0 equal ${yi} variable y0 equal 7.47468527879977 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.27225010791684 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.49067966070437 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1599 -2.9871562 -2.450896 -2.446004 1600 -2.9871562 -2.450896 -2.4338001 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.30100279251004 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.47468527879977 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.30100279251004 variable y0 equal ${yi} variable y0 equal 7.47468527879977 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.34481133619214 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.55117000665927 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1600 -2.9871562 -2.450896 -2.4338001 1601 -2.9871562 -2.450896 -2.4348585 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.30100279251004 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.47468527879977 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.19226642608205 variable y0 equal ${yi} variable y0 equal 1.99900682351654 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.18523547410527 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 1.96640520474976 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1601 -2.9871562 -2.450896 -2.4348585 1602 -2.9871562 -2.450896 -2.4532371 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.45323711314221 variable naccept equal ${increment} variable naccept equal 363 next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.08689599949867 variable y0 equal ${yi} variable y0 equal 4.81755102032586 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.05197459179909 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.83638495558663 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1602 -2.9871562 -2.4532371 -2.4532371 1603 -2.9871562 -2.4532371 -2.4336762 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 58 x ${x0} set atom 58 x 9.08689599949867 1 settings made for x set atom $i y ${y0} set atom 58 y ${y0} set atom 58 y 4.81755102032586 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.15410325844937 variable y0 equal ${yi} variable y0 equal 3.75003771348131 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 1.19775084574872 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.69769621653688 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1603 -2.9871562 -2.4532371 -2.4336762 1604 -2.9871562 -2.4532371 -2.4350276 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 43 x ${x0} set atom 43 x 1.15410325844937 1 settings made for x set atom $i y ${y0} set atom 43 y ${y0} set atom 43 y 3.75003771348131 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.48253180264112 variable y0 equal ${yi} variable y0 equal 1.83061694285935 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.50094277142164 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.79520596644944 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1604 -2.9871562 -2.4532371 -2.4350276 1605 -2.9871562 -2.4532371 -2.4589266 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.45892664860956 variable naccept equal ${increment} variable naccept equal 364 next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.24420675992527 variable y0 equal ${yi} variable y0 equal 3.73567457957399 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.21471879243412 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.81803830428255 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1605 -2.9871562 -2.4589266 -2.4589266 1606 -2.9871562 -2.4589266 -2.4408121 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.24420675992527 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.73567457957399 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.9666222687482 variable y0 equal ${yi} variable y0 equal 4.61283609026834 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 5.90822091062061 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.56071637028619 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1606 -2.9871562 -2.4589266 -2.4408121 1607 -2.9871562 -2.4589266 -2.4064133 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 5.9666222687482 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.61283609026834 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.87285548408023 variable y0 equal ${yi} variable y0 equal 8.36937119878825 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.82706710059634 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.37034611620006 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1607 -2.9871562 -2.4589266 -2.4064133 1608 -2.9871562 -2.4589266 -2.4504734 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.87285548408023 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.36937119878825 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.16921079794274 variable y0 equal ${yi} variable y0 equal 1.86157575032777 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.18803927341805 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.80503235242433 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1608 -2.9871562 -2.4589266 -2.4504734 1609 -2.9871562 -2.4589266 -2.4441883 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.16921079794274 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.86157575032777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 63 variable x0 equal ${xi} variable x0 equal 1.04039912541561 variable y0 equal ${yi} variable y0 equal 5.56148483698564 set atom $i x ${xnew} set atom 63 x ${xnew} set atom 63 x 1.09504661877804 1 settings made for x set atom $i y ${ynew} set atom 63 y ${ynew} set atom 63 y 5.64389145319658 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1609 -2.9871562 -2.4589266 -2.4441883 1610 -2.9871562 -2.4589266 -2.4363972 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 63 x ${x0} set atom 63 x 1.04039912541561 1 settings made for x set atom $i y ${y0} set atom 63 y ${y0} set atom 63 y 5.56148483698564 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.87741336464225 variable y0 equal ${yi} variable y0 equal 6.4556893421792 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.92132080435096 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.46895430819025 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1610 -2.9871562 -2.4589266 -2.4363972 1611 -2.9871562 -2.4589266 -2.4578566 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.87741336464225 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.4556893421792 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.15410325844937 variable y0 equal ${yi} variable y0 equal 3.75003771348131 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 1.15496849139386 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.68203727765215 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1611 -2.9871562 -2.4589266 -2.4578566 1612 -2.9871562 -2.4589266 -2.4507873 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 43 x ${x0} set atom 43 x 1.15410325844937 1 settings made for x set atom $i y ${y0} set atom 43 y ${y0} set atom 43 y 3.75003771348131 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.05432130693294 variable y0 equal ${yi} variable y0 equal 8.31604041971262 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.06400009988643 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.28575677789743 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1612 -2.9871562 -2.4589266 -2.4507873 1613 -2.9871562 -2.4589266 -2.4574311 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.05432130693294 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.31604041971262 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.2292649034519 variable y0 equal ${yi} variable y0 equal 0.913150580633014 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.2236426238079 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.976471753824085 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1613 -2.9871562 -2.4589266 -2.4574311 1614 -2.9871562 -2.4589266 -2.4542614 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 20 x ${x0} set atom 20 x 10.2292649034519 1 settings made for x set atom $i y ${y0} set atom 20 y ${y0} set atom 20 y 0.913150580633014 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.82160441517171 variable y0 equal ${yi} variable y0 equal 8.38617150701579 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.82822895883855 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.37954178966578 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1614 -2.9871562 -2.4589266 -2.4542614 1615 -2.9871562 -2.4589266 -2.4578942 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.82160441517171 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.38617150701579 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.15111655909569 variable y0 equal ${yi} variable y0 equal 6.52915453449718 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 9.09967429358513 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.50012155310146 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1615 -2.9871562 -2.4589266 -2.4578942 1616 -2.9871562 -2.4589266 -2.44151 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 78 x ${x0} set atom 78 x 9.15111655909569 1 settings made for x set atom $i y ${y0} set atom 78 y ${y0} set atom 78 y 6.52915453449718 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 0.0228117227554322 variable y0 equal ${yi} variable y0 equal 1.82412650964326 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x -0.0191932797431945 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.84549867293901 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1616 -2.9871562 -2.4589266 -2.44151 1617 -2.9871562 -2.4589266 -2.4626071 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.4626070936077 variable naccept equal ${increment} variable naccept equal 365 next iter jump SELF loop variable i equal ${irandom} variable i equal 99 variable x0 equal ${xi} variable x0 equal 9.7112571763861 variable y0 equal ${yi} variable y0 equal 7.38156818475986 set atom $i x ${xnew} set atom 99 x ${xnew} set atom 99 x 9.76422745464919 1 settings made for x set atom $i y ${ynew} set atom 99 y ${ynew} set atom 99 y 7.4483330043819 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1617 -2.9871562 -2.4626071 -2.4626071 1618 -2.9871562 -2.4626071 -2.4366013 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 99 x ${x0} set atom 99 x 9.7112571763861 1 settings made for x set atom $i y ${y0} set atom 99 y ${y0} set atom 99 y 7.38156818475986 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.1299862031003 variable y0 equal ${yi} variable y0 equal 8.32108940996227 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.131702781107 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.31063791431484 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1618 -2.9871562 -2.4626071 -2.4366013 1619 -2.9871562 -2.4626071 -2.462509 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.46250898762821 variable naccept equal ${increment} variable naccept equal 366 next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.33098243871595 variable y0 equal ${yi} variable y0 equal 1.91473032615251 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.37719469467069 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.88595927140779 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1619 -2.9871562 -2.462509 -2.462509 1620 -2.9871562 -2.462509 -2.4552999 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 31 x ${x0} set atom 31 x 5.33098243871595 1 settings made for x set atom $i y ${y0} set atom 31 y ${y0} set atom 31 y 1.91473032615251 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.69106418092681 variable y0 equal ${yi} variable y0 equal 0.920749815214004 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.74029633005096 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 0.888885195958938 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1620 -2.9871562 -2.462509 -2.4552999 1621 -2.9871562 -2.462509 -2.4490736 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 6 x ${x0} set atom 6 x 2.69106418092681 1 settings made for x set atom $i y ${y0} set atom 6 y ${y0} set atom 6 y 0.920749815214004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.8951647126609 variable y0 equal ${yi} variable y0 equal 2.85868977280953 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 4.90128215193092 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.91705642911294 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1621 -2.9871562 -2.462509 -2.4490736 1622 -2.9871562 -2.462509 -2.4470635 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 30 x ${x0} set atom 30 x 4.8951647126609 1 settings made for x set atom $i y ${y0} set atom 30 y ${y0} set atom 30 y 2.85868977280953 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.46753388483297 variable y0 equal ${yi} variable y0 equal 0.0335806965827942 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.46853647072088 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y -0.0272998213768005 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1622 -2.9871562 -2.462509 -2.4470635 1623 -2.9871562 -2.462509 -2.4522103 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.46753388483297 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.0335806965827942 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 23 variable x0 equal ${xi} variable x0 equal 1.07343188841992 variable y0 equal ${yi} variable y0 equal 1.85961672446793 set atom $i x ${xnew} set atom 23 x ${xnew} set atom 23 x 1.10123204310589 1 settings made for x set atom $i y ${ynew} set atom 23 y ${ynew} set atom 23 y 1.81472272059983 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1623 -2.9871562 -2.462509 -2.4522103 1624 -2.9871562 -2.462509 -2.4543591 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 23 x ${x0} set atom 23 x 1.07343188841992 1 settings made for x set atom $i y ${y0} set atom 23 y ${y0} set atom 23 y 1.85961672446793 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.26957070906373 variable y0 equal ${yi} variable y0 equal 1.93462480685777 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.30053722937318 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.83869626901216 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1624 -2.9871562 -2.462509 -2.4543591 1625 -2.9871562 -2.462509 -2.4438595 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.26957070906373 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.93462480685777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 86 variable x0 equal ${xi} variable x0 equal 2.71264111001922 variable y0 equal ${yi} variable y0 equal 8.37165092147884 set atom $i x ${xnew} set atom 86 x ${xnew} set atom 86 x 2.76135702331497 1 settings made for x set atom $i y ${ynew} set atom 86 y ${ynew} set atom 86 y 8.38866988338527 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1625 -2.9871562 -2.462509 -2.4438595 1626 -2.9871562 -2.462509 -2.4576791 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 86 x ${x0} set atom 86 x 2.71264111001922 1 settings made for x set atom $i y ${y0} set atom 86 y ${y0} set atom 86 y 8.37165092147884 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.64134974360247 variable y0 equal ${yi} variable y0 equal 0.972303231466143 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.60214187979479 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.896476121652453 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1626 -2.9871562 -2.462509 -2.4576791 1627 -2.9871562 -2.462509 -2.4621171 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.64134974360247 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.972303231466143 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.87285548408023 variable y0 equal ${yi} variable y0 equal 8.36937119878825 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.96364414651385 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.37514538682994 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1627 -2.9871562 -2.462509 -2.4621171 1628 -2.9871562 -2.462509 -2.4576648 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.87285548408023 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.36937119878825 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.24420675992527 variable y0 equal ${yi} variable y0 equal 3.73567457957399 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.27833752393284 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.71727128787172 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1628 -2.9871562 -2.462509 -2.4576648 1629 -2.9871562 -2.462509 -2.4607841 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.24420675992527 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.73567457957399 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 98 variable x0 equal ${xi} variable x0 equal 9.12701122481377 variable y0 equal ${yi} variable y0 equal 8.33418250001963 set atom $i x ${xnew} set atom 98 x ${xnew} set atom 98 x 9.09545654971154 1 settings made for x set atom $i y ${ynew} set atom 98 y ${ynew} set atom 98 y 8.37382508434351 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1629 -2.9871562 -2.462509 -2.4607841 1630 -2.9871562 -2.462509 -2.4666251 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.46662511657156 variable naccept equal ${increment} variable naccept equal 367 next iter jump SELF loop variable i equal ${irandom} variable i equal 79 variable x0 equal ${xi} variable x0 equal 9.66362923859236 variable y0 equal ${yi} variable y0 equal 5.65359488671022 set atom $i x ${xnew} set atom 79 x ${xnew} set atom 79 x 9.66060930966017 1 settings made for x set atom $i y ${ynew} set atom 79 y ${ynew} set atom 79 y 5.5690174454947 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1630 -2.9871562 -2.4666251 -2.4666251 1631 -2.9871562 -2.4666251 -2.4482748 Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 79 x ${x0} set atom 79 x 9.66362923859236 1 settings made for x set atom $i y ${y0} set atom 79 y ${y0} set atom 79 y 5.65359488671022 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.22492432355444 variable y0 equal ${yi} variable y0 equal 0.0240613460540867 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.17450014113943 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y 0.112668931484232 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1631 -2.9871562 -2.4666251 -2.4482748 1632 -2.9871562 -2.4666251 -2.4383935 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 7 x ${x0} set atom 7 x 3.22492432355444 1 settings made for x set atom $i y ${y0} set atom 7 y ${y0} set atom 7 y 0.0240613460540867 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 87 variable x0 equal ${xi} variable x0 equal 3.20964491128483 variable y0 equal ${yi} variable y0 equal 7.4096286090877 set atom $i x ${xnew} set atom 87 x ${xnew} set atom 87 x 3.19481903075733 1 settings made for x set atom $i y ${ynew} set atom 87 y ${ynew} set atom 87 y 7.44160034981036 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1632 -2.9871562 -2.4666251 -2.4383935 1633 -2.9871562 -2.4666251 -2.465622 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 87 x ${x0} set atom 87 x 3.20964491128483 1 settings made for x set atom $i y ${y0} set atom 87 y ${y0} set atom 87 y 7.4096286090877 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.81670362273342 variable y0 equal ${yi} variable y0 equal 2.85977786752084 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.76677564898617 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.77941135140756 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1633 -2.9871562 -2.4666251 -2.465622 1634 -2.9871562 -2.4666251 -2.453689 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.81670362273342 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.85977786752084 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.96878697831622 variable y0 equal ${yi} variable y0 equal 6.53832680717936 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 6.06502076346866 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.48564515844813 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1634 -2.9871562 -2.4666251 -2.453689 1635 -2.9871562 -2.4666251 -2.4572285 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 72 x ${x0} set atom 72 x 5.96878697831622 1 settings made for x set atom $i y ${y0} set atom 72 y ${y0} set atom 72 y 6.53832680717936 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.50331240732442 variable y0 equal ${yi} variable y0 equal 7.44483136263156 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.50137958366643 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.52677786674762 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1635 -2.9871562 -2.4666251 -2.4572285 1636 -2.9871562 -2.4666251 -2.450463 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 95 x ${x0} set atom 95 x 7.50331240732442 1 settings made for x set atom $i y ${y0} set atom 95 y ${y0} set atom 95 y 7.44483136263156 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.46753388483297 variable y0 equal ${yi} variable y0 equal 0.0335806965827942 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.39596144993078 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y 0.0906584620475769 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1636 -2.9871562 -2.4666251 -2.450463 1637 -2.9871562 -2.4666251 -2.4633049 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.46753388483297 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.0335806965827942 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.89080204048797 variable y0 equal ${yi} variable y0 equal 0.962413962591011 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.86287730017349 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 0.951794262636024 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1637 -2.9871562 -2.4666251 -2.4633049 1638 -2.9871562 -2.4666251 -2.4648901 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.89080204048797 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 0.962413962591011 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.1148146752378 variable y0 equal ${yi} variable y0 equal 4.54698911065027 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.07712940016 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.48238494748041 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1638 -2.9871562 -2.4666251 -2.4648901 1639 -2.9871562 -2.4666251 -2.4426076 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 60 x ${x0} set atom 60 x 10.1148146752378 1 settings made for x set atom $i y ${y0} set atom 60 y ${y0} set atom 60 y 4.54698911065027 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.54351456640837 variable y0 equal ${yi} variable y0 equal 3.68936000628603 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.54554458140013 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.70140816731585 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1639 -2.9871562 -2.4666251 -2.4426076 1640 -2.9871562 -2.4666251 -2.4671617 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.46716169941917 variable naccept equal ${increment} variable naccept equal 368 next iter jump SELF loop variable i equal ${irandom} variable i equal 86 variable x0 equal ${xi} variable x0 equal 2.71264111001922 variable y0 equal ${yi} variable y0 equal 8.37165092147884 set atom $i x ${xnew} set atom 86 x ${xnew} set atom 86 x 2.6167845745845 1 settings made for x set atom $i y ${ynew} set atom 86 y ${ynew} set atom 86 y 8.35465121187267 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1640 -2.9871562 -2.4671617 -2.4671617 1641 -2.9871562 -2.4671617 -2.4464315 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 86 x ${x0} set atom 86 x 2.71264111001922 1 settings made for x set atom $i y ${y0} set atom 86 y ${y0} set atom 86 y 8.37165092147884 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.50094277142164 variable y0 equal ${yi} variable y0 equal 1.79520596644944 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.55225925921079 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.71296000859803 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1641 -2.9871562 -2.4671617 -2.4464315 1642 -2.9871562 -2.4671617 -2.4553738 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 39 x ${x0} set atom 39 x 9.50094277142164 1 settings made for x set atom $i y ${y0} set atom 39 y ${y0} set atom 39 y 1.79520596644944 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.98549635687515 variable y0 equal ${yi} variable y0 equal 2.82734158011773 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 6.88636125603363 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.82424732419351 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1642 -2.9871562 -2.4671617 -2.4553738 1643 -2.9871562 -2.4671617 -2.4529937 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.98549635687515 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.82734158011773 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.55546174207155 variable y0 equal ${yi} variable y0 equal 5.67337435429292 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.47806070008699 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.58760313933091 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1643 -2.9871562 -2.4671617 -2.4529937 1644 -2.9871562 -2.4671617 -2.428178 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.55546174207155 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.67337435429292 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.89080204048797 variable y0 equal ${yi} variable y0 equal 0.962413962591011 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.9791251329486 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 0.934152837503273 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1644 -2.9871562 -2.4671617 -2.428178 1645 -2.9871562 -2.4671617 -2.4467893 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.89080204048797 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 0.962413962591011 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.23416667381193 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y -0.0174432516098047 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1645 -2.9871562 -2.4671617 -2.4467893 1646 -2.9871562 -2.4671617 -2.4496528 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.07584694067344 variable y0 equal ${yi} variable y0 equal 0.00976005792616981 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 2.17492892185554 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y -0.0125086307525716 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1646 -2.9871562 -2.4671617 -2.4496528 1647 -2.9871562 -2.4671617 -2.4657715 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 2.07584694067344 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 0.00976005792616981 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 12 variable x0 equal ${xi} variable x0 equal 5.85675258595935 variable y0 equal ${yi} variable y0 equal 0.888840575921863 set atom $i x ${xnew} set atom 12 x ${xnew} set atom 12 x 5.84254707057468 1 settings made for x set atom $i y ${ynew} set atom 12 y ${ynew} set atom 12 y 0.912364717233509 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1647 -2.9871562 -2.4671617 -2.4657715 1648 -2.9871562 -2.4671617 -2.4714197 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.47141970084112 variable naccept equal ${increment} variable naccept equal 369 next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.78193971434718 variable y0 equal ${yi} variable y0 equal 8.31736352361736 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.82089993277675 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.31658048547802 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1648 -2.9871562 -2.4714197 -2.4714197 1649 -2.9871562 -2.4714197 -2.4654959 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.78193971434718 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.31736352361736 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 86 variable x0 equal ${xi} variable x0 equal 2.71264111001922 variable y0 equal ${yi} variable y0 equal 8.37165092147884 set atom $i x ${xnew} set atom 86 x ${xnew} set atom 86 x 2.66236852605773 1 settings made for x set atom $i y ${ynew} set atom 86 y ${ynew} set atom 86 y 8.37839212335643 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1649 -2.9871562 -2.4714197 -2.4654959 1650 -2.9871562 -2.4714197 -2.4676988 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 86 x ${x0} set atom 86 x 2.71264111001922 1 settings made for x set atom $i y ${y0} set atom 86 y ${y0} set atom 86 y 8.37165092147884 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.08689599949867 variable y0 equal ${yi} variable y0 equal 4.81755102032586 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 8.99947237689049 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.91237208002969 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1650 -2.9871562 -2.4714197 -2.4676988 1651 -2.9871562 -2.4714197 -2.3324352 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 58 x ${x0} set atom 58 x 9.08689599949867 1 settings made for x set atom $i y ${y0} set atom 58 y ${y0} set atom 58 y 4.81755102032586 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.4949854779112 variable y0 equal ${yi} variable y0 equal 0.0935324668884274 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.46372898100492 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.174446022510528 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1651 -2.9871562 -2.4714197 -2.3324352 1652 -2.9871562 -2.4714197 -2.4131231 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.4949854779112 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.0935324668884274 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.33098243871595 variable y0 equal ${yi} variable y0 equal 1.91473032615251 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.27070095935728 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.96737765452928 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1652 -2.9871562 -2.4714197 -2.4131231 1653 -2.9871562 -2.4714197 -2.4500803 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 31 x ${x0} set atom 31 x 5.33098243871595 1 settings made for x set atom $i y ${y0} set atom 31 y ${y0} set atom 31 y 1.91473032615251 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.1789412740728 variable y0 equal ${yi} variable y0 equal 2.78276804658273 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.241893279936 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.78334926339486 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1653 -2.9871562 -2.4714197 -2.4500803 1654 -2.9871562 -2.4714197 -2.4655428 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.1789412740728 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.78276804658273 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.41745940843489 variable y0 equal ${yi} variable y0 equal 5.54884942715364 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.41077113548186 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.58289376442628 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1654 -2.9871562 -2.4714197 -2.4655428 1655 -2.9871562 -2.4714197 -2.4683223 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.41745940843489 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.54884942715364 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.64134974360247 variable y0 equal ${yi} variable y0 equal 0.972303231466143 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.6009168970563 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.937610264528124 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1655 -2.9871562 -2.4714197 -2.4683223 1656 -2.9871562 -2.4714197 -2.4739629 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.47396293244314 variable naccept equal ${increment} variable naccept equal 370 next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 7.01762646713897 variable y0 equal ${yi} variable y0 equal 8.4145590535551 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 6.99553199091598 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.37164120592174 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1656 -2.9871562 -2.4739629 -2.4739629 1657 -2.9871562 -2.4739629 -2.47647 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.47647000740908 variable naccept equal ${increment} variable naccept equal 371 next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.80623258868343 variable y0 equal ${yi} variable y0 equal 6.50073292986383 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.80638530770427 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.41947159306039 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1657 -2.9871562 -2.47647 -2.47647 1658 -2.9871562 -2.47647 -2.4541469 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 68 x ${x0} set atom 68 x 3.80623258868343 1 settings made for x set atom $i y ${y0} set atom 68 y ${y0} set atom 68 y 6.50073292986383 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 8 variable x0 equal ${xi} variable x0 equal 3.72333437720424 variable y0 equal ${yi} variable y0 equal 1.06102300475869 set atom $i x ${xnew} set atom 8 x ${xnew} set atom 8 x 3.7615873269189 1 settings made for x set atom $i y ${ynew} set atom 8 y ${ynew} set atom 8 y 1.14926235269341 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1658 -2.9871562 -2.47647 -2.4541469 1659 -2.9871562 -2.47647 -2.4318808 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 8 x ${x0} set atom 8 x 3.72333437720424 1 settings made for x set atom $i y ${y0} set atom 8 y ${y0} set atom 8 y 1.06102300475869 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.545649071136379 variable y0 equal ${yi} variable y0 equal 2.77431966039041 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.548666758933925 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.70049442025522 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1659 -2.9871562 -2.47647 -2.4318808 1660 -2.9871562 -2.47647 -2.467211 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2436.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.545649071136379 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.77431966039041 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 9 variable x0 equal ${xi} variable x0 equal 4.24272296507568 variable y0 equal ${yi} variable y0 equal 0.0256201386451842 set atom $i x ${xnew} set atom 9 x ${xnew} set atom 9 x 4.27172728855819 1 settings made for x set atom $i y ${ynew} set atom 9 y ${ynew} set atom 9 y 0.0813508152961852 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1660 -2.9871562 -2.47647 -2.467211 1661 -2.9871562 -2.47647 -2.4667626 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 9 x ${x0} set atom 9 x 4.24272296507568 1 settings made for x set atom $i y ${y0} set atom 9 y ${y0} set atom 9 y 0.0256201386451842 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.05432130693294 variable y0 equal ${yi} variable y0 equal 8.31604041971262 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.11692139505245 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.31449487127359 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1661 -2.9871562 -2.47647 -2.4667626 1662 -2.9871562 -2.47647 -2.4616534 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.05432130693294 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.31604041971262 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 81 variable x0 equal ${xi} variable x0 equal 0.0322040319442937 variable y0 equal ${yi} variable y0 equal 7.38692112293505 set atom $i x ${xnew} set atom 81 x ${xnew} set atom 81 x 0.109834313392658 1 settings made for x set atom $i y ${ynew} set atom 81 y ${ynew} set atom 81 y 7.30399232235216 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1662 -2.9871562 -2.47647 -2.4616534 1663 -2.9871562 -2.47647 -2.4471618 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 81 x ${x0} set atom 81 x 0.0322040319442937 1 settings made for x set atom $i y ${y0} set atom 81 y ${y0} set atom 81 y 7.38692112293505 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 38 variable x0 equal ${xi} variable x0 equal 9.09958864171057 variable y0 equal ${yi} variable y0 equal 2.75573046180108 set atom $i x ${xnew} set atom 38 x ${xnew} set atom 38 x 9.00038189608603 1 settings made for x set atom $i y ${ynew} set atom 38 y ${ynew} set atom 38 y 2.77142339917519 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1663 -2.9871562 -2.47647 -2.4471618 1664 -2.9871562 -2.47647 -2.4588344 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 38 x ${x0} set atom 38 x 9.09958864171057 1 settings made for x set atom $i y ${y0} set atom 38 y ${y0} set atom 38 y 2.75573046180108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 17 variable x0 equal ${xi} variable x0 equal 8.44088740506594 variable y0 equal ${yi} variable y0 equal 9.25733234393924 set atom $i x ${xnew} set atom 17 x ${xnew} set atom 17 x 8.37250555911486 1 settings made for x set atom $i y ${ynew} set atom 17 y ${ynew} set atom 17 y 9.34413278806537 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1664 -2.9871562 -2.47647 -2.4588344 1665 -2.9871562 -2.47647 -2.421037 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 17 x ${x0} set atom 17 x 8.44088740506594 1 settings made for x set atom $i y ${y0} set atom 17 y ${y0} set atom 17 y 9.25733234393924 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 84 variable x0 equal ${xi} variable x0 equal 1.63794375538607 variable y0 equal ${yi} variable y0 equal 8.371298693791 set atom $i x ${xnew} set atom 84 x ${xnew} set atom 84 x 1.55320945858736 1 settings made for x set atom $i y ${ynew} set atom 84 y ${ynew} set atom 84 y 8.29087889112529 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1665 -2.9871562 -2.47647 -2.421037 1666 -2.9871562 -2.47647 -2.4528968 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 84 x ${x0} set atom 84 x 1.63794375538607 1 settings made for x set atom $i y ${y0} set atom 84 y ${y0} set atom 84 y 8.371298693791 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.68984863638659 variable y0 equal ${yi} variable y0 equal 6.46641751066677 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.63580374598284 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.44763776794903 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1666 -2.9871562 -2.47647 -2.4528968 1667 -2.9871562 -2.47647 -2.4670904 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.68984863638659 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.46641751066677 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 87 variable x0 equal ${xi} variable x0 equal 3.20964491128483 variable y0 equal ${yi} variable y0 equal 7.4096286090877 set atom $i x ${xnew} set atom 87 x ${xnew} set atom 87 x 3.14378951549092 1 settings made for x set atom $i y ${ynew} set atom 87 y ${ynew} set atom 87 y 7.47022236910128 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1667 -2.9871562 -2.47647 -2.4670904 1668 -2.9871562 -2.47647 -2.4577131 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 87 x ${x0} set atom 87 x 3.20964491128483 1 settings made for x set atom $i y ${y0} set atom 87 y ${y0} set atom 87 y 7.4096286090877 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.55546174207155 variable y0 equal ${yi} variable y0 equal 5.67337435429292 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.5014714018387 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.59029105847078 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1668 -2.9871562 -2.47647 -2.4577131 1669 -2.9871562 -2.47647 -2.4509308 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.55546174207155 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.67337435429292 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.54554458140013 variable y0 equal ${yi} variable y0 equal 3.70140816731585 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.44731051205275 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.607225735618 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1669 -2.9871562 -2.47647 -2.4509308 1670 -2.9871562 -2.47647 -2.368799 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 59 x ${x0} set atom 59 x 9.54554458140013 1 settings made for x set atom $i y ${y0} set atom 59 y ${y0} set atom 59 y 3.70140816731585 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.55546174207155 variable y0 equal ${yi} variable y0 equal 5.67337435429292 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.48661756673281 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.73395479862886 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1670 -2.9871562 -2.47647 -2.368799 1671 -2.9871562 -2.47647 -2.4071873 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.55546174207155 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.67337435429292 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 37 variable x0 equal ${xi} variable x0 equal 8.49348578610842 variable y0 equal ${yi} variable y0 equal 1.80821938893861 set atom $i x ${xnew} set atom 37 x ${xnew} set atom 37 x 8.45325187602465 1 settings made for x set atom $i y ${ynew} set atom 37 y ${ynew} set atom 37 y 1.81180926940507 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1671 -2.9871562 -2.47647 -2.4071873 1672 -2.9871562 -2.47647 -2.4801572 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.48015720214087 variable naccept equal ${increment} variable naccept equal 372 next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.4949854779112 variable y0 equal ${yi} variable y0 equal 0.0935324668884274 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.40067303656217 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.147239625453949 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1672 -2.9871562 -2.4801572 -2.4801572 1673 -2.9871562 -2.4801572 -2.4008324 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.4949854779112 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.0935324668884274 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 36 variable x0 equal ${xi} variable x0 equal 8.01815503238536 variable y0 equal ${yi} variable y0 equal 2.72729808064798 set atom $i x ${xnew} set atom 36 x ${xnew} set atom 36 x 8.03411150573588 1 settings made for x set atom $i y ${ynew} set atom 36 y ${ynew} set atom 36 y 2.82439221116403 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1673 -2.9871562 -2.4801572 -2.4008324 1674 -2.9871562 -2.4801572 -2.4671513 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 36 x ${x0} set atom 36 x 8.01815503238536 1 settings made for x set atom $i y ${y0} set atom 36 y ${y0} set atom 36 y 2.72729808064798 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.131702781107 variable y0 equal ${yi} variable y0 equal 8.31063791431484 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.1418738488217 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.22159374870357 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1674 -2.9871562 -2.4801572 -2.4671513 1675 -2.9871562 -2.4801572 -2.45394 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 100 x ${x0} set atom 100 x 10.131702781107 1 settings made for x set atom $i y ${y0} set atom 100 y ${y0} set atom 100 y 8.31063791431484 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.63001570582171 variable y0 equal ${yi} variable y0 equal 2.83223057957987 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.55264944910784 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.74963378878931 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1675 -2.9871562 -2.4801572 -2.45394 1676 -2.9871562 -2.4801572 -2.471715 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 24 x ${x0} set atom 24 x 1.63001570582171 1 settings made for x set atom $i y ${y0} set atom 24 y ${y0} set atom 24 y 2.83223057957987 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.18523547410527 variable y0 equal ${yi} variable y0 equal 1.96640520474976 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.18107619046727 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 2.05504829070633 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1676 -2.9871562 -2.4801572 -2.471715 1677 -2.9871562 -2.4801572 -2.4578969 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 27 x ${x0} set atom 27 x 3.18523547410527 1 settings made for x set atom $i y ${y0} set atom 27 y ${y0} set atom 27 y 1.96640520474976 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 6.99553199091598 variable y0 equal ${yi} variable y0 equal 8.37164120592174 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 6.96789559403106 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.43197524465618 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1677 -2.9871562 -2.4801572 -2.4578969 1678 -2.9871562 -2.4801572 -2.47917 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 6.99553199091598 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.37164120592174 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.30100279251004 variable y0 equal ${yi} variable y0 equal 7.47468527879977 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.35422850051785 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.41203050937915 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1678 -2.9871562 -2.4801572 -2.47917 1679 -2.9871562 -2.4801572 -2.4944438 Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.49444375028856 variable naccept equal ${increment} variable naccept equal 373 next iter jump SELF loop variable i equal ${irandom} variable i equal 74 variable x0 equal ${xi} variable x0 equal 7.09398345032379 variable y0 equal ${yi} variable y0 equal 6.52802731529703 set atom $i x ${xnew} set atom 74 x ${xnew} set atom 74 x 7.04742242375061 1 settings made for x set atom $i y ${ynew} set atom 74 y ${ynew} set atom 74 y 6.46128811375131 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1679 -2.9871562 -2.4944438 -2.4944438 1680 -2.9871562 -2.4944438 -2.4951883 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.49518834111784 variable naccept equal ${increment} variable naccept equal 374 next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.54554458140013 variable y0 equal ${yi} variable y0 equal 3.70140816731585 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.58570396183607 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.74172507090701 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1680 -2.9871562 -2.4951883 -2.4951883 1681 -2.9871562 -2.4951883 -2.4893537 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 59 x ${x0} set atom 59 x 9.54554458140013 1 settings made for x set atom $i y ${y0} set atom 59 y ${y0} set atom 59 y 3.70140816731585 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.1789412740728 variable y0 equal ${yi} variable y0 equal 2.78276804658273 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.2237404827139 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.87990647527078 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1681 -2.9871562 -2.4951883 -2.4893537 1682 -2.9871562 -2.4951883 -2.479309 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.1789412740728 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.78276804658273 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.570630665222075 variable y0 equal ${yi} variable y0 equal 0.909747691858138 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.650206466117766 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.871615107763137 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1682 -2.9871562 -2.4951883 -2.479309 1683 -2.9871562 -2.4951883 -2.4679691 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.570630665222075 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.909747691858138 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.81670362273342 variable y0 equal ${yi} variable y0 equal 2.85977786752084 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.88550445357448 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.86145157786706 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1683 -2.9871562 -2.4951883 -2.4679691 1684 -2.9871562 -2.4951883 -2.4783619 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.81670362273342 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.85977786752084 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.80623258868343 variable y0 equal ${yi} variable y0 equal 6.50073292986383 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.79833728591091 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.45531866089334 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1684 -2.9871562 -2.4951883 -2.4783619 1685 -2.9871562 -2.4951883 -2.4870612 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 68 x ${x0} set atom 68 x 3.80623258868343 1 settings made for x set atom $i y ${y0} set atom 68 y ${y0} set atom 68 y 6.50073292986383 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.6111590226346 variable y0 equal ${yi} variable y0 equal 9.22944378364413 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.6229970176869 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 9.18818654525607 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1685 -2.9871562 -2.4951883 -2.4870612 1686 -2.9871562 -2.4951883 -2.4878366 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 1 x ${x0} set atom 1 x 10.6111590226346 1 settings made for x set atom $i y ${y0} set atom 1 y ${y0} set atom 1 y 9.22944378364413 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.11815181096249 variable y0 equal ${yi} variable y0 equal 7.44427507248187 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.15688115676098 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.3488747271564 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1686 -2.9871562 -2.4951883 -2.4878366 1687 -2.9871562 -2.4951883 -2.4767074 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.11815181096249 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.44427507248187 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 10 variable x0 equal ${xi} variable x0 equal 4.77766234516441 variable y0 equal ${yi} variable y0 equal 0.927607925641864 set atom $i x ${xnew} set atom 10 x ${xnew} set atom 10 x 4.71939723133384 1 settings made for x set atom $i y ${ynew} set atom 10 y ${ynew} set atom 10 y 0.890196736562579 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1687 -2.9871562 -2.4951883 -2.4767074 1688 -2.9871562 -2.4951883 -2.4786 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 10 x ${x0} set atom 10 x 4.77766234516441 1 settings made for x set atom $i y ${y0} set atom 10 y ${y0} set atom 10 y 0.927607925641864 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 9 variable x0 equal ${xi} variable x0 equal 4.24272296507568 variable y0 equal ${yi} variable y0 equal 0.0256201386451842 set atom $i x ${xnew} set atom 9 x ${xnew} set atom 9 x 4.29355685789795 1 settings made for x set atom $i y ${ynew} set atom 9 y ${ynew} set atom 9 y 0.0588366866111876 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1688 -2.9871562 -2.4951883 -2.4786 1689 -2.9871562 -2.4951883 -2.4863956 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 9 x ${x0} set atom 9 x 4.24272296507568 1 settings made for x set atom $i y ${y0} set atom 9 y ${y0} set atom 9 y 0.0256201386451842 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.39495646158125 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y 0.0706821441650366 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1689 -2.9871562 -2.4951883 -2.4863956 1690 -2.9871562 -2.4951883 -2.4654216 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.64328949609225 variable y0 equal ${yi} variable y0 equal 7.40728055563236 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.55128679433291 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.43494105663563 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1690 -2.9871562 -2.4951883 -2.4654216 1691 -2.9871562 -2.4951883 -2.4864511 Loop time of 3.57628e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 97 x ${x0} set atom 97 x 8.64328949609225 1 settings made for x set atom $i y ${y0} set atom 97 y ${y0} set atom 97 y 7.40728055563236 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.11815181096249 variable y0 equal ${yi} variable y0 equal 7.44427507248187 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.16958295424633 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.50933714237475 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1691 -2.9871562 -2.4951883 -2.4864511 1692 -2.9871562 -2.4951883 -2.4732912 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.11815181096249 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.44427507248187 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.55546174207155 variable y0 equal ${yi} variable y0 equal 5.67337435429292 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.48119956412737 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.65949252789216 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1692 -2.9871562 -2.4951883 -2.4732912 1693 -2.9871562 -2.4951883 -2.4663966 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.55546174207155 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.67337435429292 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.98549635687515 variable y0 equal ${yi} variable y0 equal 2.82734158011773 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 7.02145066538498 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.81503593894341 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1693 -2.9871562 -2.4951883 -2.4663966 1694 -2.9871562 -2.4951883 -2.487476 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.98549635687515 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.82734158011773 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.73327985008192 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.59383653754159 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1694 -2.9871562 -2.4951883 -2.487476 1695 -2.9871562 -2.4951883 -2.4784214 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.131702781107 variable y0 equal ${yi} variable y0 equal 8.31063791431484 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.0656125787755 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.24207219995556 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1695 -2.9871562 -2.4951883 -2.4784214 1696 -2.9871562 -2.4951883 -2.4504695 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 100 x ${x0} set atom 100 x 10.131702781107 1 settings made for x set atom $i y ${y0} set atom 100 y ${y0} set atom 100 y 8.31063791431484 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 79 variable x0 equal ${xi} variable x0 equal 9.66362923859236 variable y0 equal ${yi} variable y0 equal 5.65359488671022 set atom $i x ${xnew} set atom 79 x ${xnew} set atom 79 x 9.59307392119047 1 settings made for x set atom $i y ${ynew} set atom 79 y ${ynew} set atom 79 y 5.58392617647844 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1696 -2.9871562 -2.4951883 -2.4504695 1697 -2.9871562 -2.4951883 -2.4522836 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 79 x ${x0} set atom 79 x 9.66362923859236 1 settings made for x set atom $i y ${y0} set atom 79 y ${y0} set atom 79 y 5.65359488671022 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.23979663292276 variable y0 equal ${yi} variable y0 equal 5.5713402385016 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.2245931927334 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.61430882160859 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1697 -2.9871562 -2.4951883 -2.4522836 1698 -2.9871562 -2.4951883 -2.491508 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.23979663292276 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.5713402385016 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.68984863638659 variable y0 equal ${yi} variable y0 equal 6.46641751066677 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.7109760272481 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.49060356155865 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1698 -2.9871562 -2.4951883 -2.491508 1699 -2.9871562 -2.4951883 -2.4946728 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.68984863638659 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.46641751066677 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.51557409285624 variable y0 equal ${yi} variable y0 equal 3.75448479218613 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.54187380789835 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.69490446610581 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1699 -2.9871562 -2.4951883 -2.4946728 1700 -2.9871562 -2.4951883 -2.4883114 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 53 x ${x0} set atom 53 x 6.51557409285624 1 settings made for x set atom $i y ${y0} set atom 53 y ${y0} set atom 53 y 3.75448479218613 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 10.7265060384922 variable y0 equal ${yi} variable y0 equal 1.84549867293901 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x 10.738069279974 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.92660813710756 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1700 -2.9871562 -2.4951883 -2.4883114 1701 -2.9871562 -2.4951883 -2.4841252 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 21 x ${x0} set atom 21 x 10.7265060384922 1 settings made for x set atom $i y ${y0} set atom 21 y ${y0} set atom 21 y 1.84549867293901 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.1148146752378 variable y0 equal ${yi} variable y0 equal 4.54698911065027 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.146871400263 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.57325408810541 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1701 -2.9871562 -2.4951883 -2.4841252 1702 -2.9871562 -2.4951883 -2.4978344 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.49783441463249 variable naccept equal ${increment} variable naccept equal 375 next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.24420675992527 variable y0 equal ${yi} variable y0 equal 3.73567457957399 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.28501934766331 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.68072371049059 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1702 -2.9871562 -2.4978344 -2.4978344 1703 -2.9871562 -2.4978344 -2.4860441 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.24420675992527 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.73567457957399 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 63 variable x0 equal ${xi} variable x0 equal 1.04039912541561 variable y0 equal ${yi} variable y0 equal 5.56148483698564 set atom $i x ${xnew} set atom 63 x ${xnew} set atom 63 x 1.1005728276556 1 settings made for x set atom $i y ${ynew} set atom 63 y ${ynew} set atom 63 y 5.64032372181611 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1703 -2.9871562 -2.4978344 -2.4860441 1704 -2.9871562 -2.4978344 -2.4779233 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 63 x ${x0} set atom 63 x 1.04039912541561 1 settings made for x set atom $i y ${y0} set atom 63 y ${y0} set atom 63 y 5.56148483698564 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 73 variable x0 equal ${xi} variable x0 equal 6.44717097996789 variable y0 equal ${yi} variable y0 equal 5.51531081145007 set atom $i x ${xnew} set atom 73 x ${xnew} set atom 73 x 6.43005772351342 1 settings made for x set atom $i y ${ynew} set atom 73 y ${ynew} set atom 73 y 5.48158835118014 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1704 -2.9871562 -2.4978344 -2.4779233 1705 -2.9871562 -2.4978344 -2.4828354 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 73 x ${x0} set atom 73 x 6.44717097996789 1 settings made for x set atom $i y ${y0} set atom 73 y ${y0} set atom 73 y 5.51531081145007 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.131702781107 variable y0 equal ${yi} variable y0 equal 8.31063791431484 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.0923128608723 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.23189141668377 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1705 -2.9871562 -2.4978344 -2.4828354 1706 -2.9871562 -2.4978344 -2.4607988 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 100 x ${x0} set atom 100 x 10.131702781107 1 settings made for x set atom $i y ${y0} set atom 100 y ${y0} set atom 100 y 8.31063791431484 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.01011228838607 variable y0 equal ${yi} variable y0 equal 4.6700352584736 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.09560692587539 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.68280859345361 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1706 -2.9871562 -2.4978344 -2.4607988 1707 -2.9871562 -2.4978344 -2.4964112 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.01011228838607 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.6700352584736 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 79 variable x0 equal ${xi} variable x0 equal 9.66362923859236 variable y0 equal ${yi} variable y0 equal 5.65359488671022 set atom $i x ${xnew} set atom 79 x ${xnew} set atom 79 x 9.73428105591414 1 settings made for x set atom $i y ${ynew} set atom 79 y ${ynew} set atom 79 y 5.70619242136674 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1707 -2.9871562 -2.4978344 -2.4964112 1708 -2.9871562 -2.4978344 -2.4791472 Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 79 x ${x0} set atom 79 x 9.66362923859236 1 settings made for x set atom $i y ${y0} set atom 79 y ${y0} set atom 79 y 5.65359488671022 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 23 variable x0 equal ${xi} variable x0 equal 1.07343188841992 variable y0 equal ${yi} variable y0 equal 1.85961672446793 set atom $i x ${xnew} set atom 23 x ${xnew} set atom 23 x 1.15914738495999 1 settings made for x set atom $i y ${ynew} set atom 23 y ${ynew} set atom 23 y 1.81917400739258 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1708 -2.9871562 -2.4978344 -2.4791472 1709 -2.9871562 -2.4978344 -2.4802019 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 23 x ${x0} set atom 23 x 1.07343188841992 1 settings made for x set atom $i y ${y0} set atom 23 y ${y0} set atom 23 y 1.85961672446793 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 12 variable x0 equal ${xi} variable x0 equal 5.84254707057468 variable y0 equal ${yi} variable y0 equal 0.912364717233509 set atom $i x ${xnew} set atom 12 x ${xnew} set atom 12 x 5.87132241685382 1 settings made for x set atom $i y ${ynew} set atom 12 y ${ynew} set atom 12 y 0.825371380555958 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1709 -2.9871562 -2.4978344 -2.4802019 1710 -2.9871562 -2.4978344 -2.4697481 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 12 x ${x0} set atom 12 x 5.84254707057468 1 settings made for x set atom $i y ${y0} set atom 12 y ${y0} set atom 12 y 0.912364717233509 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.63001570582171 variable y0 equal ${yi} variable y0 equal 2.83223057957987 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.63323100685854 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.85240044566492 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1710 -2.9871562 -2.4978344 -2.4697481 1711 -2.9871562 -2.4978344 -2.4944899 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 24 x ${x0} set atom 24 x 1.63001570582171 1 settings made for x set atom $i y ${y0} set atom 24 y ${y0} set atom 24 y 2.83223057957987 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 6.99553199091598 variable y0 equal ${yi} variable y0 equal 8.37164120592174 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 7.0241800693576 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.39118226684627 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1711 -2.9871562 -2.4978344 -2.4944899 1712 -2.9871562 -2.4978344 -2.4952603 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 6.99553199091598 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.37164120592174 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 81 variable x0 equal ${xi} variable x0 equal 0.0322040319442937 variable y0 equal ${yi} variable y0 equal 7.38692112293505 set atom $i x ${xnew} set atom 81 x ${xnew} set atom 81 x -0.0669728040695003 1 settings made for x set atom $i y ${ynew} set atom 81 y ${ynew} set atom 81 y 7.44679752912783 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1712 -2.9871562 -2.4978344 -2.4952603 1713 -2.9871562 -2.4978344 -2.4749258 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 81 x ${x0} set atom 81 x 0.0322040319442937 1 settings made for x set atom $i y ${y0} set atom 81 y ${y0} set atom 81 y 7.38692112293505 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 17 variable x0 equal ${xi} variable x0 equal 8.44088740506594 variable y0 equal ${yi} variable y0 equal 9.25733234393924 set atom $i x ${xnew} set atom 17 x ${xnew} set atom 17 x 8.37793935695116 1 settings made for x set atom $i y ${ynew} set atom 17 y ${ynew} set atom 17 y 9.30804768312305 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1713 -2.9871562 -2.4978344 -2.4749258 1714 -2.9871562 -2.4978344 -2.4536803 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 17 x ${x0} set atom 17 x 8.44088740506594 1 settings made for x set atom $i y ${y0} set atom 17 y ${y0} set atom 17 y 9.25733234393924 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.08689599949867 variable y0 equal ${yi} variable y0 equal 4.81755102032586 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.15777814108879 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.88041102045937 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1714 -2.9871562 -2.4978344 -2.4536803 1715 -2.9871562 -2.4978344 -2.4575964 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 58 x ${x0} set atom 58 x 9.08689599949867 1 settings made for x set atom $i y ${y0} set atom 58 y ${y0} set atom 58 y 4.81755102032586 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 41 variable x0 equal ${xi} variable x0 equal 0.0739950656890791 variable y0 equal ${yi} variable y0 equal 3.67012049718035 set atom $i x ${xnew} set atom 41 x ${xnew} set atom 41 x 0.0431623816490095 1 settings made for x set atom $i y ${ynew} set atom 41 y ${ynew} set atom 41 y 3.68648581071032 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1715 -2.9871562 -2.4978344 -2.4575964 1716 -2.9871562 -2.4978344 -2.5025606 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.50256055701607 variable naccept equal ${increment} variable naccept equal 376 next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.69106418092681 variable y0 equal ${yi} variable y0 equal 0.920749815214004 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.72476402719451 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 0.906897528875198 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1716 -2.9871562 -2.5025606 -2.5025606 1717 -2.9871562 -2.5025606 -2.4953997 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 6 x ${x0} set atom 6 x 2.69106418092681 1 settings made for x set atom $i y ${y0} set atom 6 y ${y0} set atom 6 y 0.920749815214004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.96878697831622 variable y0 equal ${yi} variable y0 equal 6.53832680717936 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 5.98550258834353 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.47227353588572 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1717 -2.9871562 -2.5025606 -2.4953997 1718 -2.9871562 -2.5025606 -2.5033651 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.50336514283327 variable naccept equal ${increment} variable naccept equal 377 next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.05432130693294 variable y0 equal ${yi} variable y0 equal 8.31604041971262 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.01956139205791 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.33509240068491 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1718 -2.9871562 -2.5033651 -2.5033651 1719 -2.9871562 -2.5033651 -2.5022008 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.05432130693294 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.31604041971262 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 3 variable x0 equal ${xi} variable x0 equal 0.984874358970454 variable y0 equal ${yi} variable y0 equal 9.19249844062656 set atom $i x ${xnew} set atom 3 x ${xnew} set atom 3 x 0.965262642700007 1 settings made for x set atom $i y ${ynew} set atom 3 y ${ynew} set atom 3 y 9.22464752900928 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1719 -2.9871562 -2.5033651 -2.5022008 1720 -2.9871562 -2.5033651 -2.5069915 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.50699147459164 variable naccept equal ${increment} variable naccept equal 378 next iter jump SELF loop variable i equal ${irandom} variable i equal 73 variable x0 equal ${xi} variable x0 equal 6.44717097996789 variable y0 equal ${yi} variable y0 equal 5.51531081145007 set atom $i x ${xnew} set atom 73 x ${xnew} set atom 73 x 6.39928246258813 1 settings made for x set atom $i y ${ynew} set atom 73 y ${ynew} set atom 73 y 5.60194510166842 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1720 -2.9871562 -2.5069915 -2.5069915 1721 -2.9871562 -2.5069915 -2.4868277 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 73 x ${x0} set atom 73 x 6.44717097996789 1 settings made for x set atom $i y ${y0} set atom 73 y ${y0} set atom 73 y 5.51531081145007 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.8951647126609 variable y0 equal ${yi} variable y0 equal 2.85868977280953 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 4.89668607353508 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.86551007005074 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1721 -2.9871562 -2.5069915 -2.4868277 1722 -2.9871562 -2.5069915 -2.5060709 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 30 x ${x0} set atom 30 x 4.8951647126609 1 settings made for x set atom $i y ${y0} set atom 30 y ${y0} set atom 30 y 2.85868977280953 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.26957070906373 variable y0 equal ${yi} variable y0 equal 1.93462480685777 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.17336812098237 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.9709445872075 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1722 -2.9871562 -2.5069915 -2.5060709 1723 -2.9871562 -2.5069915 -2.4713897 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.26957070906373 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.93462480685777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.56329734165441 variable y0 equal ${yi} variable y0 equal 3.72885418696535 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.49549213487875 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.75434667630327 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1723 -2.9871562 -2.5069915 -2.4713897 1724 -2.9871562 -2.5069915 -2.5024893 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 55 x ${x0} set atom 55 x 7.56329734165441 1 settings made for x set atom $i y ${y0} set atom 55 y ${y0} set atom 55 y 3.72885418696535 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.2292649034519 variable y0 equal ${yi} variable y0 equal 0.913150580633014 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.20556546488 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.955296619642108 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1724 -2.9871562 -2.5069915 -2.5024893 1725 -2.9871562 -2.5069915 -2.5070767 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.50707673760221 variable naccept equal ${increment} variable naccept equal 379 next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.18523547410527 variable y0 equal ${yi} variable y0 equal 1.96640520474976 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.21123574733296 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 2.02760801694458 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1725 -2.9871562 -2.5070767 -2.5070767 1726 -2.9871562 -2.5070767 -2.4999908 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 27 x ${x0} set atom 27 x 3.18523547410527 1 settings made for x set atom $i y ${y0} set atom 27 y ${y0} set atom 27 y 1.96640520474976 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.89080204048797 variable y0 equal ${yi} variable y0 equal 0.962413962591011 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.94979257860824 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 0.918976565111 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1726 -2.9871562 -2.5070767 -2.4999908 1727 -2.9871562 -2.5070767 -2.4975829 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.89080204048797 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 0.962413962591011 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 8 variable x0 equal ${xi} variable x0 equal 3.72333437720424 variable y0 equal ${yi} variable y0 equal 1.06102300475869 set atom $i x ${xnew} set atom 8 x ${xnew} set atom 8 x 3.6418524078477 1 settings made for x set atom $i y ${ynew} set atom 8 y ${ynew} set atom 8 y 1.14254684041772 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1727 -2.9871562 -2.5070767 -2.4975829 1728 -2.9871562 -2.5070767 -2.4560799 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 8 x ${x0} set atom 8 x 3.72333437720424 1 settings made for x set atom $i y ${y0} set atom 8 y ${y0} set atom 8 y 1.06102300475869 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.31808795690099 variable y0 equal ${yi} variable y0 equal 5.6091846699019 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.22073697804967 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.624910497119 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1728 -2.9871562 -2.5070767 -2.4560799 1729 -2.9871562 -2.5070767 -2.4900357 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 67 x ${x0} set atom 67 x 3.31808795690099 1 settings made for x set atom $i y ${y0} set atom 67 y ${y0} set atom 67 y 5.6091846699019 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.545649071136379 variable y0 equal ${yi} variable y0 equal 2.77431966039041 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.586355228820705 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.76345570060113 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1729 -2.9871562 -2.5070767 -2.4900357 1730 -2.9871562 -2.5070767 -2.504178 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.545649071136379 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.77431966039041 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.16921079794274 variable y0 equal ${yi} variable y0 equal 1.86157575032777 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.25063434282647 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.79518518827027 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1730 -2.9871562 -2.5070767 -2.504178 1731 -2.9871562 -2.5070767 -2.4664951 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.16921079794274 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.86157575032777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 50 variable x0 equal ${xi} variable x0 equal 4.95269535421668 variable y0 equal ${yi} variable y0 equal 4.50253551358148 set atom $i x ${xnew} set atom 50 x ${xnew} set atom 50 x 4.87296666740714 1 settings made for x set atom $i y ${ynew} set atom 50 y ${ynew} set atom 50 y 4.47512785548135 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1731 -2.9871562 -2.5070767 -2.4664951 1732 -2.9871562 -2.5070767 -2.4621364 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 50 x ${x0} set atom 50 x 4.95269535421668 1 settings made for x set atom $i y ${y0} set atom 50 y ${y0} set atom 50 y 4.50253551358148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.20556546488 variable y0 equal ${yi} variable y0 equal 0.955296619642108 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.2914436940212 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.94780113290581 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1732 -2.9871562 -2.5070767 -2.4621364 1733 -2.9871562 -2.5070767 -2.4925868 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 20 x ${x0} set atom 20 x 10.20556546488 1 settings made for x set atom $i y ${y0} set atom 20 y ${y0} set atom 20 y 0.955296619642108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.29556680996629 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.61288714354236 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1733 -2.9871562 -2.5070767 -2.4925868 1734 -2.9871562 -2.5070767 -2.4840706 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.50331240732442 variable y0 equal ${yi} variable y0 equal 7.44483136263156 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.59896482069265 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.40544650879169 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1734 -2.9871562 -2.5070767 -2.4840706 1735 -2.9871562 -2.5070767 -2.4956993 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 95 x ${x0} set atom 95 x 7.50331240732442 1 settings made for x set atom $i y ${y0} set atom 95 y ${y0} set atom 95 y 7.44483136263156 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 36 variable x0 equal ${xi} variable x0 equal 8.01815503238536 variable y0 equal ${yi} variable y0 equal 2.72729808064798 set atom $i x ${xnew} set atom 36 x ${xnew} set atom 36 x 8.11439363359309 1 settings made for x set atom $i y ${ynew} set atom 36 y ${ynew} set atom 36 y 2.76781226369241 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1735 -2.9871562 -2.5070767 -2.4956993 1736 -2.9871562 -2.5070767 -2.4867735 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 36 x ${x0} set atom 36 x 8.01815503238536 1 settings made for x set atom $i y ${y0} set atom 36 y ${y0} set atom 36 y 2.72729808064798 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.65343800981474 variable y0 equal ${yi} variable y0 equal 2.85940663787225 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.7366381545825 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 2.9062090751777 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1736 -2.9871562 -2.5070767 -2.4867735 1737 -2.9871562 -2.5070767 -2.4949589 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 26 x ${x0} set atom 26 x 2.65343800981474 1 settings made for x set atom $i y ${y0} set atom 26 y ${y0} set atom 26 y 2.85940663787225 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 50 variable x0 equal ${xi} variable x0 equal 4.95269535421668 variable y0 equal ${yi} variable y0 equal 4.50253551358148 set atom $i x ${xnew} set atom 50 x ${xnew} set atom 50 x 4.86517718672095 1 settings made for x set atom $i y ${ynew} set atom 50 y ${ynew} set atom 50 y 4.4484424387829 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1737 -2.9871562 -2.5070767 -2.4949589 1738 -2.9871562 -2.5070767 -2.4022901 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 50 x ${x0} set atom 50 x 4.95269535421668 1 settings made for x set atom $i y ${y0} set atom 50 y ${y0} set atom 50 y 4.50253551358148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.16921079794274 variable y0 equal ${yi} variable y0 equal 1.86157575032777 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.11262856165276 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.76798061511583 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1738 -2.9871562 -2.5070767 -2.4022901 1739 -2.9871562 -2.5070767 -2.4868289 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.16921079794274 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.86157575032777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.4949854779112 variable y0 equal ${yi} variable y0 equal 0.0935324668884274 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.43579446552869 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.0599062919616696 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1739 -2.9871562 -2.5070767 -2.4868289 1740 -2.9871562 -2.5070767 -2.495524 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.4949854779112 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.0935324668884274 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 37 variable x0 equal ${xi} variable x0 equal 8.45325187602465 variable y0 equal ${yi} variable y0 equal 1.81180926940507 set atom $i x ${xnew} set atom 37 x ${xnew} set atom 37 x 8.38434524693911 1 settings made for x set atom $i y ${ynew} set atom 37 y ${ynew} set atom 37 y 1.87584792754716 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1740 -2.9871562 -2.5070767 -2.495524 1741 -2.9871562 -2.5070767 -2.4758131 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 37 x ${x0} set atom 37 x 8.45325187602465 1 settings made for x set atom $i y ${y0} set atom 37 y ${y0} set atom 37 y 1.81180926940507 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 73 variable x0 equal ${xi} variable x0 equal 6.44717097996789 variable y0 equal ${yi} variable y0 equal 5.51531081145007 set atom $i x ${xnew} set atom 73 x ${xnew} set atom 73 x 6.49922751902657 1 settings made for x set atom $i y ${ynew} set atom 73 y ${ynew} set atom 73 y 5.52039463465411 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1741 -2.9871562 -2.5070767 -2.4758131 1742 -2.9871562 -2.5070767 -2.50704 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.50703999488522 variable naccept equal ${increment} variable naccept equal 380 next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.26957070906373 variable y0 equal ${yi} variable y0 equal 1.93462480685777 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.21577291567536 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.88364169976777 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1742 -2.9871562 -2.50704 -2.50704 1743 -2.9871562 -2.50704 -2.4864035 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.26957070906373 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.93462480685777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.146871400263 variable y0 equal ${yi} variable y0 equal 4.57325408810541 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.179004168894 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.54793795699045 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1743 -2.9871562 -2.50704 -2.4864035 1744 -2.9871562 -2.50704 -2.5043968 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 60 x ${x0} set atom 60 x 10.146871400263 1 settings made for x set atom $i y ${y0} set atom 60 y ${y0} set atom 60 y 4.57325408810541 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.55546174207155 variable y0 equal ${yi} variable y0 equal 5.67337435429292 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.58555344500963 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.67622888033586 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1744 -2.9871562 -2.50704 -2.5043968 1745 -2.9871562 -2.50704 -2.5077444 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.50774435236207 variable naccept equal ${increment} variable naccept equal 381 next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.46272479374619 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.52176010554034 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1745 -2.9871562 -2.5077444 -2.5077444 1746 -2.9871562 -2.5077444 -2.4842149 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.18523547410527 variable y0 equal ${yi} variable y0 equal 1.96640520474976 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.13245429753819 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 1.95444226644104 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1746 -2.9871562 -2.5077444 -2.4842149 1747 -2.9871562 -2.5077444 -2.4931409 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 27 x ${x0} set atom 27 x 3.18523547410527 1 settings made for x set atom $i y ${y0} set atom 27 y ${y0} set atom 27 y 1.96640520474976 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.359936702635 variable y0 equal ${yi} variable y0 equal 6.46727336184016 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.29028950968 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.46599212423793 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1747 -2.9871562 -2.5077444 -2.4931409 1748 -2.9871562 -2.5077444 -2.5131324 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.51313236168515 variable naccept equal ${increment} variable naccept equal 382 next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.9666222687482 variable y0 equal ${yi} variable y0 equal 4.61283609026834 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 5.95934512574664 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.55919981354639 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1748 -2.9871562 -2.5131324 -2.5131324 1749 -2.9871562 -2.5131324 -2.4823152 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 5.9666222687482 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.61283609026834 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.07584694067344 variable y0 equal ${yi} variable y0 equal 0.00976005792616981 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 1.9799972716938 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y 0.0391841888427653 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1749 -2.9871562 -2.5131324 -2.4823152 1750 -2.9871562 -2.5131324 -2.4891337 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 2.07584694067344 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 0.00976005792616981 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.87741336464225 variable y0 equal ${yi} variable y0 equal 6.4556893421792 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.89040735601722 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.45623155371179 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1750 -2.9871562 -2.5131324 -2.4891337 1751 -2.9871562 -2.5131324 -2.5131777 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.51317767501475 variable naccept equal ${increment} variable naccept equal 383 next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.07584694067344 variable y0 equal ${yi} variable y0 equal 0.00976005792616981 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 2.01925012508735 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y -0.0608327627182089 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1751 -2.9871562 -2.5131777 -2.5131777 1752 -2.9871562 -2.5131777 -2.4877403 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 2.07584694067344 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 0.00976005792616981 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 50 variable x0 equal ${xi} variable x0 equal 4.95269535421668 variable y0 equal ${yi} variable y0 equal 4.50253551358148 set atom $i x ${xnew} set atom 50 x ${xnew} set atom 50 x 5.03468200802146 1 settings made for x set atom $i y ${ynew} set atom 50 y ${ynew} set atom 50 y 4.49622348898813 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1752 -2.9871562 -2.5131777 -2.4877403 1753 -2.9871562 -2.5131777 -2.4439886 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 50 x ${x0} set atom 50 x 4.95269535421668 1 settings made for x set atom $i y ${y0} set atom 50 y ${y0} set atom 50 y 4.50253551358148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.12744101880885 variable y0 equal ${yi} variable y0 equal 6.56631985441675 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 8.16058630346156 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.6310257031106 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1753 -2.9871562 -2.5131777 -2.4439886 1754 -2.9871562 -2.5131777 -2.4672605 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 76 x ${x0} set atom 76 x 8.12744101880885 1 settings made for x set atom $i y ${y0} set atom 76 y ${y0} set atom 76 y 6.56631985441675 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.87285548408023 variable y0 equal ${yi} variable y0 equal 8.36937119878825 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.84470409114352 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.3224795452505 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1754 -2.9871562 -2.5131777 -2.4672605 1755 -2.9871562 -2.5131777 -2.5059608 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.87285548408023 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.36937119878825 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.50235789218808 variable y0 equal ${yi} variable y0 equal 3.73372400565278 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.48630534807111 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.6640052752031 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1755 -2.9871562 -2.5131777 -2.5059608 1756 -2.9871562 -2.5131777 -2.4966953 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 51 x ${x0} set atom 51 x 5.50235789218808 1 settings made for x set atom $i y ${y0} set atom 51 y ${y0} set atom 51 y 3.73372400565278 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.31808795690099 variable y0 equal ${yi} variable y0 equal 5.6091846699019 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.29518801927129 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.52495191042619 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1756 -2.9871562 -2.5131777 -2.4966953 1757 -2.9871562 -2.5131777 -2.5082252 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 67 x ${x0} set atom 67 x 3.31808795690099 1 settings made for x set atom $i y ${y0} set atom 67 y ${y0} set atom 67 y 5.6091846699019 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.24185213247205 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y 0.0017435908317541 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1757 -2.9871562 -2.5131777 -2.5082252 1758 -2.9871562 -2.5131777 -2.4994849 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.6111590226346 variable y0 equal ${yi} variable y0 equal 9.22944378364413 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.6423678119832 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 9.1521979640755 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1758 -2.9871562 -2.5131777 -2.4994849 1759 -2.9871562 -2.5131777 -2.4885771 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 1 x ${x0} set atom 1 x 10.6111590226346 1 settings made for x set atom $i y ${y0} set atom 1 y ${y0} set atom 1 y 9.22944378364413 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.16921079794274 variable y0 equal ${yi} variable y0 equal 1.86157575032777 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.10620518366204 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.92054145715303 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1759 -2.9871562 -2.5131777 -2.4885771 1760 -2.9871562 -2.5131777 -2.51041 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.16921079794274 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.86157575032777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.56329734165441 variable y0 equal ${yi} variable y0 equal 3.72885418696535 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.57615352709066 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.69412200017107 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1760 -2.9871562 -2.5131777 -2.51041 1761 -2.9871562 -2.5131777 -2.5067127 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 55 x ${x0} set atom 55 x 7.56329734165441 1 settings made for x set atom $i y ${y0} set atom 55 y ${y0} set atom 55 y 3.72885418696535 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 63 variable x0 equal ${xi} variable x0 equal 1.04039912541561 variable y0 equal ${yi} variable y0 equal 5.56148483698564 set atom $i x ${xnew} set atom 63 x ${xnew} set atom 63 x 0.953809681731986 1 settings made for x set atom $i y ${ynew} set atom 63 y ${ynew} set atom 63 y 5.54686884825426 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1761 -2.9871562 -2.5131777 -2.5067127 1762 -2.9871562 -2.5131777 -2.5005611 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 63 x ${x0} set atom 63 x 1.04039912541561 1 settings made for x set atom $i y ${y0} set atom 63 y ${y0} set atom 63 y 5.56148483698564 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.23979663292276 variable y0 equal ${yi} variable y0 equal 5.5713402385016 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.31485514084207 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.48211188261705 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1762 -2.9871562 -2.5131777 -2.5005611 1763 -2.9871562 -2.5131777 -2.4480728 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.23979663292276 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.5713402385016 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.05432130693294 variable y0 equal ${yi} variable y0 equal 8.31604041971262 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.00634393094875 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.340197693482 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1763 -2.9871562 -2.5131777 -2.4480728 1764 -2.9871562 -2.5131777 -2.5101476 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.05432130693294 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.31604041971262 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 35 variable x0 equal ${xi} variable x0 equal 7.37088978130592 variable y0 equal ${yi} variable y0 equal 1.86757599494523 set atom $i x ${xnew} set atom 35 x ${xnew} set atom 35 x 7.45367610294594 1 settings made for x set atom $i y ${ynew} set atom 35 y ${ynew} set atom 35 y 1.92353616139955 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1764 -2.9871562 -2.5131777 -2.5101476 1765 -2.9871562 -2.5131777 -2.4996012 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 35 x ${x0} set atom 35 x 7.37088978130592 1 settings made for x set atom $i y ${y0} set atom 35 y ${y0} set atom 35 y 1.86757599494523 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.07584694067344 variable y0 equal ${yi} variable y0 equal 0.00976005792616981 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 2.02568246761665 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y -0.0245615839958273 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1765 -2.9871562 -2.5131777 -2.4996012 1766 -2.9871562 -2.5131777 -2.5020362 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 2.07584694067344 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 0.00976005792616981 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 17 variable x0 equal ${xi} variable x0 equal 8.44088740506594 variable y0 equal ${yi} variable y0 equal 9.25733234393924 set atom $i x ${xnew} set atom 17 x ${xnew} set atom 17 x 8.49737423816149 1 settings made for x set atom $i y ${ynew} set atom 17 y ${ynew} set atom 17 y 9.2278668593201 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1766 -2.9871562 -2.5131777 -2.5020362 1767 -2.9871562 -2.5131777 -2.5163058 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.51630583929691 variable naccept equal ${increment} variable naccept equal 384 next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.15771750847207 variable y0 equal ${yi} variable y0 equal 7.45649659958148 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.12267636696206 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.52439054575229 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1767 -2.9871562 -2.5163058 -2.5163058 1768 -2.9871562 -2.5163058 -2.4943738 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.15771750847207 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.45649659958148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.40156468867379 variable y0 equal ${yi} variable y0 equal 0.00304889678955437 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.32352469681817 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y 0.060698032379154 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1768 -2.9871562 -2.5163058 -2.4943738 1769 -2.9871562 -2.5163058 -2.4944021 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.40156468867379 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 0.00304889678955437 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.87285548408023 variable y0 equal ${yi} variable y0 equal 8.36937119878825 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.94485397298328 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.37426927007731 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1769 -2.9871562 -2.5163058 -2.4944021 1770 -2.9871562 -2.5163058 -2.5119426 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.87285548408023 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.36937119878825 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.80623258868343 variable y0 equal ${yi} variable y0 equal 6.50073292986383 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.76017001191265 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.43133811489572 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1770 -2.9871562 -2.5163058 -2.5119426 1771 -2.9871562 -2.5163058 -2.4825077 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 68 x ${x0} set atom 68 x 3.80623258868343 1 settings made for x set atom $i y ${y0} set atom 68 y ${y0} set atom 68 y 6.50073292986383 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.19388546387063 variable y0 equal ${yi} variable y0 equal 3.77270575328004 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.25757455269204 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.80100779099595 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1771 -2.9871562 -2.5163058 -2.4825077 1772 -2.9871562 -2.5163058 -2.5014542 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.19388546387063 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.77270575328004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.63001570582171 variable y0 equal ${yi} variable y0 equal 2.83223057957987 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.64265966295977 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.75750827761988 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1772 -2.9871562 -2.5163058 -2.5014542 1773 -2.9871562 -2.5163058 -2.5144034 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 24 x ${x0} set atom 24 x 1.63001570582171 1 settings made for x set atom $i y ${y0} set atom 24 y ${y0} set atom 24 y 2.83223057957987 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.08689599949867 variable y0 equal ${yi} variable y0 equal 4.81755102032586 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.16288858372719 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.74496568793221 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1773 -2.9871562 -2.5163058 -2.5144034 1774 -2.9871562 -2.5163058 -2.5320121 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.53201208215228 variable naccept equal ${increment} variable naccept equal 385 next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.69106418092681 variable y0 equal ${yi} variable y0 equal 0.920749815214004 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.67234798868133 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 0.861188097703781 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1774 -2.9871562 -2.5320121 -2.5320121 1775 -2.9871562 -2.5320121 -2.5237006 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 6 x ${x0} set atom 6 x 2.69106418092681 1 settings made for x set atom $i y ${y0} set atom 6 y ${y0} set atom 6 y 0.920749815214004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.131702781107 variable y0 equal ${yi} variable y0 equal 8.31063791431484 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.1819606308003 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.34119096912441 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1775 -2.9871562 -2.5320121 -2.5237006 1776 -2.9871562 -2.5320121 -2.5240688 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 100 x ${x0} set atom 100 x 10.131702781107 1 settings made for x set atom $i y ${y0} set atom 100 y ${y0} set atom 100 y 8.31063791431484 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.26957070906373 variable y0 equal ${yi} variable y0 equal 1.93462480685777 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.19809427340241 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.85901639840669 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1776 -2.9871562 -2.5320121 -2.5240688 1777 -2.9871562 -2.5320121 -2.4892408 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.26957070906373 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.93462480685777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 86 variable x0 equal ${xi} variable x0 equal 2.71264111001922 variable y0 equal ${yi} variable y0 equal 8.37165092147884 set atom $i x ${xnew} set atom 86 x ${xnew} set atom 86 x 2.75564029415084 1 settings made for x set atom $i y ${ynew} set atom 86 y ${ynew} set atom 86 y 8.43244019664821 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1777 -2.9871562 -2.5320121 -2.4892408 1778 -2.9871562 -2.5320121 -2.524711 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 86 x ${x0} set atom 86 x 2.71264111001922 1 settings made for x set atom $i y ${y0} set atom 86 y ${y0} set atom 86 y 8.37165092147884 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.89040735601722 variable y0 equal ${yi} variable y0 equal 6.45623155371179 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.87680812715827 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.54021814600458 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1778 -2.9871562 -2.5320121 -2.524711 1779 -2.9871562 -2.5320121 -2.5187854 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.89040735601722 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.45623155371179 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.54554458140013 variable y0 equal ${yi} variable y0 equal 3.70140816731585 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.53200154780028 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.64820042414797 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1779 -2.9871562 -2.5320121 -2.5187854 1780 -2.9871562 -2.5320121 -2.5194447 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 59 x ${x0} set atom 59 x 9.54554458140013 1 settings made for x set atom $i y ${y0} set atom 59 y ${y0} set atom 59 y 3.70140816731585 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 99 variable x0 equal ${xi} variable x0 equal 9.7112571763861 variable y0 equal ${yi} variable y0 equal 7.38156818475986 set atom $i x ${xnew} set atom 99 x ${xnew} set atom 99 x 9.6195641326773 1 settings made for x set atom $i y ${ynew} set atom 99 y ${ynew} set atom 99 y 7.41088972416187 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1780 -2.9871562 -2.5320121 -2.5194447 1781 -2.9871562 -2.5320121 -2.5154263 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 99 x ${x0} set atom 99 x 9.7112571763861 1 settings made for x set atom $i y ${y0} set atom 99 y ${y0} set atom 99 y 7.38156818475986 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.8951647126609 variable y0 equal ${yi} variable y0 equal 2.85868977280953 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 4.90123786567985 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.84607984992364 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1781 -2.9871562 -2.5320121 -2.5154263 1782 -2.9871562 -2.5320121 -2.5313315 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 30 x ${x0} set atom 30 x 4.8951647126609 1 settings made for x set atom $i y ${y0} set atom 30 y ${y0} set atom 30 y 2.85868977280953 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.78193971434718 variable y0 equal ${yi} variable y0 equal 8.31736352361736 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.83009337702876 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.31730835355816 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1782 -2.9871562 -2.5320121 -2.5313315 1783 -2.9871562 -2.5320121 -2.5235009 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.78193971434718 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.31736352361736 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 98 variable x0 equal ${xi} variable x0 equal 9.09545654971154 variable y0 equal ${yi} variable y0 equal 8.37382508434351 set atom $i x ${xnew} set atom 98 x ${xnew} set atom 98 x 9.04626440722497 1 settings made for x set atom $i y ${ynew} set atom 98 y ${ynew} set atom 98 y 8.31296929039057 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1783 -2.9871562 -2.5320121 -2.5235009 1784 -2.9871562 -2.5320121 -2.5169016 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 98 x ${x0} set atom 98 x 9.09545654971154 1 settings made for x set atom $i y ${y0} set atom 98 y ${y0} set atom 98 y 8.37382508434351 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.9666222687482 variable y0 equal ${yi} variable y0 equal 4.61283609026834 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 5.96121762950412 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.71035056466028 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1784 -2.9871562 -2.5320121 -2.5169016 1785 -2.9871562 -2.5320121 -2.5247046 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 5.9666222687482 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.61283609026834 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.63001570582171 variable y0 equal ${yi} variable y0 equal 2.83223057957987 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.58208489298602 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.82815018864969 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1785 -2.9871562 -2.5320121 -2.5247046 1786 -2.9871562 -2.5320121 -2.5307212 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 24 x ${x0} set atom 24 x 1.63001570582171 1 settings made for x set atom $i y ${y0} set atom 24 y ${y0} set atom 24 y 2.83223057957987 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.63001570582171 variable y0 equal ${yi} variable y0 equal 2.83223057957987 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.59829139590045 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.77385951253275 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1786 -2.9871562 -2.5320121 -2.5307212 1787 -2.9871562 -2.5320121 -2.5340111 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.53401108393171 variable naccept equal ${increment} variable naccept equal 386 next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.65343800981474 variable y0 equal ${yi} variable y0 equal 2.85940663787225 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.61068279941511 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 2.94007375213006 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1787 -2.9871562 -2.5340111 -2.5340111 1788 -2.9871562 -2.5340111 -2.4914221 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 26 x ${x0} set atom 26 x 2.65343800981474 1 settings made for x set atom $i y ${y0} set atom 26 y ${y0} set atom 26 y 2.85940663787225 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.22492432355444 variable y0 equal ${yi} variable y0 equal 0.0240613460540867 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.24992654084723 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y 0.103712129592905 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1788 -2.9871562 -2.5340111 -2.4914221 1789 -2.9871562 -2.5340111 -2.5171975 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 7 x ${x0} set atom 7 x 3.22492432355444 1 settings made for x set atom $i y ${y0} set atom 7 y ${y0} set atom 7 y 0.0240613460540867 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.78193971434718 variable y0 equal ${yi} variable y0 equal 8.31736352361736 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.85504639664775 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.33264021791515 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1789 -2.9871562 -2.5340111 -2.5171975 1790 -2.9871562 -2.5340111 -2.5161286 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.78193971434718 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.31736352361736 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 10.6911063273601 variable y0 equal ${yi} variable y0 equal 5.45732250158982 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 10.6063891251735 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.43152117674546 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1790 -2.9871562 -2.5340111 -2.5161286 1791 -2.9871562 -2.5340111 -2.5028867 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 61 x ${x0} set atom 61 x 10.6911063273601 1 settings made for x set atom $i y ${y0} set atom 61 y ${y0} set atom 61 y 5.45732250158982 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 50 variable x0 equal ${xi} variable x0 equal 4.95269535421668 variable y0 equal ${yi} variable y0 equal 4.50253551358148 set atom $i x ${xnew} set atom 50 x ${xnew} set atom 50 x 4.85977686285316 1 settings made for x set atom $i y ${ynew} set atom 50 y ${ynew} set atom 50 y 4.4265338456051 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1791 -2.9871562 -2.5340111 -2.5028867 1792 -2.9871562 -2.5340111 -2.3593919 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 50 x ${x0} set atom 50 x 4.95269535421668 1 settings made for x set atom $i y ${y0} set atom 50 y ${y0} set atom 50 y 4.50253551358148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.15111655909569 variable y0 equal ${yi} variable y0 equal 6.52915453449718 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 9.11199482399971 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.51146558062068 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1792 -2.9871562 -2.5340111 -2.3593919 1793 -2.9871562 -2.5340111 -2.5214786 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2436.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 78 x ${x0} set atom 78 x 9.15111655909569 1 settings made for x set atom $i y ${y0} set atom 78 y ${y0} set atom 78 y 6.52915453449718 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.146871400263 variable y0 equal ${yi} variable y0 equal 4.57325408810541 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.1301814798376 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.49219125861093 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1793 -2.9871562 -2.5340111 -2.5214786 1794 -2.9871562 -2.5340111 -2.5207245 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 60 x ${x0} set atom 60 x 10.146871400263 1 settings made for x set atom $i y ${y0} set atom 60 y ${y0} set atom 60 y 4.57325408810541 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.42002700646134 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.50465547983844 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1794 -2.9871562 -2.5340111 -2.5207245 1795 -2.9871562 -2.5340111 -2.5289775 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.4949854779112 variable y0 equal ${yi} variable y0 equal 0.0935324668884274 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.49153032778379 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.0782125592231747 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1795 -2.9871562 -2.5340111 -2.5289775 1796 -2.9871562 -2.5340111 -2.5354724 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.53547244005368 variable naccept equal ${increment} variable naccept equal 387 next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.6009168970563 variable y0 equal ${yi} variable y0 equal 0.937610264528124 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.53957323908587 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 1.03376293967995 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1796 -2.9871562 -2.5354724 -2.5354724 1797 -2.9871562 -2.5354724 -2.4931108 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.6009168970563 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.937610264528124 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.31808795690099 variable y0 equal ${yi} variable y0 equal 5.6091846699019 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.32838350295583 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.60614974444109 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1797 -2.9871562 -2.5354724 -2.4931108 1798 -2.9871562 -2.5354724 -2.5346971 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 67 x ${x0} set atom 67 x 3.31808795690099 1 settings made for x set atom $i y ${y0} set atom 67 y ${y0} set atom 67 y 5.6091846699019 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.46753388483297 variable y0 equal ${yi} variable y0 equal 0.0335806965827942 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.5212953909136 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y 0.0502413988113403 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1798 -2.9871562 -2.5354724 -2.5346971 1799 -2.9871562 -2.5354724 -2.5206127 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.46753388483297 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.0335806965827942 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.6111590226346 variable y0 equal ${yi} variable y0 equal 9.22944378364413 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.5878455599004 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 9.28117802846759 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1799 -2.9871562 -2.5354724 -2.5206127 1800 -2.9871562 -2.5354724 -2.5375404 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.5375403551196 variable naccept equal ${increment} variable naccept equal 388 next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.33098243871595 variable y0 equal ${yi} variable y0 equal 1.91473032615251 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.31596373716261 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.83819601914949 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1800 -2.9871562 -2.5375404 -2.5375404 1801 -2.9871562 -2.5375404 -2.5390685 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.53906853725655 variable naccept equal ${increment} variable naccept equal 389 next iter jump SELF loop variable i equal ${irandom} variable i equal 10 variable x0 equal ${xi} variable x0 equal 4.77766234516441 variable y0 equal ${yi} variable y0 equal 0.927607925641864 set atom $i x ${xnew} set atom 10 x ${xnew} set atom 10 x 4.70629324554741 1 settings made for x set atom $i y ${ynew} set atom 10 y ${ynew} set atom 10 y 0.897528763521045 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1801 -2.9871562 -2.5390685 -2.5390685 1802 -2.9871562 -2.5390685 -2.5227815 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 10 x ${x0} set atom 10 x 4.77766234516441 1 settings made for x set atom $i y ${y0} set atom 10 y ${y0} set atom 10 y 0.927607925641864 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.146871400263 variable y0 equal ${yi} variable y0 equal 4.57325408810541 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.1318718437216 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.48601099604532 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1802 -2.9871562 -2.5390685 -2.5227815 1803 -2.9871562 -2.5390685 -2.5244269 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 60 x ${x0} set atom 60 x 10.146871400263 1 settings made for x set atom $i y ${y0} set atom 60 y ${y0} set atom 60 y 4.57325408810541 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.31808795690099 variable y0 equal ${yi} variable y0 equal 5.6091846699019 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.36902109145681 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.5719395155211 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1803 -2.9871562 -2.5390685 -2.5244269 1804 -2.9871562 -2.5390685 -2.5306213 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 67 x ${x0} set atom 67 x 3.31808795690099 1 settings made for x set atom $i y ${y0} set atom 67 y ${y0} set atom 67 y 5.6091846699019 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.54407576480333 variable y0 equal ${yi} variable y0 equal 3.66106940074097 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.59269353309099 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.58151417536866 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1804 -2.9871562 -2.5390685 -2.5306213 1805 -2.9871562 -2.5390685 -2.5119458 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.54407576480333 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.66106940074097 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.65343800981474 variable y0 equal ${yi} variable y0 equal 2.85940663787225 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.64682299097014 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 2.94914935799936 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1805 -2.9871562 -2.5390685 -2.5119458 1806 -2.9871562 -2.5390685 -2.500222 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 26 x ${x0} set atom 26 x 2.65343800981474 1 settings made for x set atom $i y ${y0} set atom 26 y ${y0} set atom 26 y 2.85940663787225 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.05432130693294 variable y0 equal ${yi} variable y0 equal 8.31604041971262 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 7.9730439126382 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.29894748844202 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1806 -2.9871562 -2.5390685 -2.500222 1807 -2.9871562 -2.5390685 -2.5216719 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.05432130693294 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.31604041971262 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.9666222687482 variable y0 equal ${yi} variable y0 equal 4.61283609026834 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 5.94641846377841 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.67712874764368 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1807 -2.9871562 -2.5390685 -2.5216719 1808 -2.9871562 -2.5390685 -2.541029 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.5410289675105 variable naccept equal ${increment} variable naccept equal 390 next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.94641846377841 variable y0 equal ${yi} variable y0 equal 4.67712874764368 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 5.87159434516421 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.60688097828791 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1808 -2.9871562 -2.541029 -2.541029 1809 -2.9871562 -2.541029 -2.4854308 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 5.94641846377841 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.67712874764368 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 63 variable x0 equal ${xi} variable x0 equal 1.04039912541561 variable y0 equal ${yi} variable y0 equal 5.56148483698564 set atom $i x ${xnew} set atom 63 x ${xnew} set atom 63 x 1.10637924988918 1 settings made for x set atom $i y ${ynew} set atom 63 y ${ynew} set atom 63 y 5.49794350807863 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1809 -2.9871562 -2.541029 -2.4854308 1810 -2.9871562 -2.541029 -2.5234507 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 63 x ${x0} set atom 63 x 1.04039912541561 1 settings made for x set atom $i y ${y0} set atom 63 y ${y0} set atom 63 y 5.56148483698564 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.90086858232013 variable y0 equal ${yi} variable y0 equal 2.85332814427712 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.98288409669391 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.79886004897454 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1810 -2.9871562 -2.541029 -2.5234507 1811 -2.9871562 -2.541029 -2.5340777 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 32 x ${x0} set atom 32 x 5.90086858232013 1 settings made for x set atom $i y ${y0} set atom 32 y ${y0} set atom 32 y 2.85332814427712 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.87285548408023 variable y0 equal ${yi} variable y0 equal 8.36937119878825 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.82827498872272 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.46438046611842 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1811 -2.9871562 -2.541029 -2.5340777 1812 -2.9871562 -2.541029 -2.5188594 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.87285548408023 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.36937119878825 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.545649071136379 variable y0 equal ${yi} variable y0 equal 2.77431966039041 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.523390586772823 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.86584377261499 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1812 -2.9871562 -2.541029 -2.5188594 1813 -2.9871562 -2.541029 -2.5182184 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.545649071136379 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.77431966039041 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 63 variable x0 equal ${xi} variable x0 equal 1.04039912541561 variable y0 equal ${yi} variable y0 equal 5.56148483698564 set atom $i x ${xnew} set atom 63 x ${xnew} set atom 63 x 1.12589649279766 1 settings made for x set atom $i y ${ynew} set atom 63 y ${ynew} set atom 63 y 5.54788522665697 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1813 -2.9871562 -2.541029 -2.5182184 1814 -2.9871562 -2.541029 -2.5360361 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 63 x ${x0} set atom 63 x 1.04039912541561 1 settings made for x set atom $i y ${y0} set atom 63 y ${y0} set atom 63 y 5.56148483698564 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 82 variable x0 equal ${xi} variable x0 equal 0.44764589826193 variable y0 equal ${yi} variable y0 equal 8.32563534893091 set atom $i x ${xnew} set atom 82 x ${xnew} set atom 82 x 0.536132176319028 1 settings made for x set atom $i y ${ynew} set atom 82 y ${ynew} set atom 82 y 8.38413363613184 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1814 -2.9871562 -2.541029 -2.5360361 1815 -2.9871562 -2.541029 -2.5182613 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 82 x ${x0} set atom 82 x 0.44764589826193 1 settings made for x set atom $i y ${y0} set atom 82 y ${y0} set atom 82 y 8.32563534893091 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 10 variable x0 equal ${xi} variable x0 equal 4.77766234516441 variable y0 equal ${yi} variable y0 equal 0.927607925641864 set atom $i x ${xnew} set atom 10 x ${xnew} set atom 10 x 4.75146712898552 1 settings made for x set atom $i y ${ynew} set atom 10 y ${ynew} set atom 10 y 0.881888659704059 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1815 -2.9871562 -2.541029 -2.5182613 1816 -2.9871562 -2.541029 -2.5317059 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 10 x ${x0} set atom 10 x 4.77766234516441 1 settings made for x set atom $i y ${y0} set atom 10 y ${y0} set atom 10 y 0.927607925641864 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.07584694067344 variable y0 equal ${yi} variable y0 equal 0.00976005792616981 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 1.98588935772285 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y -0.0010746359825216 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1816 -2.9871562 -2.541029 -2.5317059 1817 -2.9871562 -2.541029 -2.5218384 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 2.07584694067344 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 0.00976005792616981 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.32252682526322 variable y0 equal ${yi} variable y0 equal 7.38917808857226 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.23539362032624 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.45632248249316 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1817 -2.9871562 -2.541029 -2.5218384 1818 -2.9871562 -2.541029 -2.5244965 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.32252682526322 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.38917808857226 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.1789412740728 variable y0 equal ${yi} variable y0 equal 2.78276804658273 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.08199476042 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.82129533263543 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1818 -2.9871562 -2.541029 -2.5244965 1819 -2.9871562 -2.541029 -2.5226732 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.1789412740728 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.78276804658273 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 73 variable x0 equal ${xi} variable x0 equal 6.49922751902657 variable y0 equal ${yi} variable y0 equal 5.52039463465411 set atom $i x ${xnew} set atom 73 x ${xnew} set atom 73 x 6.4633318614872 1 settings made for x set atom $i y ${ynew} set atom 73 y ${ynew} set atom 73 y 5.51845455115039 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1819 -2.9871562 -2.541029 -2.5226732 1820 -2.9871562 -2.541029 -2.5395864 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 73 x ${x0} set atom 73 x 6.49922751902657 1 settings made for x set atom $i y ${y0} set atom 73 y ${y0} set atom 73 y 5.52039463465411 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.80759401837473 variable y0 equal ${yi} variable y0 equal 4.6440585290806 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.77720305243616 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.73006766194269 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1820 -2.9871562 -2.541029 -2.5395864 1821 -2.9871562 -2.541029 -2.5193222 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.80759401837473 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.6440585290806 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 6.99553199091598 variable y0 equal ${yi} variable y0 equal 8.37164120592174 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 7.05071701088592 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.41448885120449 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1821 -2.9871562 -2.541029 -2.5193222 1822 -2.9871562 -2.541029 -2.5309825 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 6.99553199091598 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.37164120592174 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.26957070906373 variable y0 equal ${yi} variable y0 equal 1.93462480685777 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.32339063961717 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.84028247973985 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1822 -2.9871562 -2.541029 -2.5309825 1823 -2.9871562 -2.541029 -2.5197912 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.26957070906373 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.93462480685777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.98550258834353 variable y0 equal ${yi} variable y0 equal 6.47227353588572 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 5.99108362157336 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.47729490534296 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1823 -2.9871562 -2.541029 -2.5197912 1824 -2.9871562 -2.541029 -2.5409025 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 72 x ${x0} set atom 72 x 5.98550258834353 1 settings made for x set atom $i y ${y0} set atom 72 y ${y0} set atom 72 y 6.47227353588572 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 9 variable x0 equal ${xi} variable x0 equal 4.24272296507568 variable y0 equal ${yi} variable y0 equal 0.0256201386451842 set atom $i x ${xnew} set atom 9 x ${xnew} set atom 9 x 4.14610737641067 1 settings made for x set atom $i y ${ynew} set atom 9 y ${ynew} set atom 9 y 0.0944638848304869 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1824 -2.9871562 -2.541029 -2.5409025 1825 -2.9871562 -2.541029 -2.4957967 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 9 x ${x0} set atom 9 x 4.24272296507568 1 settings made for x set atom $i y ${y0} set atom 9 y ${y0} set atom 9 y 0.0256201386451842 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.50235789218808 variable y0 equal ${yi} variable y0 equal 3.73372400565278 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.54929796853925 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.83281788392198 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1825 -2.9871562 -2.541029 -2.4957967 1826 -2.9871562 -2.541029 -2.4605601 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 51 x ${x0} set atom 51 x 5.50235789218808 1 settings made for x set atom $i y ${y0} set atom 51 y ${y0} set atom 51 y 3.73372400565278 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.99518160540611 variable y0 equal ${yi} variable y0 equal 0.952992590177384 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 8.98599239308387 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 0.925951715219346 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1826 -2.9871562 -2.541029 -2.4605601 1827 -2.9871562 -2.541029 -2.5451196 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.54511963377463 variable naccept equal ${increment} variable naccept equal 391 next iter jump SELF loop variable i equal ${irandom} variable i equal 98 variable x0 equal ${xi} variable x0 equal 9.09545654971154 variable y0 equal ${yi} variable y0 equal 8.37382508434351 set atom $i x ${xnew} set atom 98 x ${xnew} set atom 98 x 9.04594708401711 1 settings made for x set atom $i y ${ynew} set atom 98 y ${ynew} set atom 98 y 8.40107831872995 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1827 -2.9871562 -2.5451196 -2.5451196 1828 -2.9871562 -2.5451196 -2.5303693 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 98 x ${x0} set atom 98 x 9.09545654971154 1 settings made for x set atom $i y ${y0} set atom 98 y ${y0} set atom 98 y 8.37382508434351 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.98549635687515 variable y0 equal ${yi} variable y0 equal 2.82734158011773 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 7.0770720032756 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.75781829329827 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1828 -2.9871562 -2.5451196 -2.5303693 1829 -2.9871562 -2.5451196 -2.4839984 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.98549635687515 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.82734158011773 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.41745940843489 variable y0 equal ${yi} variable y0 equal 5.54884942715364 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.45588709512617 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.57183984463411 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1829 -2.9871562 -2.5451196 -2.4839984 1830 -2.9871562 -2.5451196 -2.5421241 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.41745940843489 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.54884942715364 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.24420675992527 variable y0 equal ${yi} variable y0 equal 3.73567457957399 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.22927008628407 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.77664699120653 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1830 -2.9871562 -2.5451196 -2.5421241 1831 -2.9871562 -2.5451196 -2.5412552 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.24420675992527 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.73567457957399 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 10.6911063273601 variable y0 equal ${yi} variable y0 equal 5.45732250158982 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 10.6718435128383 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.40470645373063 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1831 -2.9871562 -2.5451196 -2.5412552 1832 -2.9871562 -2.5451196 -2.52658 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 61 x ${x0} set atom 61 x 10.6911063273601 1 settings made for x set atom $i y ${y0} set atom 61 y ${y0} set atom 61 y 5.45732250158982 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.16921079794274 variable y0 equal ${yi} variable y0 equal 1.86157575032777 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.20143455902444 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.90381513021058 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1832 -2.9871562 -2.5451196 -2.52658 1833 -2.9871562 -2.5451196 -2.535609 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.16921079794274 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.86157575032777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 50 variable x0 equal ${xi} variable x0 equal 4.95269535421668 variable y0 equal ${yi} variable y0 equal 4.50253551358148 set atom $i x ${xnew} set atom 50 x ${xnew} set atom 50 x 4.96236024736701 1 settings made for x set atom $i y ${ynew} set atom 50 y ${ynew} set atom 50 y 4.44546908492013 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1833 -2.9871562 -2.5451196 -2.535609 1834 -2.9871562 -2.5451196 -2.4635655 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 50 x ${x0} set atom 50 x 4.95269535421668 1 settings made for x set atom $i y ${y0} set atom 50 y ${y0} set atom 50 y 4.50253551358148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 10.7265060384922 variable y0 equal ${yi} variable y0 equal 1.84549867293901 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x 10.6857234438114 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.75850278518266 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1834 -2.9871562 -2.5451196 -2.4635655 1835 -2.9871562 -2.5451196 -2.5099441 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 21 x ${x0} set atom 21 x 10.7265060384922 1 settings made for x set atom $i y ${y0} set atom 21 y ${y0} set atom 21 y 1.84549867293901 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.41745940843489 variable y0 equal ${yi} variable y0 equal 5.54884942715364 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.35778102079298 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.53211250250536 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1835 -2.9871562 -2.5451196 -2.5099441 1836 -2.9871562 -2.5451196 -2.5369734 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.41745940843489 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.54884942715364 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.31794871170731 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.59519058411319 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1836 -2.9871562 -2.5451196 -2.5369734 1837 -2.9871562 -2.5451196 -2.5336355 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.29028950968 variable y0 equal ${yi} variable y0 equal 6.46599212423793 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.209429288294 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.4327117516183 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1837 -2.9871562 -2.5451196 -2.5336355 1838 -2.9871562 -2.5451196 -2.5218619 Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.29028950968 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.46599212423793 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.5878455599004 variable y0 equal ${yi} variable y0 equal 9.28117802846759 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.5382596333677 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 9.3042393158707 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1838 -2.9871562 -2.5451196 -2.5218619 1839 -2.9871562 -2.5451196 -2.5366804 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 1 x ${x0} set atom 1 x 10.5878455599004 1 settings made for x set atom $i y ${y0} set atom 1 y ${y0} set atom 1 y 9.28117802846759 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.74727117021515 variable y0 equal ${yi} variable y0 equal 6.50648560062877 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.81043250759079 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.55555092827312 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1839 -2.9871562 -2.5451196 -2.5366804 1840 -2.9871562 -2.5451196 -2.5128816 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 66 x ${x0} set atom 66 x 2.74727117021515 1 settings made for x set atom $i y ${y0} set atom 66 y ${y0} set atom 66 y 6.50648560062877 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.98549635687515 variable y0 equal ${yi} variable y0 equal 2.82734158011773 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 6.94978266039535 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.78001506301263 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1840 -2.9871562 -2.5451196 -2.5128816 1841 -2.9871562 -2.5451196 -2.5414457 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.98549635687515 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.82734158011773 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.1789412740728 variable y0 equal ${yi} variable y0 equal 2.78276804658273 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.2219241146108 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.69119696589807 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1841 -2.9871562 -2.5451196 -2.5414457 1842 -2.9871562 -2.5451196 -2.5309078 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.1789412740728 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.78276804658273 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.29028950968 variable y0 equal ${yi} variable y0 equal 6.46599212423793 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.3734088186285 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.49223192469112 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1842 -2.9871562 -2.5451196 -2.5309078 1843 -2.9871562 -2.5451196 -2.5321419 Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.29028950968 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.46599212423793 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.8951647126609 variable y0 equal ${yi} variable y0 equal 2.85868977280953 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 4.93561546444236 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.93322390290597 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1843 -2.9871562 -2.5451196 -2.5321419 1844 -2.9871562 -2.5451196 -2.509483 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 30 x ${x0} set atom 30 x 4.8951647126609 1 settings made for x set atom $i y ${y0} set atom 30 y ${y0} set atom 30 y 2.85868977280953 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.35422850051785 variable y0 equal ${yi} variable y0 equal 7.41203050937915 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.43774528900052 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.39252740469241 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1844 -2.9871562 -2.5451196 -2.509483 1845 -2.9871562 -2.5451196 -2.5423623 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.35422850051785 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.41203050937915 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 75 variable x0 equal ${xi} variable x0 equal 7.54070384342442 variable y0 equal ${yi} variable y0 equal 5.62746680920321 set atom $i x ${xnew} set atom 75 x ${xnew} set atom 75 x 7.54245040256749 1 settings made for x set atom $i y ${ynew} set atom 75 y ${ynew} set atom 75 y 5.69577145521838 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1845 -2.9871562 -2.5451196 -2.5423623 1846 -2.9871562 -2.5451196 -2.5015613 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 75 x ${x0} set atom 75 x 7.54070384342442 1 settings made for x set atom $i y ${y0} set atom 75 y ${y0} set atom 75 y 5.62746680920321 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.65179794033003 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.75131498927041 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1846 -2.9871562 -2.5451196 -2.5015613 1847 -2.9871562 -2.5451196 -2.4968246 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.15771750847207 variable y0 equal ${yi} variable y0 equal 7.45649659958148 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.16723856369363 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.46657561388278 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1847 -2.9871562 -2.5451196 -2.4968246 1848 -2.9871562 -2.5451196 -2.5443099 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.15771750847207 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.45649659958148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.19388546387063 variable y0 equal ${yi} variable y0 equal 3.77270575328004 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.22711526790963 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.72155836386811 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1848 -2.9871562 -2.5451196 -2.5443099 1849 -2.9871562 -2.5451196 -2.5275731 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.19388546387063 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.77270575328004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.54407576480333 variable y0 equal ${yi} variable y0 equal 3.66106940074097 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.62414890685503 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.5805293159021 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1849 -2.9871562 -2.5451196 -2.5275731 1850 -2.9871562 -2.5451196 -2.4935326 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.54407576480333 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.66106940074097 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 10.7265060384922 variable y0 equal ${yi} variable y0 equal 1.84549867293901 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x 10.7464429696255 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.8231418528325 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1850 -2.9871562 -2.5451196 -2.4935326 1851 -2.9871562 -2.5451196 -2.5427637 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 21 x ${x0} set atom 21 x 10.7265060384922 1 settings made for x set atom $i y ${y0} set atom 21 y ${y0} set atom 21 y 1.84549867293901 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.80759401837473 variable y0 equal ${yi} variable y0 equal 4.6440585290806 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.74327242890482 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.64463998431131 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1851 -2.9871562 -2.5451196 -2.5427637 1852 -2.9871562 -2.5451196 -2.5351621 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.80759401837473 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.6440585290806 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.36129931608106 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y 0.0695984482765173 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1852 -2.9871562 -2.5451196 -2.5351621 1853 -2.9871562 -2.5451196 -2.5272068 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.20556546488 variable y0 equal ${yi} variable y0 equal 0.955296619642108 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.1259036664028 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 1.01249249767098 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1853 -2.9871562 -2.5451196 -2.5272068 1854 -2.9871562 -2.5451196 -2.5379012 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 20 x ${x0} set atom 20 x 10.20556546488 1 settings made for x set atom $i y ${y0} set atom 20 y ${y0} set atom 20 y 0.955296619642108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 36 variable x0 equal ${xi} variable x0 equal 8.01815503238536 variable y0 equal ${yi} variable y0 equal 2.72729808064798 set atom $i x ${xnew} set atom 36 x ${xnew} set atom 36 x 8.11479864715434 1 settings made for x set atom $i y ${ynew} set atom 36 y ${ynew} set atom 36 y 2.78606547089914 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1854 -2.9871562 -2.5451196 -2.5379012 1855 -2.9871562 -2.5451196 -2.5214245 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 36 x ${x0} set atom 36 x 8.01815503238536 1 settings made for x set atom $i y ${y0} set atom 36 y ${y0} set atom 36 y 2.72729808064798 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.98599239308387 variable y0 equal ${yi} variable y0 equal 0.925951715219346 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 8.99733357150108 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 0.847655673730699 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1855 -2.9871562 -2.5451196 -2.5214245 1856 -2.9871562 -2.5451196 -2.5105113 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 8.98599239308387 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.925951715219346 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.98599239308387 variable y0 equal ${yi} variable y0 equal 0.925951715219346 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 8.96855984646827 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 0.840420003640977 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1856 -2.9871562 -2.5451196 -2.5105113 1857 -2.9871562 -2.5451196 -2.5152494 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 8.98599239308387 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.925951715219346 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.46753388483297 variable y0 equal ${yi} variable y0 equal 0.0335806965827942 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.44376786787283 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y 0.0436333179473877 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1857 -2.9871562 -2.5451196 -2.5152494 1858 -2.9871562 -2.5451196 -2.5446465 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.46753388483297 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.0335806965827942 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.570630665222075 variable y0 equal ${yi} variable y0 equal 0.909747691858138 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.525174053111937 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.894475575197066 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1858 -2.9871562 -2.5451196 -2.5446465 1859 -2.9871562 -2.5451196 -2.54894 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.54894002023 variable naccept equal ${increment} variable naccept equal 392 next iter jump SELF loop variable i equal ${irandom} variable i equal 87 variable x0 equal ${xi} variable x0 equal 3.20964491128483 variable y0 equal ${yi} variable y0 equal 7.4096286090877 set atom $i x ${xnew} set atom 87 x ${xnew} set atom 87 x 3.12443485021153 1 settings made for x set atom $i y ${ynew} set atom 87 y ${ynew} set atom 87 y 7.3756039294269 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1859 -2.9871562 -2.54894 -2.54894 1860 -2.9871562 -2.54894 -2.5076652 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 87 x ${x0} set atom 87 x 3.20964491128483 1 settings made for x set atom $i y ${y0} set atom 87 y ${y0} set atom 87 y 7.4096286090877 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 93 variable x0 equal ${xi} variable x0 equal 6.45546932934839 variable y0 equal ${yi} variable y0 equal 7.46753717985414 set atom $i x ${xnew} set atom 93 x ${xnew} set atom 93 x 6.38405916213114 1 settings made for x set atom $i y ${ynew} set atom 93 y ${ynew} set atom 93 y 7.46646676388048 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1860 -2.9871562 -2.54894 -2.5076652 1861 -2.9871562 -2.54894 -2.5448421 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 93 x ${x0} set atom 93 x 6.45546932934839 1 settings made for x set atom $i y ${y0} set atom 93 y ${y0} set atom 93 y 7.46753717985414 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 86 variable x0 equal ${xi} variable x0 equal 2.71264111001922 variable y0 equal ${yi} variable y0 equal 8.37165092147884 set atom $i x ${xnew} set atom 86 x ${xnew} set atom 86 x 2.72805533607437 1 settings made for x set atom $i y ${ynew} set atom 86 y ${ynew} set atom 86 y 8.34013342775402 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1861 -2.9871562 -2.54894 -2.5448421 1862 -2.9871562 -2.54894 -2.5451728 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 86 x ${x0} set atom 86 x 2.71264111001922 1 settings made for x set atom $i y ${y0} set atom 86 y ${y0} set atom 86 y 8.37165092147884 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 10.7265060384922 variable y0 equal ${yi} variable y0 equal 1.84549867293901 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x 10.7174429615192 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.7909929790265 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1862 -2.9871562 -2.54894 -2.5451728 1863 -2.9871562 -2.54894 -2.5369124 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 21 x ${x0} set atom 21 x 10.7265060384922 1 settings made for x set atom $i y ${y0} set atom 21 y ${y0} set atom 21 y 1.84549867293901 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.31596373716261 variable y0 equal ${yi} variable y0 equal 1.83819601914949 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.24277633825209 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.91336518905229 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1863 -2.9871562 -2.54894 -2.5369124 1864 -2.9871562 -2.54894 -2.5312005 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 31 x ${x0} set atom 31 x 5.31596373716261 1 settings made for x set atom $i y ${y0} set atom 31 y ${y0} set atom 31 y 1.83819601914949 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.50331240732442 variable y0 equal ${yi} variable y0 equal 7.44483136263156 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.40551712353002 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.42230179634357 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1864 -2.9871562 -2.54894 -2.5312005 1865 -2.9871562 -2.54894 -2.5192547 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 95 x ${x0} set atom 95 x 7.50331240732442 1 settings made for x set atom $i y ${y0} set atom 95 y ${y0} set atom 95 y 7.44483136263156 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 33 variable x0 equal ${xi} variable x0 equal 6.35099447487909 variable y0 equal ${yi} variable y0 equal 1.92307773015564 set atom $i x ${xnew} set atom 33 x ${xnew} set atom 33 x 6.30348613976556 1 settings made for x set atom $i y ${ynew} set atom 33 y ${ynew} set atom 33 y 1.88143332383698 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1865 -2.9871562 -2.54894 -2.5192547 1866 -2.9871562 -2.54894 -2.5443607 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 33 x ${x0} set atom 33 x 6.35099447487909 1 settings made for x set atom $i y ${y0} set atom 33 y ${y0} set atom 33 y 1.92307773015564 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.19388546387063 variable y0 equal ${yi} variable y0 equal 3.77270575328004 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.28340689579354 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.80234350724351 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1866 -2.9871562 -2.54894 -2.5443607 1867 -2.9871562 -2.54894 -2.5181743 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.19388546387063 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.77270575328004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.131702781107 variable y0 equal ${yi} variable y0 equal 8.31063791431484 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.0944396618863 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.39338899768886 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1867 -2.9871562 -2.54894 -2.5181743 1868 -2.9871562 -2.54894 -2.5439368 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 100 x ${x0} set atom 100 x 10.131702781107 1 settings made for x set atom $i y ${y0} set atom 100 y ${y0} set atom 100 y 8.31063791431484 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.35422850051785 variable y0 equal ${yi} variable y0 equal 7.41203050937915 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.42542308965588 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.36853936043048 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1868 -2.9871562 -2.54894 -2.5439368 1869 -2.9871562 -2.54894 -2.5465813 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.35422850051785 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.41203050937915 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.05432130693294 variable y0 equal ${yi} variable y0 equal 8.31604041971262 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 7.98981396554805 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.31956210054453 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1869 -2.9871562 -2.54894 -2.5465813 1870 -2.9871562 -2.54894 -2.5420951 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.05432130693294 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.31604041971262 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.35422850051785 variable y0 equal ${yi} variable y0 equal 7.41203050937915 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.33617816368008 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.34661232557559 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1870 -2.9871562 -2.54894 -2.5420951 1871 -2.9871562 -2.54894 -2.536532 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.35422850051785 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.41203050937915 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.23979663292276 variable y0 equal ${yi} variable y0 equal 5.5713402385016 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.27425597349512 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.61283602659898 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1871 -2.9871562 -2.54894 -2.536532 1872 -2.9871562 -2.54894 -2.5405839 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.23979663292276 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.5713402385016 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 35 variable x0 equal ${xi} variable x0 equal 7.37088978130592 variable y0 equal ${yi} variable y0 equal 1.86757599494523 set atom $i x ${xnew} set atom 35 x ${xnew} set atom 35 x 7.33302517969383 1 settings made for x set atom $i y ${ynew} set atom 35 y ${ynew} set atom 35 y 1.81912293813294 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1872 -2.9871562 -2.54894 -2.5405839 1873 -2.9871562 -2.54894 -2.527857 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 35 x ${x0} set atom 35 x 7.37088978130592 1 settings made for x set atom $i y ${y0} set atom 35 y ${y0} set atom 35 y 1.86757599494523 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.1789412740728 variable y0 equal ${yi} variable y0 equal 2.78276804658273 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.1894146088621 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.87145475121835 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1873 -2.9871562 -2.54894 -2.527857 1874 -2.9871562 -2.54894 -2.5384058 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.1789412740728 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.78276804658273 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 82 variable x0 equal ${xi} variable x0 equal 0.44764589826193 variable y0 equal ${yi} variable y0 equal 8.32563534893091 set atom $i x ${xnew} set atom 82 x ${xnew} set atom 82 x 0.350734897056486 1 settings made for x set atom $i y ${ynew} set atom 82 y ${ynew} set atom 82 y 8.37039880670602 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1874 -2.9871562 -2.54894 -2.5384058 1875 -2.9871562 -2.54894 -2.5256326 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 82 x ${x0} set atom 82 x 0.44764589826193 1 settings made for x set atom $i y ${y0} set atom 82 y ${y0} set atom 82 y 8.32563534893091 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 81 variable x0 equal ${xi} variable x0 equal 0.0322040319442937 variable y0 equal ${yi} variable y0 equal 7.38692112293505 set atom $i x ${xnew} set atom 81 x ${xnew} set atom 81 x -0.0167962193488887 1 settings made for x set atom $i y ${ynew} set atom 81 y ${ynew} set atom 81 y 7.37720476713442 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1875 -2.9871562 -2.54894 -2.5256326 1876 -2.9871562 -2.54894 -2.5431866 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 81 x ${x0} set atom 81 x 0.0322040319442937 1 settings made for x set atom $i y ${y0} set atom 81 y ${y0} set atom 81 y 7.38692112293505 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.49153032778379 variable y0 equal ${yi} variable y0 equal 0.0782125592231747 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.57771970509168 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.0528771042823788 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1876 -2.9871562 -2.54894 -2.5431866 1877 -2.9871562 -2.54894 -2.5627757 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.56277566066053 variable naccept equal ${increment} variable naccept equal 393 next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.07584694067344 variable y0 equal ${yi} variable y0 equal 0.00976005792616981 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 2.06598569790229 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y 0.0122786641120829 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1877 -2.9871562 -2.5627757 -2.5627757 1878 -2.9871562 -2.5627757 -2.5616455 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 2.07584694067344 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 0.00976005792616981 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 99 variable x0 equal ${xi} variable x0 equal 9.7112571763861 variable y0 equal ${yi} variable y0 equal 7.38156818475986 set atom $i x ${xnew} set atom 99 x ${xnew} set atom 99 x 9.74632789372085 1 settings made for x set atom $i y ${ynew} set atom 99 y ${ynew} set atom 99 y 7.33005817261005 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1878 -2.9871562 -2.5627757 -2.5616455 1879 -2.9871562 -2.5627757 -2.5539806 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 99 x ${x0} set atom 99 x 9.7112571763861 1 settings made for x set atom $i y ${y0} set atom 99 y ${y0} set atom 99 y 7.38156818475986 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.6009168970563 variable y0 equal ${yi} variable y0 equal 0.937610264528124 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.50452022433062 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.88129573653969 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1879 -2.9871562 -2.5627757 -2.5539806 1880 -2.9871562 -2.5627757 -2.5482748 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.6009168970563 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.937610264528124 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.35422850051785 variable y0 equal ${yi} variable y0 equal 7.41203050937915 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.35271943012143 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.31432999696994 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1880 -2.9871562 -2.5627757 -2.5482748 1881 -2.9871562 -2.5627757 -2.5436951 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.35422850051785 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.41203050937915 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.6009168970563 variable y0 equal ${yi} variable y0 equal 0.937610264528124 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.6707647073247 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.917089756238787 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1881 -2.9871562 -2.5627757 -2.5436951 1882 -2.9871562 -2.5627757 -2.5497963 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.6009168970563 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.937610264528124 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.89080204048797 variable y0 equal ${yi} variable y0 equal 0.962413962591011 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.99027600565597 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 0.916376157510597 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1882 -2.9871562 -2.5627757 -2.5497963 1883 -2.9871562 -2.5627757 -2.5337047 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.89080204048797 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 0.962413962591011 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 8 variable x0 equal ${xi} variable x0 equal 3.72333437720424 variable y0 equal ${yi} variable y0 equal 1.06102300475869 set atom $i x ${xnew} set atom 8 x ${xnew} set atom 8 x 3.72890197554714 1 settings made for x set atom $i y ${ynew} set atom 8 y ${ynew} set atom 8 y 1.0604893166903 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1883 -2.9871562 -2.5627757 -2.5337047 1884 -2.9871562 -2.5627757 -2.5628604 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.56286039010838 variable naccept equal ${increment} variable naccept equal 394 next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.98550258834353 variable y0 equal ${yi} variable y0 equal 6.47227353588572 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 5.93130503852358 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.44556225077143 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1884 -2.9871562 -2.5628604 -2.5628604 1885 -2.9871562 -2.5628604 -2.5579394 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 72 x ${x0} set atom 72 x 5.98550258834353 1 settings made for x set atom $i y ${y0} set atom 72 y ${y0} set atom 72 y 6.47227353588572 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 6.99553199091598 variable y0 equal ${yi} variable y0 equal 8.37164120592174 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 6.95489427128479 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.36493048585949 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1885 -2.9871562 -2.5628604 -2.5579394 1886 -2.9871562 -2.5628604 -2.5621739 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 6.99553199091598 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.37164120592174 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 10.6911063273601 variable y0 equal ${yi} variable y0 equal 5.45732250158982 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 10.6663047512226 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.49085344021516 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1886 -2.9871562 -2.5628604 -2.5621739 1887 -2.9871562 -2.5628604 -2.5621693 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 61 x ${x0} set atom 61 x 10.6911063273601 1 settings made for x set atom $i y ${y0} set atom 61 y ${y0} set atom 61 y 5.45732250158982 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.54554458140013 variable y0 equal ${yi} variable y0 equal 3.70140816731585 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.51365242479918 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.70964928431643 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1887 -2.9871562 -2.5628604 -2.5621693 1888 -2.9871562 -2.5628604 -2.552194 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 59 x ${x0} set atom 59 x 9.54554458140013 1 settings made for x set atom $i y ${y0} set atom 59 y ${y0} set atom 59 y 3.70140816731585 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.29705986181165 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y -0.030494892597201 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1888 -2.9871562 -2.5628604 -2.552194 1889 -2.9871562 -2.5628604 -2.559113 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.525174053111937 variable y0 equal ${yi} variable y0 equal 0.894475575197066 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.541543729701903 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.891679414022292 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1889 -2.9871562 -2.5628604 -2.559113 1890 -2.9871562 -2.5628604 -2.5622539 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.525174053111937 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.894475575197066 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.41745940843489 variable y0 equal ${yi} variable y0 equal 5.54884942715364 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.46816363731291 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.53954304402071 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1890 -2.9871562 -2.5628604 -2.5622539 1891 -2.9871562 -2.5628604 -2.5547772 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2436.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.41745940843489 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.54884942715364 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 35 variable x0 equal ${xi} variable x0 equal 7.37088978130592 variable y0 equal ${yi} variable y0 equal 1.86757599494523 set atom $i x ${xnew} set atom 35 x ${xnew} set atom 35 x 7.41105691034568 1 settings made for x set atom $i y ${ynew} set atom 35 y ${ynew} set atom 35 y 1.86285059831208 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1891 -2.9871562 -2.5628604 -2.5547772 1892 -2.9871562 -2.5628604 -2.5661791 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.5661790973644 variable naccept equal ${increment} variable naccept equal 395 next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.50235789218808 variable y0 equal ${yi} variable y0 equal 3.73372400565278 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.46438482204343 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.66382379098069 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1892 -2.9871562 -2.5661791 -2.5661791 1893 -2.9871562 -2.5661791 -2.5481911 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 51 x ${x0} set atom 51 x 5.50235789218808 1 settings made for x set atom $i y ${y0} set atom 51 y ${y0} set atom 51 y 3.73372400565278 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 41 variable x0 equal ${xi} variable x0 equal 0.0431623816490095 variable y0 equal ${yi} variable y0 equal 3.68648581071032 set atom $i x ${xnew} set atom 41 x ${xnew} set atom 41 x -0.0216213703155596 1 settings made for x set atom $i y ${ynew} set atom 41 y ${ynew} set atom 41 y 3.61173309846056 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1893 -2.9871562 -2.5661791 -2.5481911 1894 -2.9871562 -2.5661791 -2.5580894 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 41 x ${x0} set atom 41 x 0.0431623816490095 1 settings made for x set atom $i y ${y0} set atom 41 y ${y0} set atom 41 y 3.68648581071032 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.57771970509168 variable y0 equal ${yi} variable y0 equal 0.0528771042823788 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.64354751585599 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.0546420574188229 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1894 -2.9871562 -2.5661791 -2.5580894 1895 -2.9871562 -2.5661791 -2.5435745 Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.57771970509168 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.0528771042823788 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 75 variable x0 equal ${xi} variable x0 equal 7.54070384342442 variable y0 equal ${yi} variable y0 equal 5.62746680920321 set atom $i x ${xnew} set atom 75 x ${xnew} set atom 75 x 7.62768572408925 1 settings made for x set atom $i y ${ynew} set atom 75 y ${ynew} set atom 75 y 5.53074058239657 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1895 -2.9871562 -2.5661791 -2.5435745 1896 -2.9871562 -2.5661791 -2.5541642 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 75 x ${x0} set atom 75 x 7.54070384342442 1 settings made for x set atom $i y ${y0} set atom 75 y ${y0} set atom 75 y 5.62746680920321 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.19388546387063 variable y0 equal ${yi} variable y0 equal 3.77270575328004 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.18215294519769 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.84221334023606 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1896 -2.9871562 -2.5661791 -2.5541642 1897 -2.9871562 -2.5661791 -2.5591238 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.19388546387063 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.77270575328004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.20556546488 variable y0 equal ${yi} variable y0 equal 0.955296619642108 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.288342559721 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.918077226388782 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1897 -2.9871562 -2.5661791 -2.5591238 1898 -2.9871562 -2.5661791 -2.5393188 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 20 x ${x0} set atom 20 x 10.20556546488 1 settings made for x set atom $i y ${y0} set atom 20 y ${y0} set atom 20 y 0.955296619642108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.82160441517171 variable y0 equal ${yi} variable y0 equal 8.38617150701579 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.74824603437718 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.31298493064937 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1898 -2.9871562 -2.5661791 -2.5393188 1899 -2.9871562 -2.5661791 -2.5460848 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.82160441517171 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.38617150701579 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.98599239308387 variable y0 equal ${yi} variable y0 equal 0.925951715219346 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 9.00971822459251 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 0.846294828164903 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1899 -2.9871562 -2.5661791 -2.5460848 1900 -2.9871562 -2.5661791 -2.5625852 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 8.98599239308387 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.925951715219346 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.64328949609225 variable y0 equal ${yi} variable y0 equal 7.40728055563236 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.71289751687472 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.44543252315784 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1900 -2.9871562 -2.5661791 -2.5625852 1901 -2.9871562 -2.5661791 -2.560836 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 97 x ${x0} set atom 97 x 8.64328949609225 1 settings made for x set atom $i y ${y0} set atom 97 y ${y0} set atom 97 y 7.40728055563236 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.50331240732442 variable y0 equal ${yi} variable y0 equal 7.44483136263156 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.49289957124959 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.4591614874866 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1901 -2.9871562 -2.5661791 -2.560836 1902 -2.9871562 -2.5661791 -2.5633034 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 95 x ${x0} set atom 95 x 7.50331240732442 1 settings made for x set atom $i y ${y0} set atom 95 y ${y0} set atom 95 y 7.44483136263156 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 41 variable x0 equal ${xi} variable x0 equal 0.0431623816490095 variable y0 equal ${yi} variable y0 equal 3.68648581071032 set atom $i x ${xnew} set atom 41 x ${xnew} set atom 41 x -0.0418251872062761 1 settings made for x set atom $i y ${ynew} set atom 41 y ${ynew} set atom 41 y 3.65389419360293 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1902 -2.9871562 -2.5661791 -2.5633034 1903 -2.9871562 -2.5661791 -2.5679192 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.56791916261878 variable naccept equal ${increment} variable naccept equal 396 next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.89080204048797 variable y0 equal ${yi} variable y0 equal 0.962413962591011 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.81864675560638 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 0.874931784379799 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1903 -2.9871562 -2.5679192 -2.5679192 1904 -2.9871562 -2.5679192 -2.5368125 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.89080204048797 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 0.962413962591011 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.50235789218808 variable y0 equal ${yi} variable y0 equal 3.73372400565278 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.59361919561291 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.66725219054353 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1904 -2.9871562 -2.5679192 -2.5368125 1905 -2.9871562 -2.5679192 -2.4502153 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 51 x ${x0} set atom 51 x 5.50235789218808 1 settings made for x set atom $i y ${y0} set atom 51 y ${y0} set atom 51 y 3.73372400565278 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 36 variable x0 equal ${xi} variable x0 equal 8.01815503238536 variable y0 equal ${yi} variable y0 equal 2.72729808064798 set atom $i x ${xnew} set atom 36 x ${xnew} set atom 36 x 8.08840156196452 1 settings made for x set atom $i y ${ynew} set atom 36 y ${ynew} set atom 36 y 2.63483247729639 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1905 -2.9871562 -2.5679192 -2.4502153 1906 -2.9871562 -2.5679192 -2.4943969 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 36 x ${x0} set atom 36 x 8.01815503238536 1 settings made for x set atom $i y ${y0} set atom 36 y ${y0} set atom 36 y 2.72729808064798 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.15771750847207 variable y0 equal ${yi} variable y0 equal 7.45649659958148 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.24405559936868 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.4660461696651 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1906 -2.9871562 -2.5679192 -2.4943969 1907 -2.9871562 -2.5679192 -2.5492677 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.15771750847207 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.45649659958148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.05432130693294 variable y0 equal ${yi} variable y0 equal 8.31604041971262 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 7.97367545961238 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.40798517383631 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1907 -2.9871562 -2.5679192 -2.5492677 1908 -2.9871562 -2.5679192 -2.5468876 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.05432130693294 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.31604041971262 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.12744101880885 variable y0 equal ${yi} variable y0 equal 6.56631985441675 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 8.10878357290126 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.51199351088037 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1908 -2.9871562 -2.5679192 -2.5468876 1909 -2.9871562 -2.5679192 -2.5647445 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 76 x ${x0} set atom 76 x 8.12744101880885 1 settings made for x set atom $i y ${y0} set atom 76 y ${y0} set atom 76 y 6.56631985441675 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.46753388483297 variable y0 equal ${yi} variable y0 equal 0.0335806965827942 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.47891548712026 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y 0.047444748878479 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1909 -2.9871562 -2.5679192 -2.5647445 1910 -2.9871562 -2.5679192 -2.5650166 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.46753388483297 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.0335806965827942 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.95025718807079 variable y0 equal ${yi} variable y0 equal 0.949378951299518 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.97175607084133 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 0.935547157037586 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1910 -2.9871562 -2.5679192 -2.5650166 1911 -2.9871562 -2.5679192 -2.5672993 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.95025718807079 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.949378951299518 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.8951647126609 variable y0 equal ${yi} variable y0 equal 2.85868977280953 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 4.84459139942466 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.8530292389045 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1911 -2.9871562 -2.5679192 -2.5672993 1912 -2.9871562 -2.5679192 -2.5673062 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.56730622725458 variable naccept equal ${increment} variable naccept equal 397 next iter jump SELF loop variable i equal ${irandom} variable i equal 62 variable x0 equal ${xi} variable x0 equal 0.654104717174436 variable y0 equal ${yi} variable y0 equal 6.49111358658304 set atom $i x ${xnew} set atom 62 x ${xnew} set atom 62 x 0.669518621364499 1 settings made for x set atom $i y ${ynew} set atom 62 y ${ynew} set atom 62 y 6.40323361889353 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1912 -2.9871562 -2.5673062 -2.5673062 1913 -2.9871562 -2.5673062 -2.5240055 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 62 x ${x0} set atom 62 x 0.654104717174436 1 settings made for x set atom $i y ${y0} set atom 62 y ${y0} set atom 62 y 6.49111358658304 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.11815181096249 variable y0 equal ${yi} variable y0 equal 7.44427507248187 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.08228204568081 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.54054940071368 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1913 -2.9871562 -2.5673062 -2.5240055 1914 -2.9871562 -2.5673062 -2.5524218 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.11815181096249 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.44427507248187 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.81670362273342 variable y0 equal ${yi} variable y0 equal 2.85977786752084 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.88165532866604 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.87440716000894 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1914 -2.9871562 -2.5673062 -2.5524218 1915 -2.9871562 -2.5673062 -2.5395487 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.81670362273342 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.85977786752084 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.31277988353635 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y -0.0868708610534693 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1915 -2.9871562 -2.5673062 -2.5395487 1916 -2.9871562 -2.5673062 -2.5469212 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.31596373716261 variable y0 equal ${yi} variable y0 equal 1.83819601914949 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.32781621614363 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.81532698056764 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1916 -2.9871562 -2.5673062 -2.5469212 1917 -2.9871562 -2.5673062 -2.5635756 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 31 x ${x0} set atom 31 x 5.31596373716261 1 settings made for x set atom $i y ${y0} set atom 31 y ${y0} set atom 31 y 1.83819601914949 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 35 variable x0 equal ${xi} variable x0 equal 7.41105691034568 variable y0 equal ${yi} variable y0 equal 1.86285059831208 set atom $i x ${xnew} set atom 35 x ${xnew} set atom 35 x 7.3547941549517 1 settings made for x set atom $i y ${ynew} set atom 35 y ${ynew} set atom 35 y 1.95512600324219 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1917 -2.9871562 -2.5673062 -2.5635756 1918 -2.9871562 -2.5673062 -2.5337048 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 35 x ${x0} set atom 35 x 7.41105691034568 1 settings made for x set atom $i y ${y0} set atom 35 y ${y0} set atom 35 y 1.86285059831208 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.89040735601722 variable y0 equal ${yi} variable y0 equal 6.45623155371179 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.92328787683784 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.45926671759118 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1918 -2.9871562 -2.5673062 -2.5337048 1919 -2.9871562 -2.5673062 -2.5649755 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.89040735601722 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.45623155371179 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.6009168970563 variable y0 equal ${yi} variable y0 equal 0.937610264528124 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.63385331511279 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.891156693208544 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1919 -2.9871562 -2.5673062 -2.5649755 1920 -2.9871562 -2.5673062 -2.5583131 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.6009168970563 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.937610264528124 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.10189970134594 variable y0 equal ${yi} variable y0 equal 4.6733581578152 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.10495061277249 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.66507560366557 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1920 -2.9871562 -2.5673062 -2.5583131 1921 -2.9871562 -2.5673062 -2.5669957 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.56699571724476 variable naccept equal ${increment} variable naccept equal 398 next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.64328949609225 variable y0 equal ${yi} variable y0 equal 7.40728055563236 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.6513254062218 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.36486255255008 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1921 -2.9871562 -2.5669957 -2.5669957 1922 -2.9871562 -2.5669957 -2.5440096 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 97 x ${x0} set atom 97 x 8.64328949609225 1 settings made for x set atom $i y ${y0} set atom 97 y ${y0} set atom 97 y 7.40728055563236 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.50094277142164 variable y0 equal ${yi} variable y0 equal 1.79520596644944 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.40473785875913 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.75710432908601 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1922 -2.9871562 -2.5669957 -2.5440096 1923 -2.9871562 -2.5669957 -2.503277 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 39 x ${x0} set atom 39 x 9.50094277142164 1 settings made for x set atom $i y ${y0} set atom 39 y ${y0} set atom 39 y 1.79520596644944 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 3 variable x0 equal ${xi} variable x0 equal 0.965262642700007 variable y0 equal ${yi} variable y0 equal 9.22464752900928 set atom $i x ${xnew} set atom 3 x ${xnew} set atom 3 x 1.02897904236965 1 settings made for x set atom $i y ${ynew} set atom 3 y ${ynew} set atom 3 y 9.27259716499179 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1923 -2.9871562 -2.5669957 -2.503277 1924 -2.9871562 -2.5669957 -2.5673255 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.5673255102621 variable naccept equal ${increment} variable naccept equal 399 next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.36591658988859 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y 0.00406470298766841 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1924 -2.9871562 -2.5673255 -2.5673255 1925 -2.9871562 -2.5673255 -2.5640578 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 82 variable x0 equal ${xi} variable x0 equal 0.44764589826193 variable y0 equal ${yi} variable y0 equal 8.32563534893091 set atom $i x ${xnew} set atom 82 x ${xnew} set atom 82 x 0.480583484569456 1 settings made for x set atom $i y ${ynew} set atom 82 y ${ynew} set atom 82 y 8.38369611419733 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1925 -2.9871562 -2.5673255 -2.5640578 1926 -2.9871562 -2.5673255 -2.5709919 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.57099190645372 variable naccept equal ${increment} variable naccept equal 400 next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.19388546387063 variable y0 equal ${yi} variable y0 equal 3.77270575328004 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.22575576940881 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.6768225745691 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1926 -2.9871562 -2.5709919 -2.5709919 1927 -2.9871562 -2.5709919 -2.5266986 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.19388546387063 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.77270575328004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.26957070906373 variable y0 equal ${yi} variable y0 equal 1.93462480685777 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.2810930617592 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 2.03351244113511 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1927 -2.9871562 -2.5709919 -2.5266986 1928 -2.9871562 -2.5709919 -2.5380963 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.26957070906373 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.93462480685777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.15771750847207 variable y0 equal ${yi} variable y0 equal 7.45649659958148 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.18122052589761 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.43532284822726 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1928 -2.9871562 -2.5709919 -2.5380963 1929 -2.9871562 -2.5709919 -2.5716825 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.57168246219507 variable naccept equal ${increment} variable naccept equal 401 next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.39524874766083 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.49865702336032 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1929 -2.9871562 -2.5716825 -2.5716825 1930 -2.9871562 -2.5716825 -2.5702136 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.05432130693294 variable y0 equal ${yi} variable y0 equal 8.31604041971262 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.01978997587062 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.26049752153452 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1930 -2.9871562 -2.5716825 -2.5702136 1931 -2.9871562 -2.5716825 -2.5587111 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.05432130693294 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.31604041971262 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.18122052589761 variable y0 equal ${yi} variable y0 equal 7.43532284822726 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.23200811783181 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.44246533241534 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1931 -2.9871562 -2.5716825 -2.5587111 1932 -2.9871562 -2.5716825 -2.5596842 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.18122052589761 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.43532284822726 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.46753388483297 variable y0 equal ${yi} variable y0 equal 0.0335806965827942 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.55640276510488 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y 0.00205355882644655 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1932 -2.9871562 -2.5716825 -2.5596842 1933 -2.9871562 -2.5716825 -2.5433573 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.46753388483297 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.0335806965827942 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.525174053111937 variable y0 equal ${yi} variable y0 equal 0.894475575197066 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.506680949130919 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.970807071435774 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1933 -2.9871562 -2.5716825 -2.5433573 1934 -2.9871562 -2.5716825 -2.564062 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.525174053111937 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.894475575197066 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.98549635687515 variable y0 equal ${yi} variable y0 equal 2.82734158011773 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 6.90202143469497 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.90669712993005 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1934 -2.9871562 -2.5716825 -2.564062 1935 -2.9871562 -2.5716825 -2.5287617 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.98549635687515 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.82734158011773 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 82 variable x0 equal ${xi} variable x0 equal 0.480583484569456 variable y0 equal ${yi} variable y0 equal 8.38369611419733 set atom $i x ${xnew} set atom 82 x ${xnew} set atom 82 x 0.503885825076963 1 settings made for x set atom $i y ${ynew} set atom 82 y ${ynew} set atom 82 y 8.43314369834955 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1935 -2.9871562 -2.5716825 -2.5287617 1936 -2.9871562 -2.5716825 -2.5616535 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 82 x ${x0} set atom 82 x 0.480583484569456 1 settings made for x set atom $i y ${y0} set atom 82 y ${y0} set atom 82 y 8.38369611419733 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 81 variable x0 equal ${xi} variable x0 equal 0.0322040319442937 variable y0 equal ${yi} variable y0 equal 7.38692112293505 set atom $i x ${xnew} set atom 81 x ${xnew} set atom 81 x -0.0274049878120234 1 settings made for x set atom $i y ${ynew} set atom 81 y ${ynew} set atom 81 y 7.29749118414187 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1936 -2.9871562 -2.5716825 -2.5616535 1937 -2.9871562 -2.5716825 -2.5264429 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 81 x ${x0} set atom 81 x 0.0322040319442937 1 settings made for x set atom $i y ${y0} set atom 81 y ${y0} set atom 81 y 7.38692112293505 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.10495061277249 variable y0 equal ${yi} variable y0 equal 4.66507560366557 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.14209563135006 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.70012417191432 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1937 -2.9871562 -2.5716825 -2.5264429 1938 -2.9871562 -2.5716825 -2.5676018 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 56 x ${x0} set atom 56 x 8.10495061277249 1 settings made for x set atom $i y ${y0} set atom 56 y ${y0} set atom 56 y 4.66507560366557 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 81 variable x0 equal ${xi} variable x0 equal 0.0322040319442937 variable y0 equal ${yi} variable y0 equal 7.38692112293505 set atom $i x ${xnew} set atom 81 x ${xnew} set atom 81 x 0.128120005130787 1 settings made for x set atom $i y ${ynew} set atom 81 y ${ynew} set atom 81 y 7.43212372389101 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1938 -2.9871562 -2.5716825 -2.5676018 1939 -2.9871562 -2.5716825 -2.5564958 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 81 x ${x0} set atom 81 x 0.0322040319442937 1 settings made for x set atom $i y ${y0} set atom 81 y ${y0} set atom 81 y 7.38692112293505 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 10 variable x0 equal ${xi} variable x0 equal 4.77766234516441 variable y0 equal ${yi} variable y0 equal 0.927607925641864 set atom $i x ${xnew} set atom 10 x ${xnew} set atom 10 x 4.76203931211769 1 settings made for x set atom $i y ${ynew} set atom 10 y ${ynew} set atom 10 y 0.970833106744617 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1939 -2.9871562 -2.5716825 -2.5564958 1940 -2.9871562 -2.5716825 -2.5703087 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 10 x ${x0} set atom 10 x 4.77766234516441 1 settings made for x set atom $i y ${y0} set atom 10 y ${y0} set atom 10 y 0.927607925641864 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.545649071136379 variable y0 equal ${yi} variable y0 equal 2.77431966039041 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.571522839465999 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.83693855973581 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1940 -2.9871562 -2.5716825 -2.5703087 1941 -2.9871562 -2.5716825 -2.5669153 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.545649071136379 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.77431966039041 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.3952472933075 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.53230874483783 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1941 -2.9871562 -2.5716825 -2.5669153 1942 -2.9871562 -2.5716825 -2.5702776 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.20556546488 variable y0 equal ${yi} variable y0 equal 0.955296619642108 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.2646945599575 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.905390079725116 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1942 -2.9871562 -2.5716825 -2.5702776 1943 -2.9871562 -2.5716825 -2.5524716 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 20 x ${x0} set atom 20 x 10.20556546488 1 settings made for x set atom $i y ${y0} set atom 20 y ${y0} set atom 20 y 0.955296619642108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.05432130693294 variable y0 equal ${yi} variable y0 equal 8.31604041971262 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.07140466569759 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.23510284341867 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1943 -2.9871562 -2.5716825 -2.5524716 1944 -2.9871562 -2.5716825 -2.5548806 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.05432130693294 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.31604041971262 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.90086858232013 variable y0 equal ${yi} variable y0 equal 2.85332814427712 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.88503422696582 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.77079973193505 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1944 -2.9871562 -2.5716825 -2.5548806 1945 -2.9871562 -2.5716825 -2.5717758 Loop time of 3.98159e-05 on 1 procs for 1 steps with 100 atoms 2511.6% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.57177582849283 variable naccept equal ${increment} variable naccept equal 402 next iter jump SELF loop variable i equal ${irandom} variable i equal 12 variable x0 equal ${xi} variable x0 equal 5.84254707057468 variable y0 equal ${yi} variable y0 equal 0.912364717233509 set atom $i x ${xnew} set atom 12 x ${xnew} set atom 12 x 5.75934883315555 1 settings made for x set atom $i y ${ynew} set atom 12 y ${ynew} set atom 12 y 0.881608935106129 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1945 -2.9871562 -2.5717758 -2.5717758 1946 -2.9871562 -2.5717758 -2.5476389 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 12 x ${x0} set atom 12 x 5.84254707057468 1 settings made for x set atom $i y ${y0} set atom 12 y ${y0} set atom 12 y 0.912364717233509 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.69106418092681 variable y0 equal ${yi} variable y0 equal 0.920749815214004 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.78762643535567 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 1.01181275438103 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1946 -2.9871562 -2.5717758 -2.5476389 1947 -2.9871562 -2.5717758 -2.5354008 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 6 x ${x0} set atom 6 x 2.69106418092681 1 settings made for x set atom $i y ${y0} set atom 6 y ${y0} set atom 6 y 0.920749815214004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 10.7265060384922 variable y0 equal ${yi} variable y0 equal 1.84549867293901 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x 10.7089661558323 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.93912223956651 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1947 -2.9871562 -2.5717758 -2.5354008 1948 -2.9871562 -2.5717758 -2.5599544 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 21 x ${x0} set atom 21 x 10.7265060384922 1 settings made for x set atom $i y ${y0} set atom 21 y ${y0} set atom 21 y 1.84549867293901 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 50 variable x0 equal ${xi} variable x0 equal 4.95269535421668 variable y0 equal ${yi} variable y0 equal 4.50253551358148 set atom $i x ${xnew} set atom 50 x ${xnew} set atom 50 x 4.92473058342277 1 settings made for x set atom $i y ${ynew} set atom 50 y ${ynew} set atom 50 y 4.49656813496515 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1948 -2.9871562 -2.5717758 -2.5599544 1949 -2.9871562 -2.5717758 -2.5705608 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 50 x ${x0} set atom 50 x 4.95269535421668 1 settings made for x set atom $i y ${y0} set atom 50 y ${y0} set atom 50 y 4.50253551358148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 8 variable x0 equal ${xi} variable x0 equal 3.72890197554714 variable y0 equal ${yi} variable y0 equal 1.0604893166903 set atom $i x ${xnew} set atom 8 x ${xnew} set atom 8 x 3.8005339316476 1 settings made for x set atom $i y ${ynew} set atom 8 y ${ynew} set atom 8 y 1.05922982286248 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1949 -2.9871562 -2.5717758 -2.5705608 1950 -2.9871562 -2.5717758 -2.5570702 Loop time of 3.98159e-05 on 1 procs for 1 steps with 100 atoms 2511.6% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 8 x ${x0} set atom 8 x 3.72890197554714 1 settings made for x set atom $i y ${y0} set atom 8 y ${y0} set atom 8 y 1.0604893166903 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.32252682526322 variable y0 equal ${yi} variable y0 equal 7.38917808857226 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.37690175850602 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.31168086853289 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1950 -2.9871562 -2.5717758 -2.5570702 1951 -2.9871562 -2.5717758 -2.5433949 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.32252682526322 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.38917808857226 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 84 variable x0 equal ${xi} variable x0 equal 1.63794375538607 variable y0 equal ${yi} variable y0 equal 8.371298693791 set atom $i x ${xnew} set atom 84 x ${xnew} set atom 84 x 1.69653651594897 1 settings made for x set atom $i y ${ynew} set atom 84 y ${ynew} set atom 84 y 8.37436768926677 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1951 -2.9871562 -2.5717758 -2.5433949 1952 -2.9871562 -2.5717758 -2.5617275 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 84 x ${x0} set atom 84 x 1.63794375538607 1 settings made for x set atom $i y ${y0} set atom 84 y ${y0} set atom 84 y 8.371298693791 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.98550258834353 variable y0 equal ${yi} variable y0 equal 6.47227353588572 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 5.8856642122983 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.54508443609705 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1952 -2.9871562 -2.5717758 -2.5617275 1953 -2.9871562 -2.5717758 -2.5560863 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 72 x ${x0} set atom 72 x 5.98550258834353 1 settings made for x set atom $i y ${y0} set atom 72 y ${y0} set atom 72 y 6.47227353588572 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 10.6911063273601 variable y0 equal ${yi} variable y0 equal 5.45732250158982 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 10.7543597300701 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.47490171139435 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1953 -2.9871562 -2.5717758 -2.5560863 1954 -2.9871562 -2.5717758 -2.5722286 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.57222858969772 variable naccept equal ${increment} variable naccept equal 403 next iter jump SELF loop variable i equal ${irandom} variable i equal 74 variable x0 equal ${xi} variable x0 equal 7.04742242375061 variable y0 equal ${yi} variable y0 equal 6.46128811375131 set atom $i x ${xnew} set atom 74 x ${xnew} set atom 74 x 7.07531779089615 1 settings made for x set atom $i y ${ynew} set atom 74 y ${ynew} set atom 74 y 6.45825262800683 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1954 -2.9871562 -2.5722286 -2.5722286 1955 -2.9871562 -2.5722286 -2.5636125 Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms 2494.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 74 x ${x0} set atom 74 x 7.04742242375061 1 settings made for x set atom $i y ${y0} set atom 74 y ${y0} set atom 74 y 6.46128811375131 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.23979663292276 variable y0 equal ${yi} variable y0 equal 5.5713402385016 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.33372660318719 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.4993976349135 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1955 -2.9871562 -2.5722286 -2.5636125 1956 -2.9871562 -2.5722286 -2.5097372 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.23979663292276 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.5713402385016 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.32252682526322 variable y0 equal ${yi} variable y0 equal 7.38917808857226 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.36328680594178 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.33191160288119 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1956 -2.9871562 -2.5722286 -2.5097372 1957 -2.9871562 -2.5722286 -2.5552272 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.32252682526322 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.38917808857226 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.1789412740728 variable y0 equal ${yi} variable y0 equal 2.78276804658273 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.1364771608373 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.68542534085611 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1957 -2.9871562 -2.5722286 -2.5552272 1958 -2.9871562 -2.5722286 -2.5714792 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.1789412740728 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.78276804658273 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.74727117021515 variable y0 equal ${yi} variable y0 equal 6.50648560062877 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.702415599422 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.48205155865184 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1958 -2.9871562 -2.5722286 -2.5714792 1959 -2.9871562 -2.5722286 -2.5693085 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 66 x ${x0} set atom 66 x 2.74727117021515 1 settings made for x set atom $i y ${y0} set atom 66 y ${y0} set atom 66 y 6.50648560062877 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.56329734165441 variable y0 equal ${yi} variable y0 equal 3.72885418696535 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.52396155435811 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.76348131461275 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1959 -2.9871562 -2.5722286 -2.5693085 1960 -2.9871562 -2.5722286 -2.5734614 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.57346135097827 variable naccept equal ${increment} variable naccept equal 404 next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.64328949609225 variable y0 equal ${yi} variable y0 equal 7.40728055563236 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.64263702788775 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.3287924083736 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1960 -2.9871562 -2.5734614 -2.5734614 1961 -2.9871562 -2.5734614 -2.5123408 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 97 x ${x0} set atom 97 x 8.64328949609225 1 settings made for x set atom $i y ${y0} set atom 97 y ${y0} set atom 97 y 7.40728055563236 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.16288858372719 variable y0 equal ${yi} variable y0 equal 4.74496568793221 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.17456935364754 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.78264694565697 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1961 -2.9871562 -2.5734614 -2.5123408 1962 -2.9871562 -2.5734614 -2.5648797 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 58 x ${x0} set atom 58 x 9.16288858372719 1 settings made for x set atom $i y ${y0} set atom 58 y ${y0} set atom 58 y 4.74496568793221 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.98549635687515 variable y0 equal ${yi} variable y0 equal 2.82734158011773 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 6.91414935866043 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.81629132005074 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1962 -2.9871562 -2.5734614 -2.5648797 1963 -2.9871562 -2.5734614 -2.5699886 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.98549635687515 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.82734158011773 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 73 variable x0 equal ${xi} variable x0 equal 6.49922751902657 variable y0 equal ${yi} variable y0 equal 5.52039463465411 set atom $i x ${xnew} set atom 73 x ${xnew} set atom 73 x 6.41148005246239 1 settings made for x set atom $i y ${ynew} set atom 73 y ${ynew} set atom 73 y 5.50233039801318 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1963 -2.9871562 -2.5734614 -2.5699886 1964 -2.9871562 -2.5734614 -2.5484956 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 73 x ${x0} set atom 73 x 6.49922751902657 1 settings made for x set atom $i y ${y0} set atom 73 y ${y0} set atom 73 y 5.52039463465411 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.57771970509168 variable y0 equal ${yi} variable y0 equal 0.0528771042823788 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.48698404310819 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.150077152252197 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1964 -2.9871562 -2.5734614 -2.5484956 1965 -2.9871562 -2.5734614 -2.5242166 Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.57771970509168 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.0528771042823788 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.22492432355444 variable y0 equal ${yi} variable y0 equal 0.0240613460540867 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.30576154946844 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y 0.00298287868500711 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1965 -2.9871562 -2.5734614 -2.5242166 1966 -2.9871562 -2.5734614 -2.5439223 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 7 x ${x0} set atom 7 x 3.22492432355444 1 settings made for x set atom $i y ${y0} set atom 7 y ${y0} set atom 7 y 0.0240613460540867 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.54407576480333 variable y0 equal ${yi} variable y0 equal 3.66106940074097 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.54984512486879 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.69442252679001 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1966 -2.9871562 -2.5734614 -2.5439223 1967 -2.9871562 -2.5734614 -2.5740126 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.57401256121829 variable naccept equal ${increment} variable naccept equal 405 next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 6.99553199091598 variable y0 equal ${yi} variable y0 equal 8.37164120592174 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 7.00128597298309 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.32857953228054 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1967 -2.9871562 -2.5740126 -2.5740126 1968 -2.9871562 -2.5740126 -2.5654678 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 6.99553199091598 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.37164120592174 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.82160441517171 variable y0 equal ${yi} variable y0 equal 8.38617150701579 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.8860306107932 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.40910637296733 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1968 -2.9871562 -2.5740126 -2.5654678 1969 -2.9871562 -2.5740126 -2.5580096 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.82160441517171 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.38617150701579 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.50235789218808 variable y0 equal ${yi} variable y0 equal 3.73372400565278 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.45314650932217 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.76734987063538 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1969 -2.9871562 -2.5740126 -2.5580096 1970 -2.9871562 -2.5740126 -2.5214694 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 51 x ${x0} set atom 51 x 5.50235789218808 1 settings made for x set atom $i y ${y0} set atom 51 y ${y0} set atom 51 y 3.73372400565278 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.95025718807079 variable y0 equal ${yi} variable y0 equal 0.949378951299518 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.91901684402324 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 0.981152673471301 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1970 -2.9871562 -2.5740126 -2.5214694 1971 -2.9871562 -2.5740126 -2.5665001 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.95025718807079 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.949378951299518 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 17 variable x0 equal ${xi} variable x0 equal 8.49737423816149 variable y0 equal ${yi} variable y0 equal 9.2278668593201 set atom $i x ${xnew} set atom 17 x ${xnew} set atom 17 x 8.58549976506655 1 settings made for x set atom $i y ${ynew} set atom 17 y ${ynew} set atom 17 y 9.26701759803623 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1971 -2.9871562 -2.5740126 -2.5665001 1972 -2.9871562 -2.5740126 -2.5692639 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 17 x ${x0} set atom 17 x 8.49737423816149 1 settings made for x set atom $i y ${y0} set atom 17 y ${y0} set atom 17 y 9.2278668593201 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.98599239308387 variable y0 equal ${yi} variable y0 equal 0.925951715219346 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 9.06144708115608 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 0.840570982206193 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1972 -2.9871562 -2.5740126 -2.5692639 1973 -2.9871562 -2.5740126 -2.5551058 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 8.98599239308387 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.925951715219346 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.98550258834353 variable y0 equal ${yi} variable y0 equal 6.47227353588572 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 5.89399642903796 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.47747914329997 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1973 -2.9871562 -2.5740126 -2.5551058 1974 -2.9871562 -2.5740126 -2.5639724 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 72 x ${x0} set atom 72 x 5.98550258834353 1 settings made for x set atom $i y ${y0} set atom 72 y ${y0} set atom 72 y 6.47227353588572 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.41745940843489 variable y0 equal ${yi} variable y0 equal 5.54884942715364 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.32854479947951 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.62407112066942 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1974 -2.9871562 -2.5740126 -2.5639724 1975 -2.9871562 -2.5740126 -2.5265061 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.41745940843489 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.54884942715364 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 8 variable x0 equal ${xi} variable x0 equal 3.72890197554714 variable y0 equal ${yi} variable y0 equal 1.0604893166903 set atom $i x ${xnew} set atom 8 x ${xnew} set atom 8 x 3.65925550976879 1 settings made for x set atom $i y ${ynew} set atom 8 y ${ynew} set atom 8 y 1.0311502416018 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1975 -2.9871562 -2.5740126 -2.5265061 1976 -2.9871562 -2.5740126 -2.5644108 Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 8 x ${x0} set atom 8 x 3.72890197554714 1 settings made for x set atom $i y ${y0} set atom 8 y ${y0} set atom 8 y 1.0604893166903 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.57771970509168 variable y0 equal ${yi} variable y0 equal 0.0528771042823788 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.48586290358182 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.0104185700416561 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1976 -2.9871562 -2.5740126 -2.5644108 1977 -2.9871562 -2.5740126 -2.562142 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.57771970509168 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.0528771042823788 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.98599239308387 variable y0 equal ${yi} variable y0 equal 0.925951715219346 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 8.97836360652 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 0.831859238851396 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1977 -2.9871562 -2.5740126 -2.562142 1978 -2.9871562 -2.5740126 -2.5679116 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 8.98599239308387 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.925951715219346 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.89080204048797 variable y0 equal ${yi} variable y0 equal 0.962413962591011 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.88060106316253 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 0.960105260122139 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1978 -2.9871562 -2.5740126 -2.5679116 1979 -2.9871562 -2.5740126 -2.5740354 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.57403537505697 variable naccept equal ${increment} variable naccept equal 406 next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.15111655909569 variable y0 equal ${yi} variable y0 equal 6.52915453449718 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 9.09492871481926 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.61493354574672 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1979 -2.9871562 -2.5740354 -2.5740354 1980 -2.9871562 -2.5740354 -2.5067112 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 78 x ${x0} set atom 78 x 9.15111655909569 1 settings made for x set atom $i y ${y0} set atom 78 y ${y0} set atom 78 y 6.52915453449718 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.80759401837473 variable y0 equal ${yi} variable y0 equal 4.6440585290806 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.72896017352228 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.62374215477869 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1980 -2.9871562 -2.5740354 -2.5067112 1981 -2.9871562 -2.5740354 -2.5579831 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.80759401837473 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.6440585290806 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.95025718807079 variable y0 equal ${yi} variable y0 equal 0.949378951299518 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.93462324737407 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 1.00154295753273 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1981 -2.9871562 -2.5740354 -2.5579831 1982 -2.9871562 -2.5740354 -2.5575038 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.95025718807079 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.949378951299518 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.07584694067344 variable y0 equal ${yi} variable y0 equal 0.00976005792616981 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 2.13902074734077 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y -0.0116058111190878 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1982 -2.9871562 -2.5740354 -2.5575038 1983 -2.9871562 -2.5740354 -2.5790971 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.5790970789814 variable naccept equal ${increment} variable naccept equal 407 next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 6.99553199091598 variable y0 equal ${yi} variable y0 equal 8.37164120592174 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 7.05228224077865 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.28211905874309 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1983 -2.9871562 -2.5790971 -2.5790971 1984 -2.9871562 -2.5790971 -2.5374293 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 6.99553199091598 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.37164120592174 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.82160441517171 variable y0 equal ${yi} variable y0 equal 8.38617150701579 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.7241444194251 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.29084740795192 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1984 -2.9871562 -2.5790971 -2.5374293 1985 -2.9871562 -2.5790971 -2.5380909 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.82160441517171 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.38617150701579 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 12 variable x0 equal ${xi} variable x0 equal 5.84254707057468 variable y0 equal ${yi} variable y0 equal 0.912364717233509 set atom $i x ${xnew} set atom 12 x ${xnew} set atom 12 x 5.91439069468967 1 settings made for x set atom $i y ${ynew} set atom 12 y ${ynew} set atom 12 y 0.869653828847736 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1985 -2.9871562 -2.5790971 -2.5380909 1986 -2.9871562 -2.5790971 -2.5558051 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 12 x ${x0} set atom 12 x 5.84254707057468 1 settings made for x set atom $i y ${y0} set atom 12 y ${y0} set atom 12 y 0.912364717233509 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.40156468867379 variable y0 equal ${yi} variable y0 equal 0.00304889678955437 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.30236203192788 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y -0.0227411985397303 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1986 -2.9871562 -2.5790971 -2.5558051 1987 -2.9871562 -2.5790971 -2.5601014 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.40156468867379 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 0.00304889678955437 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 73 variable x0 equal ${xi} variable x0 equal 6.49922751902657 variable y0 equal ${yi} variable y0 equal 5.52039463465411 set atom $i x ${xnew} set atom 73 x ${xnew} set atom 73 x 6.59019989489632 1 settings made for x set atom $i y ${ynew} set atom 73 y ${ynew} set atom 73 y 5.50582431500155 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1987 -2.9871562 -2.5790971 -2.5601014 1988 -2.9871562 -2.5790971 -2.5344695 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 73 x ${x0} set atom 73 x 6.49922751902657 1 settings made for x set atom $i y ${y0} set atom 73 y ${y0} set atom 73 y 5.52039463465411 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.24420675992527 variable y0 equal ${yi} variable y0 equal 3.73567457957399 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.19798654078999 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.73931271596086 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1988 -2.9871562 -2.5790971 -2.5344695 1989 -2.9871562 -2.5790971 -2.5708696 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.24420675992527 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.73567457957399 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.26957070906373 variable y0 equal ${yi} variable y0 equal 1.93462480685777 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.35125572760316 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.88125099322862 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1989 -2.9871562 -2.5790971 -2.5708696 1990 -2.9871562 -2.5790971 -2.5622573 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.26957070906373 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.93462480685777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 63 variable x0 equal ${xi} variable x0 equal 1.04039912541561 variable y0 equal ${yi} variable y0 equal 5.56148483698564 set atom $i x ${xnew} set atom 63 x ${xnew} set atom 63 x 1.09178573210888 1 settings made for x set atom $i y ${ynew} set atom 63 y ${ynew} set atom 63 y 5.57776011173921 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1990 -2.9871562 -2.5790971 -2.5622573 1991 -2.9871562 -2.5790971 -2.5819629 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.58196286473747 variable naccept equal ${increment} variable naccept equal 408 next iter jump SELF loop variable i equal ${irandom} variable i equal 17 variable x0 equal ${xi} variable x0 equal 8.49737423816149 variable y0 equal ${yi} variable y0 equal 9.2278668593201 set atom $i x ${xnew} set atom 17 x ${xnew} set atom 17 x 8.45989461102907 1 settings made for x set atom $i y ${ynew} set atom 17 y ${ynew} set atom 17 y 9.16611603010028 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1991 -2.9871562 -2.5819629 -2.5819629 1992 -2.9871562 -2.5819629 -2.5452409 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 17 x ${x0} set atom 17 x 8.49737423816149 1 settings made for x set atom $i y ${y0} set atom 17 y ${y0} set atom 17 y 9.2278668593201 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.1789412740728 variable y0 equal ${yi} variable y0 equal 2.78276804658273 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.1358978871366 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.84498817893365 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1992 -2.9871562 -2.5819629 -2.5452409 1993 -2.9871562 -2.5819629 -2.568753 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.1789412740728 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.78276804658273 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 10.7265060384922 variable y0 equal ${yi} variable y0 equal 1.84549867293901 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x 10.7038982113056 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.89456078193254 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1993 -2.9871562 -2.5819629 -2.568753 1994 -2.9871562 -2.5819629 -2.5805362 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 21 x ${x0} set atom 21 x 10.7265060384922 1 settings made for x set atom $i y ${y0} set atom 21 y ${y0} set atom 21 y 1.84549867293901 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 38 variable x0 equal ${xi} variable x0 equal 9.09958864171057 variable y0 equal ${yi} variable y0 equal 2.75573046180108 set atom $i x ${xnew} set atom 38 x ${xnew} set atom 38 x 9.01154702622443 1 settings made for x set atom $i y ${ynew} set atom 38 y ${ynew} set atom 38 y 2.77833372327187 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1994 -2.9871562 -2.5819629 -2.5805362 1995 -2.9871562 -2.5819629 -2.5715742 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 38 x ${x0} set atom 38 x 9.09958864171057 1 settings made for x set atom $i y ${y0} set atom 38 y ${y0} set atom 38 y 2.75573046180108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.15111655909569 variable y0 equal ${yi} variable y0 equal 6.52915453449718 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 9.17207472044976 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.59541620747081 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1995 -2.9871562 -2.5819629 -2.5715742 1996 -2.9871562 -2.5819629 -2.5603425 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 78 x ${x0} set atom 78 x 9.15111655909569 1 settings made for x set atom $i y ${y0} set atom 78 y ${y0} set atom 78 y 6.52915453449718 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.10495061277249 variable y0 equal ${yi} variable y0 equal 4.66507560366557 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.03687114118435 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.75526603812144 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1996 -2.9871562 -2.5819629 -2.5603425 1997 -2.9871562 -2.5819629 -2.5708525 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 56 x ${x0} set atom 56 x 8.10495061277249 1 settings made for x set atom $i y ${y0} set atom 56 y ${y0} set atom 56 y 4.66507560366557 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.84459139942466 variable y0 equal ${yi} variable y0 equal 2.8530292389045 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 4.87783981203376 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.82051414224007 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1997 -2.9871562 -2.5819629 -2.5708525 1998 -2.9871562 -2.5819629 -2.5859686 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.58596862967669 variable naccept equal ${increment} variable naccept equal 409 next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.57771970509168 variable y0 equal ${yi} variable y0 equal 0.0528771042823788 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.66661699293729 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.0606420755386349 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1998 -2.9871562 -2.5859686 -2.5859686 1999 -2.9871562 -2.5859686 -2.5449026 Loop time of 7.9155e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.57771970509168 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.0528771042823788 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.98599239308387 variable y0 equal ${yi} variable y0 equal 0.925951715219346 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 8.96866728980094 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 0.953124268758622 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 1999 -2.9871562 -2.5859686 -2.5449026 2000 -2.9871562 -2.5859686 -2.5759732 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 8.98599239308387 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.925951715219346 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.46753388483297 variable y0 equal ${yi} variable y0 equal 0.0335806965827942 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.41769959766637 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y -0.00113596916198729 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2000 -2.9871562 -2.5859686 -2.5759732 2001 -2.9871562 -2.5859686 -2.5828968 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.46753388483297 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.0335806965827942 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.59829139590045 variable y0 equal ${yi} variable y0 equal 2.77385951253275 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.68121445059558 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.71971592875818 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2001 -2.9871562 -2.5859686 -2.5828968 2002 -2.9871562 -2.5859686 -2.5629621 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 24 x ${x0} set atom 24 x 1.59829139590045 1 settings made for x set atom $i y ${y0} set atom 24 y ${y0} set atom 24 y 2.77385951253275 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 49 variable x0 equal ${xi} variable x0 equal 4.37311956961365 variable y0 equal ${yi} variable y0 equal 3.73546738190782 set atom $i x ${xnew} set atom 49 x ${xnew} set atom 49 x 4.28048653681488 1 settings made for x set atom $i y ${ynew} set atom 49 y ${ynew} set atom 49 y 3.69583767218721 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2002 -2.9871562 -2.5859686 -2.5629621 2003 -2.9871562 -2.5859686 -2.5798144 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 49 x ${x0} set atom 49 x 4.37311956961365 1 settings made for x set atom $i y ${y0} set atom 49 y ${y0} set atom 49 y 3.73546738190782 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.58555344500963 variable y0 equal ${yi} variable y0 equal 5.67622888033586 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.56329378047411 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.72029722874361 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2003 -2.9871562 -2.5859686 -2.5798144 2004 -2.9871562 -2.5859686 -2.5611561 Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms 2496.6% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.58555344500963 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.67622888033586 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.82160441517171 variable y0 equal ${yi} variable y0 equal 8.38617150701579 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.85207965015706 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.33472195781764 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2004 -2.9871562 -2.5859686 -2.5611561 2005 -2.9871562 -2.5859686 -2.5832376 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.82160441517171 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.38617150701579 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.31596373716261 variable y0 equal ${yi} variable y0 equal 1.83819601914949 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.33333326974775 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.89668469808168 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2005 -2.9871562 -2.5859686 -2.5832376 2006 -2.9871562 -2.5859686 -2.5796914 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 31 x ${x0} set atom 31 x 5.31596373716261 1 settings made for x set atom $i y ${y0} set atom 31 y ${y0} set atom 31 y 1.83819601914949 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.15410325844937 variable y0 equal ${yi} variable y0 equal 3.75003771348131 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 1.11356125195676 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.71681254668367 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2006 -2.9871562 -2.5859686 -2.5796914 2007 -2.9871562 -2.5859686 -2.5929069 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.59290685414525 variable naccept equal ${increment} variable naccept equal 410 next iter jump SELF loop variable i equal ${irandom} variable i equal 36 variable x0 equal ${xi} variable x0 equal 8.01815503238536 variable y0 equal ${yi} variable y0 equal 2.72729808064798 set atom $i x ${xnew} set atom 36 x ${xnew} set atom 36 x 7.95727713703014 1 settings made for x set atom $i y ${ynew} set atom 36 y ${ynew} set atom 36 y 2.7323107120643 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2007 -2.9871562 -2.5929069 -2.5929069 2008 -2.9871562 -2.5929069 -2.5814741 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 36 x ${x0} set atom 36 x 8.01815503238536 1 settings made for x set atom $i y ${y0} set atom 36 y ${y0} set atom 36 y 2.72729808064798 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.2670067469206 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y 0.0298995852470373 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2008 -2.9871562 -2.5929069 -2.5814741 2009 -2.9871562 -2.5929069 -2.5853411 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.20556546488 variable y0 equal ${yi} variable y0 equal 0.955296619642108 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.3055400494595 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.921045525777667 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2009 -2.9871562 -2.5929069 -2.5853411 2010 -2.9871562 -2.5929069 -2.5566463 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 20 x ${x0} set atom 20 x 10.20556546488 1 settings made for x set atom $i y ${y0} set atom 20 y ${y0} set atom 20 y 0.955296619642108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.98549635687515 variable y0 equal ${yi} variable y0 equal 2.82734158011773 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 6.88832958021805 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.75932477685311 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2010 -2.9871562 -2.5929069 -2.5566463 2011 -2.9871562 -2.5929069 -2.5763617 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.98549635687515 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.82734158011773 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.22980598607923 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y 0.0642213702201818 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2011 -2.9871562 -2.5929069 -2.5763617 2012 -2.9871562 -2.5929069 -2.5646869 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.23719702163602 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y 0.0140643119811987 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2012 -2.9871562 -2.5929069 -2.5646869 2013 -2.9871562 -2.5929069 -2.5774313 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.46753388483297 variable y0 equal ${yi} variable y0 equal 0.0335806965827942 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.48090319473516 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y -0.0559932589530945 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2013 -2.9871562 -2.5929069 -2.5774313 2014 -2.9871562 -2.5929069 -2.5862543 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.46753388483297 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.0335806965827942 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.16921079794274 variable y0 equal ${yi} variable y0 equal 1.86157575032777 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.17772015968667 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.85502150437898 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2014 -2.9871562 -2.5929069 -2.5862543 2015 -2.9871562 -2.5929069 -2.5915987 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.16921079794274 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.86157575032777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 87 variable x0 equal ${xi} variable x0 equal 3.20964491128483 variable y0 equal ${yi} variable y0 equal 7.4096286090877 set atom $i x ${xnew} set atom 87 x ${xnew} set atom 87 x 3.19551454543629 1 settings made for x set atom $i y ${ynew} set atom 87 y ${ynew} set atom 87 y 7.48392205562853 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2015 -2.9871562 -2.5929069 -2.5915987 2016 -2.9871562 -2.5929069 -2.5847651 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 87 x ${x0} set atom 87 x 3.20964491128483 1 settings made for x set atom $i y ${y0} set atom 87 y ${y0} set atom 87 y 7.4096286090877 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.50094277142164 variable y0 equal ${yi} variable y0 equal 1.79520596644944 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.59002644299146 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.88995120904511 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2016 -2.9871562 -2.5929069 -2.5847651 2017 -2.9871562 -2.5929069 -2.5966258 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.59662578777986 variable naccept equal ${increment} variable naccept equal 411 next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.52396155435811 variable y0 equal ${yi} variable y0 equal 3.76348131461275 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.49972879726659 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.72246214909685 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2017 -2.9871562 -2.5966258 -2.5966258 2018 -2.9871562 -2.5966258 -2.5923702 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 55 x ${x0} set atom 55 x 7.52396155435811 1 settings made for x set atom $i y ${y0} set atom 55 y ${y0} set atom 55 y 3.76348131461275 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.24420675992527 variable y0 equal ${yi} variable y0 equal 3.73567457957399 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.16994367599049 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.81792937083376 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2018 -2.9871562 -2.5966258 -2.5923702 2019 -2.9871562 -2.5966258 -2.5612915 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.24420675992527 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.73567457957399 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.68984863638659 variable y0 equal ${yi} variable y0 equal 6.46641751066677 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.65781292795916 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.5345910145425 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2019 -2.9871562 -2.5966258 -2.5612915 2020 -2.9871562 -2.5966258 -2.5917647 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.68984863638659 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.46641751066677 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 23 variable x0 equal ${xi} variable x0 equal 1.07343188841992 variable y0 equal ${yi} variable y0 equal 1.85961672446793 set atom $i x ${xnew} set atom 23 x ${xnew} set atom 23 x 1.14681148846799 1 settings made for x set atom $i y ${ynew} set atom 23 y ${ynew} set atom 23 y 1.93567071340149 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2020 -2.9871562 -2.5966258 -2.5917647 2021 -2.9871562 -2.5966258 -2.5629957 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 23 x ${x0} set atom 23 x 1.07343188841992 1 settings made for x set atom $i y ${y0} set atom 23 y ${y0} set atom 23 y 1.85961672446793 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 9 variable x0 equal ${xi} variable x0 equal 4.24272296507568 variable y0 equal ${yi} variable y0 equal 0.0256201386451842 set atom $i x ${xnew} set atom 9 x ${xnew} set atom 9 x 4.30640978892059 1 settings made for x set atom $i y ${ynew} set atom 9 y ${ynew} set atom 9 y 0.081650197505963 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2021 -2.9871562 -2.5966258 -2.5629957 2022 -2.9871562 -2.5966258 -2.5771068 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 9 x ${x0} set atom 9 x 4.24272296507568 1 settings made for x set atom $i y ${y0} set atom 9 y ${y0} set atom 9 y 0.0256201386451842 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.88060106316253 variable y0 equal ${yi} variable y0 equal 0.960105260122139 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.78152232447311 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 1.04020741771491 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2022 -2.9871562 -2.5966258 -2.5771068 2023 -2.9871562 -2.5966258 -2.5538386 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.88060106316253 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 0.960105260122139 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.20556546488 variable y0 equal ${yi} variable y0 equal 0.955296619642108 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.1995826128979 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.864627094972461 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2023 -2.9871562 -2.5966258 -2.5538386 2024 -2.9871562 -2.5966258 -2.5778077 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 20 x ${x0} set atom 20 x 10.20556546488 1 settings made for x set atom $i y ${y0} set atom 20 y ${y0} set atom 20 y 0.955296619642108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 9 variable x0 equal ${xi} variable x0 equal 4.24272296507568 variable y0 equal ${yi} variable y0 equal 0.0256201386451842 set atom $i x ${xnew} set atom 9 x ${xnew} set atom 9 x 4.15353182633133 1 settings made for x set atom $i y ${ynew} set atom 9 y ${ynew} set atom 9 y 0.0912428975105406 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2024 -2.9871562 -2.5966258 -2.5778077 2025 -2.9871562 -2.5966258 -2.5579148 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 9 x ${x0} set atom 9 x 4.24272296507568 1 settings made for x set atom $i y ${y0} set atom 9 y ${y0} set atom 9 y 0.0256201386451842 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.23979663292276 variable y0 equal ${yi} variable y0 equal 5.5713402385016 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.26144794861185 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.6698718542357 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2025 -2.9871562 -2.5966258 -2.5579148 2026 -2.9871562 -2.5966258 -2.5673717 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.23979663292276 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.5713402385016 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.58555344500963 variable y0 equal ${yi} variable y0 equal 5.67622888033586 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.56743538537447 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.72120881025987 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2026 -2.9871562 -2.5966258 -2.5673717 2027 -2.9871562 -2.5966258 -2.5721286 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.58555344500963 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.67622888033586 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.545649071136379 variable y0 equal ${yi} variable y0 equal 2.77431966039041 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.473578496375942 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.72084513875345 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2027 -2.9871562 -2.5966258 -2.5721286 2028 -2.9871562 -2.5966258 -2.5866938 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.545649071136379 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.77431966039041 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 10.7265060384922 variable y0 equal ${yi} variable y0 equal 1.84549867293901 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x 10.7856441338711 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.79936591765947 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2028 -2.9871562 -2.5966258 -2.5866938 2029 -2.9871562 -2.5966258 -2.5868526 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 21 x ${x0} set atom 21 x 10.7265060384922 1 settings made for x set atom $i y ${y0} set atom 21 y ${y0} set atom 21 y 1.84549867293901 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 86 variable x0 equal ${xi} variable x0 equal 2.71264111001922 variable y0 equal ${yi} variable y0 equal 8.37165092147884 set atom $i x ${xnew} set atom 86 x ${xnew} set atom 86 x 2.66961978872253 1 settings made for x set atom $i y ${ynew} set atom 86 y ${ynew} set atom 86 y 8.44000028289852 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2029 -2.9871562 -2.5966258 -2.5868526 2030 -2.9871562 -2.5966258 -2.5853489 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 86 x ${x0} set atom 86 x 2.71264111001922 1 settings made for x set atom $i y ${y0} set atom 86 y ${y0} set atom 86 y 8.37165092147884 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.76033777196836 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.77299931401178 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2030 -2.9871562 -2.5966258 -2.5853489 2031 -2.9871562 -2.5966258 -2.5674374 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.41745940843489 variable y0 equal ${yi} variable y0 equal 5.54884942715364 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.49992160001662 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.47192105000215 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2031 -2.9871562 -2.5966258 -2.5674374 2032 -2.9871562 -2.5966258 -2.5373526 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.41745940843489 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.54884942715364 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 84 variable x0 equal ${xi} variable x0 equal 1.63794375538607 variable y0 equal ${yi} variable y0 equal 8.371298693791 set atom $i x ${xnew} set atom 84 x ${xnew} set atom 84 x 1.70515512108584 1 settings made for x set atom $i y ${ynew} set atom 84 y ${ynew} set atom 84 y 8.29120017208156 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2032 -2.9871562 -2.5966258 -2.5373526 2033 -2.9871562 -2.5966258 -2.5718895 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 84 x ${x0} set atom 84 x 1.63794375538607 1 settings made for x set atom $i y ${y0} set atom 84 y ${y0} set atom 84 y 8.371298693791 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.80759401837473 variable y0 equal ${yi} variable y0 equal 4.6440585290806 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.88912189522867 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.63716442936823 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2033 -2.9871562 -2.5966258 -2.5718895 2034 -2.9871562 -2.5966258 -2.5893858 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.80759401837473 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.6440585290806 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.19388546387063 variable y0 equal ${yi} variable y0 equal 3.77270575328004 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.2513618771206 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.79912212653291 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2034 -2.9871562 -2.5966258 -2.5893858 2035 -2.9871562 -2.5966258 -2.5807711 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.19388546387063 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.77270575328004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.68984863638659 variable y0 equal ${yi} variable y0 equal 6.46641751066677 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.6807752120473 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.46438195244305 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2035 -2.9871562 -2.5966258 -2.5807711 2036 -2.9871562 -2.5966258 -2.5960703 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.68984863638659 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.46641751066677 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 93 variable x0 equal ${xi} variable x0 equal 6.45546932934839 variable y0 equal ${yi} variable y0 equal 7.46753717985414 set atom $i x ${xnew} set atom 93 x ${xnew} set atom 93 x 6.38152149437982 1 settings made for x set atom $i y ${ynew} set atom 93 y ${ynew} set atom 93 y 7.50004391994737 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2036 -2.9871562 -2.5966258 -2.5960703 2037 -2.9871562 -2.5966258 -2.5870384 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 93 x ${x0} set atom 93 x 6.45546932934839 1 settings made for x set atom $i y ${y0} set atom 93 y ${y0} set atom 93 y 7.46753717985414 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.16288858372719 variable y0 equal ${yi} variable y0 equal 4.74496568793221 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.20867232996971 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.65355754250451 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2037 -2.9871562 -2.5966258 -2.5870384 2038 -2.9871562 -2.5966258 -2.5693931 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 58 x ${x0} set atom 58 x 9.16288858372719 1 settings made for x set atom $i y ${y0} set atom 58 y ${y0} set atom 58 y 4.74496568793221 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.54554458140013 variable y0 equal ${yi} variable y0 equal 3.70140816731585 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.46615565298674 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.72983705563677 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2038 -2.9871562 -2.5966258 -2.5693931 2039 -2.9871562 -2.5966258 -2.5488085 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 59 x ${x0} set atom 59 x 9.54554458140013 1 settings made for x set atom $i y ${y0} set atom 59 y ${y0} set atom 59 y 3.70140816731585 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.131702781107 variable y0 equal ${yi} variable y0 equal 8.31063791431484 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.2123769644757 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.36594400323925 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2039 -2.9871562 -2.5966258 -2.5488085 2040 -2.9871562 -2.5966258 -2.5874357 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 100 x ${x0} set atom 100 x 10.131702781107 1 settings made for x set atom $i y ${y0} set atom 100 y ${y0} set atom 100 y 8.31063791431484 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.15111655909569 variable y0 equal ${yi} variable y0 equal 6.52915453449718 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 9.23970435578377 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.47020015255443 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2040 -2.9871562 -2.5966258 -2.5874357 2041 -2.9871562 -2.5966258 -2.5626655 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 78 x ${x0} set atom 78 x 9.15111655909569 1 settings made for x set atom $i y ${y0} set atom 78 y ${y0} set atom 78 y 6.52915453449718 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.54554458140013 variable y0 equal ${yi} variable y0 equal 3.70140816731585 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.46269917963621 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.79119102521075 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2041 -2.9871562 -2.5966258 -2.5626655 2042 -2.9871562 -2.5966258 -2.5404003 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 59 x ${x0} set atom 59 x 9.54554458140013 1 settings made for x set atom $i y ${y0} set atom 59 y ${y0} set atom 59 y 3.70140816731585 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.59002644299146 variable y0 equal ${yi} variable y0 equal 1.88995120904511 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.66306260107633 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.91874177835053 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2042 -2.9871562 -2.5966258 -2.5404003 2043 -2.9871562 -2.5966258 -2.5886537 Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 39 x ${x0} set atom 39 x 9.59002644299146 1 settings made for x set atom $i y ${y0} set atom 39 y ${y0} set atom 39 y 1.88995120904511 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 0.00866041183467914 variable y0 equal ${yi} variable y0 equal 5.47490171139435 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 0.0419932842254262 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.37745596115784 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2043 -2.9871562 -2.5966258 -2.5886537 2044 -2.9871562 -2.5966258 -2.5332648 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 61 x ${x0} set atom 61 x 0.00866041183467914 1 settings made for x set atom $i y ${y0} set atom 61 y ${y0} set atom 61 y 5.47490171139435 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 23 variable x0 equal ${xi} variable x0 equal 1.07343188841992 variable y0 equal ${yi} variable y0 equal 1.85961672446793 set atom $i x ${xnew} set atom 23 x ${xnew} set atom 23 x 1.13276222069913 1 settings made for x set atom $i y ${ynew} set atom 23 y ${ynew} set atom 23 y 1.89744723222321 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2044 -2.9871562 -2.5966258 -2.5332648 2045 -2.9871562 -2.5966258 -2.5832797 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 23 x ${x0} set atom 23 x 1.07343188841992 1 settings made for x set atom $i y ${y0} set atom 23 y ${y0} set atom 23 y 1.85961672446793 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.74727117021515 variable y0 equal ${yi} variable y0 equal 6.50648560062877 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.81185597379639 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.57987828985683 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2045 -2.9871562 -2.5966258 -2.5832797 2046 -2.9871562 -2.5966258 -2.5453422 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 66 x ${x0} set atom 66 x 2.74727117021515 1 settings made for x set atom $i y ${y0} set atom 66 y ${y0} set atom 66 y 6.50648560062877 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.05432130693294 variable y0 equal ${yi} variable y0 equal 8.31604041971262 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.09393166898586 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.31682675994928 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2046 -2.9871562 -2.5966258 -2.5453422 2047 -2.9871562 -2.5966258 -2.5891096 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.05432130693294 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.31604041971262 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.59002644299146 variable y0 equal ${yi} variable y0 equal 1.88995120904511 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.52363400934812 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.98875689885682 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2047 -2.9871562 -2.5966258 -2.5891096 2048 -2.9871562 -2.5966258 -2.483854 Loop time of 8.4877e-05 on 1 procs for 1 steps with 100 atoms 1178.2% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 39 x ${x0} set atom 39 x 9.59002644299146 1 settings made for x set atom $i y ${y0} set atom 39 y ${y0} set atom 39 y 1.88995120904511 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.16288858372719 variable y0 equal ${yi} variable y0 equal 4.74496568793221 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.08311106879265 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.71763598078652 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2048 -2.9871562 -2.5966258 -2.483854 2049 -2.9871562 -2.5966258 -2.5958427 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 58 x ${x0} set atom 58 x 9.16288858372719 1 settings made for x set atom $i y ${y0} set atom 58 y ${y0} set atom 58 y 4.74496568793221 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.88503422696582 variable y0 equal ${yi} variable y0 equal 2.77079973193505 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.92159051854602 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.79073218079903 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2049 -2.9871562 -2.5966258 -2.5958427 2050 -2.9871562 -2.5966258 -2.6010748 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.60107481551554 variable naccept equal ${increment} variable naccept equal 412 next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.16288858372719 variable y0 equal ${yi} variable y0 equal 4.74496568793221 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.24232537467033 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.80962332838936 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2050 -2.9871562 -2.6010748 -2.6010748 2051 -2.9871562 -2.6010748 -2.5408557 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 58 x ${x0} set atom 58 x 9.16288858372719 1 settings made for x set atom $i y ${y0} set atom 58 y ${y0} set atom 58 y 4.74496568793221 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.59001860499163 variable y0 equal ${yi} variable y0 equal 4.68076303357049 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.6725699889638 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.75511048191949 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2051 -2.9871562 -2.6010748 -2.5408557 2052 -2.9871562 -2.6010748 -2.5857309 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.59001860499163 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.68076303357049 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 41 variable x0 equal ${xi} variable x0 equal 10.7038741310291 variable y0 equal ${yi} variable y0 equal 3.65389419360293 set atom $i x ${xnew} set atom 41 x ${xnew} set atom 41 x 10.6068031986408 1 settings made for x set atom $i y ${ynew} set atom 41 y ${ynew} set atom 41 y 3.56834047598971 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2052 -2.9871562 -2.6010748 -2.5857309 2053 -2.9871562 -2.6010748 -2.5200465 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 41 x ${x0} set atom 41 x 10.7038741310291 1 settings made for x set atom $i y ${y0} set atom 41 y ${y0} set atom 41 y 3.65389419360293 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.54554458140013 variable y0 equal ${yi} variable y0 equal 3.70140816731585 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.4586048173773 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.62496209902895 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2053 -2.9871562 -2.6010748 -2.5200465 2054 -2.9871562 -2.6010748 -2.5168975 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 59 x ${x0} set atom 59 x 9.54554458140013 1 settings made for x set atom $i y ${y0} set atom 59 y ${y0} set atom 59 y 3.70140816731585 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 81 variable x0 equal ${xi} variable x0 equal 0.0322040319442937 variable y0 equal ${yi} variable y0 equal 7.38692112293505 set atom $i x ${xnew} set atom 81 x ${xnew} set atom 81 x 0.107205700874347 1 settings made for x set atom $i y ${ynew} set atom 81 y ${ynew} set atom 81 y 7.33556828823351 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2054 -2.9871562 -2.6010748 -2.5168975 2055 -2.9871562 -2.6010748 -2.5862253 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 81 x ${x0} set atom 81 x 0.0322040319442937 1 settings made for x set atom $i y ${y0} set atom 81 y ${y0} set atom 81 y 7.38692112293505 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.40156468867379 variable y0 equal ${yi} variable y0 equal 0.00304889678955437 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.33820057629662 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y 0.0819049954414404 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2055 -2.9871562 -2.6010748 -2.5862253 2056 -2.9871562 -2.6010748 -2.5749069 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.40156468867379 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 0.00304889678955437 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 0.00866041183467914 variable y0 equal ${yi} variable y0 equal 5.47490171139435 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 0.0324913382529836 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.50569564049439 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2056 -2.9871562 -2.6010748 -2.5749069 2057 -2.9871562 -2.6010748 -2.6032979 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.6032979386677 variable naccept equal ${increment} variable naccept equal 413 next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.54554458140013 variable y0 equal ${yi} variable y0 equal 3.70140816731585 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.45436392305968 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.67944634719027 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2057 -2.9871562 -2.6032979 -2.6032979 2058 -2.9871562 -2.6032979 -2.5342494 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 59 x ${x0} set atom 59 x 9.54554458140013 1 settings made for x set atom $i y ${y0} set atom 59 y ${y0} set atom 59 y 3.70140816731585 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.35422850051785 variable y0 equal ${yi} variable y0 equal 7.41203050937915 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.45397657552624 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.38276151743198 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2058 -2.9871562 -2.6032979 -2.5342494 2059 -2.9871562 -2.6032979 -2.5964426 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.35422850051785 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.41203050937915 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.24420675992527 variable y0 equal ${yi} variable y0 equal 3.73567457957399 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.17291624307194 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.72036177678239 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2059 -2.9871562 -2.6032979 -2.5964426 2060 -2.9871562 -2.6032979 -2.5839948 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.24420675992527 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.73567457957399 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.35422850051785 variable y0 equal ${yi} variable y0 equal 7.41203050937915 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.26873528161908 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.44753073778415 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2060 -2.9871562 -2.6032979 -2.5839948 2061 -2.9871562 -2.6032979 -2.5719577 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.35422850051785 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.41203050937915 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 10.7265060384922 variable y0 equal ${yi} variable y0 equal 1.84549867293901 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x 10.7703439076595 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.77396916530199 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2061 -2.9871562 -2.6032979 -2.5719577 2062 -2.9871562 -2.6032979 -2.5869885 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 21 x ${x0} set atom 21 x 10.7265060384922 1 settings made for x set atom $i y ${y0} set atom 21 y ${y0} set atom 21 y 1.84549867293901 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.54554458140013 variable y0 equal ${yi} variable y0 equal 3.70140816731585 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.57288145302412 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.68945432467593 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2062 -2.9871562 -2.6032979 -2.5869885 2063 -2.9871562 -2.6032979 -2.6084408 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.60844078200088 variable naccept equal ${increment} variable naccept equal 414 next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.69106418092681 variable y0 equal ${yi} variable y0 equal 0.920749815214004 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.72328875263167 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 0.979590900647964 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2063 -2.9871562 -2.6084408 -2.6084408 2064 -2.9871562 -2.6084408 -2.6036571 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 6 x ${x0} set atom 6 x 2.69106418092681 1 settings made for x set atom $i y ${y0} set atom 6 y ${y0} set atom 6 y 0.920749815214004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 99 variable x0 equal ${xi} variable x0 equal 9.7112571763861 variable y0 equal ${yi} variable y0 equal 7.38156818475986 set atom $i x ${xnew} set atom 99 x ${xnew} set atom 99 x 9.73832246540664 1 settings made for x set atom $i y ${ynew} set atom 99 y ${ynew} set atom 99 y 7.29915854063297 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2064 -2.9871562 -2.6084408 -2.6036571 2065 -2.9871562 -2.6084408 -2.587883 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 99 x ${x0} set atom 99 x 9.7112571763861 1 settings made for x set atom $i y ${y0} set atom 99 y ${y0} set atom 99 y 7.38156818475986 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.95025718807079 variable y0 equal ${yi} variable y0 equal 0.949378951299518 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.99828483461239 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 0.954574580896228 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2065 -2.9871562 -2.6084408 -2.587883 2066 -2.9871562 -2.6084408 -2.5948138 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.95025718807079 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.949378951299518 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.525174053111937 variable y0 equal ${yi} variable y0 equal 0.894475575197066 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.621897263923552 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.950425739991988 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2066 -2.9871562 -2.6084408 -2.5948138 2067 -2.9871562 -2.6084408 -2.5860345 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.525174053111937 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.894475575197066 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.80623258868343 variable y0 equal ${yi} variable y0 equal 6.50073292986383 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.78012387076503 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.5478436185502 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2067 -2.9871562 -2.6084408 -2.5860345 2068 -2.9871562 -2.6084408 -2.601369 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 68 x ${x0} set atom 68 x 3.80623258868343 1 settings made for x set atom $i y ${y0} set atom 68 y ${y0} set atom 68 y 6.50073292986383 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.74727117021515 variable y0 equal ${yi} variable y0 equal 6.50648560062877 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.84643100698425 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.50359961525432 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2068 -2.9871562 -2.6084408 -2.601369 2069 -2.9871562 -2.6084408 -2.5729825 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 66 x ${x0} set atom 66 x 2.74727117021515 1 settings made for x set atom $i y ${y0} set atom 66 y ${y0} set atom 66 y 6.50648560062877 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.18122052589761 variable y0 equal ${yi} variable y0 equal 7.43532284822726 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.27029046455728 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.47268640127444 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2069 -2.9871562 -2.6084408 -2.5729825 2070 -2.9871562 -2.6084408 -2.5710236 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.18122052589761 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.43532284822726 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.68984863638659 variable y0 equal ${yi} variable y0 equal 6.46641751066677 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.66294412493487 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.42871927753918 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2070 -2.9871562 -2.6084408 -2.5710236 2071 -2.9871562 -2.6084408 -2.6002637 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.68984863638659 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.46641751066677 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.64853589733076 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.71910745257302 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2071 -2.9871562 -2.6084408 -2.6002637 2072 -2.9871562 -2.6084408 -2.5814271 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.01011228838607 variable y0 equal ${yi} variable y0 equal 4.6700352584736 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 6.99214203634902 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.57816175574228 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2072 -2.9871562 -2.6084408 -2.5814271 2073 -2.9871562 -2.6084408 -2.5774107 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.01011228838607 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.6700352584736 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.68984863638659 variable y0 equal ${yi} variable y0 equal 6.46641751066677 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.78940023064394 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.39243279234402 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2073 -2.9871562 -2.6084408 -2.5774107 2074 -2.9871562 -2.6084408 -2.5546728 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.68984863638659 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.46641751066677 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.24420675992527 variable y0 equal ${yi} variable y0 equal 3.73567457957399 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.25362108706989 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.8252430276407 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2074 -2.9871562 -2.6084408 -2.5546728 2075 -2.9871562 -2.6084408 -2.5921458 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.24420675992527 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.73567457957399 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.57771970509168 variable y0 equal ${yi} variable y0 equal 0.0528771042823788 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.64655262707349 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y -0.000400447845459333 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2075 -2.9871562 -2.6084408 -2.5921458 2076 -2.9871562 -2.6084408 -2.5833323 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.57771970509168 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.0528771042823788 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 8 variable x0 equal ${xi} variable x0 equal 3.72890197554714 variable y0 equal ${yi} variable y0 equal 1.0604893166903 set atom $i x ${xnew} set atom 8 x ${xnew} set atom 8 x 3.77722244778759 1 settings made for x set atom $i y ${ynew} set atom 8 y ${ynew} set atom 8 y 0.997667058217857 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2076 -2.9871562 -2.6084408 -2.5833323 2077 -2.9871562 -2.6084408 -2.6077844 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 8 x ${x0} set atom 8 x 3.72890197554714 1 settings made for x set atom $i y ${y0} set atom 8 y ${y0} set atom 8 y 1.0604893166903 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 10.7265060384922 variable y0 equal ${yi} variable y0 equal 1.84549867293901 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x 10.7424187858753 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.82795060060091 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2077 -2.9871562 -2.6084408 -2.6077844 2078 -2.9871562 -2.6084408 -2.6067133 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 21 x ${x0} set atom 21 x 10.7265060384922 1 settings made for x set atom $i y ${y0} set atom 21 y ${y0} set atom 21 y 1.84549867293901 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.545649071136379 variable y0 equal ${yi} variable y0 equal 2.77431966039041 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.576864202419185 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.69530526372293 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2078 -2.9871562 -2.6084408 -2.6067133 2079 -2.9871562 -2.6084408 -2.5870455 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.545649071136379 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.77431966039041 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.146871400263 variable y0 equal ${yi} variable y0 equal 4.57325408810541 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.2036228899023 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.57710585946008 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2079 -2.9871562 -2.6084408 -2.5870455 2080 -2.9871562 -2.6084408 -2.6130804 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.61308039877739 variable naccept equal ${increment} variable naccept equal 415 next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.98549635687515 variable y0 equal ${yi} variable y0 equal 2.82734158011773 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 7.0287161854808 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.76470638486245 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2080 -2.9871562 -2.6130804 -2.6130804 2081 -2.9871562 -2.6130804 -2.5951708 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.98549635687515 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.82734158011773 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.31596373716261 variable y0 equal ${yi} variable y0 equal 1.83819601914949 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.33779021898176 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.8717039742238 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2081 -2.9871562 -2.6130804 -2.5951708 2082 -2.9871562 -2.6130804 -2.6116893 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 31 x ${x0} set atom 31 x 5.31596373716261 1 settings made for x set atom $i y ${y0} set atom 31 y ${y0} set atom 31 y 1.83819601914949 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.80759401837473 variable y0 equal ${yi} variable y0 equal 4.6440585290806 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.83569373408442 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.62202629202768 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2082 -2.9871562 -2.6130804 -2.6116893 2083 -2.9871562 -2.6130804 -2.6124389 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.80759401837473 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.6440585290806 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.59001860499163 variable y0 equal ${yi} variable y0 equal 4.68076303357049 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.61240752815981 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.72244731539651 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2083 -2.9871562 -2.6130804 -2.6124389 2084 -2.9871562 -2.6130804 -2.6083766 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.59001860499163 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.68076303357049 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.40156468867379 variable y0 equal ${yi} variable y0 equal 0.00304889678955437 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.4566431474598 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y 0.0326084017753637 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2084 -2.9871562 -2.6130804 -2.6083766 2085 -2.9871562 -2.6130804 -2.6030583 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.40156468867379 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 0.00304889678955437 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 93 variable x0 equal ${xi} variable x0 equal 6.45546932934839 variable y0 equal ${yi} variable y0 equal 7.46753717985414 set atom $i x ${xnew} set atom 93 x ${xnew} set atom 93 x 6.51859577416498 1 settings made for x set atom $i y ${ynew} set atom 93 y ${ynew} set atom 93 y 7.43633932199739 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2085 -2.9871562 -2.6130804 -2.6030583 2086 -2.9871562 -2.6130804 -2.6022751 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 93 x ${x0} set atom 93 x 6.45546932934839 1 settings made for x set atom $i y ${y0} set atom 93 y ${y0} set atom 93 y 7.46753717985414 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 17 variable x0 equal ${xi} variable x0 equal 8.49737423816149 variable y0 equal ${yi} variable y0 equal 9.2278668593201 set atom $i x ${xnew} set atom 17 x ${xnew} set atom 17 x 8.45666847386782 1 settings made for x set atom $i y ${ynew} set atom 17 y ${ynew} set atom 17 y 9.24673350560993 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2086 -2.9871562 -2.6130804 -2.6022751 2087 -2.9871562 -2.6130804 -2.6086231 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 17 x ${x0} set atom 17 x 8.49737423816149 1 settings made for x set atom $i y ${y0} set atom 17 y ${y0} set atom 17 y 9.2278668593201 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.545649071136379 variable y0 equal ${yi} variable y0 equal 2.77431966039041 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.645550711551571 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.68618227216104 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2087 -2.9871562 -2.6130804 -2.6086231 2088 -2.9871562 -2.6130804 -2.5477924 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.545649071136379 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.77431966039041 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 79 variable x0 equal ${xi} variable x0 equal 9.66362923859236 variable y0 equal ${yi} variable y0 equal 5.65359488671022 set atom $i x ${xnew} set atom 79 x ${xnew} set atom 79 x 9.61460631369231 1 settings made for x set atom $i y ${ynew} set atom 79 y ${ynew} set atom 79 y 5.69201638643938 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2088 -2.9871562 -2.6130804 -2.5477924 2089 -2.9871562 -2.6130804 -2.5900462 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 79 x ${x0} set atom 79 x 9.66362923859236 1 settings made for x set atom $i y ${y0} set atom 79 y ${y0} set atom 79 y 5.65359488671022 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 79 variable x0 equal ${xi} variable x0 equal 9.66362923859236 variable y0 equal ${yi} variable y0 equal 5.65359488671022 set atom $i x ${xnew} set atom 79 x ${xnew} set atom 79 x 9.56851518629668 1 settings made for x set atom $i y ${ynew} set atom 79 y ${ynew} set atom 79 y 5.71247581188875 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2089 -2.9871562 -2.6130804 -2.5900462 2090 -2.9871562 -2.6130804 -2.5503953 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 79 x ${x0} set atom 79 x 9.66362923859236 1 settings made for x set atom $i y ${y0} set atom 79 y ${y0} set atom 79 y 5.65359488671022 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.131702781107 variable y0 equal ${yi} variable y0 equal 8.31063791431484 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.114931083109 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.29968972124157 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2090 -2.9871562 -2.6130804 -2.5503953 2091 -2.9871562 -2.6130804 -2.6085574 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 100 x ${x0} set atom 100 x 10.131702781107 1 settings made for x set atom $i y ${y0} set atom 100 y ${y0} set atom 100 y 8.31063791431484 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 49 variable x0 equal ${xi} variable x0 equal 4.37311956961365 variable y0 equal ${yi} variable y0 equal 3.73546738190782 set atom $i x ${xnew} set atom 49 x ${xnew} set atom 49 x 4.46470931847306 1 settings made for x set atom $i y ${ynew} set atom 49 y ${ynew} set atom 49 y 3.82888581318986 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2091 -2.9871562 -2.6130804 -2.6085574 2092 -2.9871562 -2.6130804 -2.3827011 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 49 x ${x0} set atom 49 x 4.37311956961365 1 settings made for x set atom $i y ${y0} set atom 49 y ${y0} set atom 49 y 3.73546738190782 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 17 variable x0 equal ${xi} variable x0 equal 8.49737423816149 variable y0 equal ${yi} variable y0 equal 9.2278668593201 set atom $i x ${xnew} set atom 17 x ${xnew} set atom 17 x 8.40813176789706 1 settings made for x set atom $i y ${ynew} set atom 17 y ${ynew} set atom 17 y 9.24877109039157 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2092 -2.9871562 -2.6130804 -2.3827011 2093 -2.9871562 -2.6130804 -2.5841332 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 17 x ${x0} set atom 17 x 8.49737423816149 1 settings made for x set atom $i y ${y0} set atom 17 y ${y0} set atom 17 y 9.2278668593201 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 38 variable x0 equal ${xi} variable x0 equal 9.09958864171057 variable y0 equal ${yi} variable y0 equal 2.75573046180108 set atom $i x ${xnew} set atom 38 x ${xnew} set atom 38 x 9.17355055529623 1 settings made for x set atom $i y ${ynew} set atom 38 y ${ynew} set atom 38 y 2.77106637927392 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2093 -2.9871562 -2.6130804 -2.5841332 2094 -2.9871562 -2.6130804 -2.5914282 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 38 x ${x0} set atom 38 x 9.09958864171057 1 settings made for x set atom $i y ${y0} set atom 38 y ${y0} set atom 38 y 2.75573046180108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 12 variable x0 equal ${xi} variable x0 equal 5.84254707057468 variable y0 equal ${yi} variable y0 equal 0.912364717233509 set atom $i x ${xnew} set atom 12 x ${xnew} set atom 12 x 5.80643229444019 1 settings made for x set atom $i y ${ynew} set atom 12 y ${ynew} set atom 12 y 0.955311151254505 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2094 -2.9871562 -2.6130804 -2.5914282 2095 -2.9871562 -2.6130804 -2.6084448 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 12 x ${x0} set atom 12 x 5.84254707057468 1 settings made for x set atom $i y ${y0} set atom 12 y ${y0} set atom 12 y 0.912364717233509 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.59001860499163 variable y0 equal ${yi} variable y0 equal 4.68076303357049 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.55930349707384 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.71263198012277 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2095 -2.9871562 -2.6130804 -2.6084448 2096 -2.9871562 -2.6130804 -2.6028301 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.59001860499163 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.68076303357049 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.78193971434718 variable y0 equal ${yi} variable y0 equal 8.31736352361736 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.80529048958903 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.27772569574413 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2096 -2.9871562 -2.6130804 -2.6028301 2097 -2.9871562 -2.6130804 -2.6054953 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.78193971434718 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.31736352361736 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.23979663292276 variable y0 equal ${yi} variable y0 equal 5.5713402385016 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.30257943312036 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.56356129591661 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2097 -2.9871562 -2.6130804 -2.6054953 2098 -2.9871562 -2.6130804 -2.5985934 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.23979663292276 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.5713402385016 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 12 variable x0 equal ${xi} variable x0 equal 5.84254707057468 variable y0 equal ${yi} variable y0 equal 0.912364717233509 set atom $i x ${xnew} set atom 12 x ${xnew} set atom 12 x 5.94123060662738 1 settings made for x set atom $i y ${ynew} set atom 12 y ${ynew} set atom 12 y 0.956614466417164 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2098 -2.9871562 -2.6130804 -2.5985934 2099 -2.9871562 -2.6130804 -2.5813746 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 12 x ${x0} set atom 12 x 5.84254707057468 1 settings made for x set atom $i y ${y0} set atom 12 y ${y0} set atom 12 y 0.912364717233509 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 41 variable x0 equal ${xi} variable x0 equal 10.7038741310291 variable y0 equal ${yi} variable y0 equal 3.65389419360293 set atom $i x ${xnew} set atom 41 x ${xnew} set atom 41 x 10.633286305254 1 settings made for x set atom $i y ${ynew} set atom 41 y ${ynew} set atom 41 y 3.69973904652728 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2099 -2.9871562 -2.6130804 -2.5813746 2100 -2.9871562 -2.6130804 -2.5984025 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 41 x ${x0} set atom 41 x 10.7038741310291 1 settings made for x set atom $i y ${y0} set atom 41 y ${y0} set atom 41 y 3.65389419360293 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 63 variable x0 equal ${xi} variable x0 equal 1.09178573210888 variable y0 equal ${yi} variable y0 equal 5.57776011173921 set atom $i x ${xnew} set atom 63 x ${xnew} set atom 63 x 0.994692245322991 1 settings made for x set atom $i y ${ynew} set atom 63 y ${ynew} set atom 63 y 5.54654970114427 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2100 -2.9871562 -2.6130804 -2.5984025 2101 -2.9871562 -2.6130804 -2.5912665 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 63 x ${x0} set atom 63 x 1.09178573210888 1 settings made for x set atom $i y ${y0} set atom 63 y ${y0} set atom 63 y 5.57776011173921 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.82160441517171 variable y0 equal ${yi} variable y0 equal 8.38617150701579 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.85650510429677 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.3835609785467 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2101 -2.9871562 -2.6130804 -2.5912665 2102 -2.9871562 -2.6130804 -2.6095238 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.82160441517171 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.38617150701579 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 87 variable x0 equal ${xi} variable x0 equal 3.20964491128483 variable y0 equal ${yi} variable y0 equal 7.4096286090877 set atom $i x ${xnew} set atom 87 x ${xnew} set atom 87 x 3.22349263190785 1 settings made for x set atom $i y ${ynew} set atom 87 y ${ynew} set atom 87 y 7.48321880426669 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2102 -2.9871562 -2.6130804 -2.6095238 2103 -2.9871562 -2.6130804 -2.6086244 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 87 x ${x0} set atom 87 x 3.20964491128483 1 settings made for x set atom $i y ${y0} set atom 87 y ${y0} set atom 87 y 7.4096286090877 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.59002644299146 variable y0 equal ${yi} variable y0 equal 1.88995120904511 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.58818526743528 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.79969125173157 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2103 -2.9871562 -2.6130804 -2.6086244 2104 -2.9871562 -2.6130804 -2.6200879 Loop time of 7.9155e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.6200879197493 variable naccept equal ${increment} variable naccept equal 416 next iter jump SELF loop variable i equal ${irandom} variable i equal 38 variable x0 equal ${xi} variable x0 equal 9.09958864171057 variable y0 equal ${yi} variable y0 equal 2.75573046180108 set atom $i x ${xnew} set atom 38 x ${xnew} set atom 38 x 9.11790669877081 1 settings made for x set atom $i y ${ynew} set atom 38 y ${ynew} set atom 38 y 2.78082419606545 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2104 -2.9871562 -2.6200879 -2.6200879 2105 -2.9871562 -2.6200879 -2.6153046 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 38 x ${x0} set atom 38 x 9.09958864171057 1 settings made for x set atom $i y ${y0} set atom 38 y ${y0} set atom 38 y 2.75573046180108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.64328949609225 variable y0 equal ${yi} variable y0 equal 7.40728055563236 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.73927835383837 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.43643005218769 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2105 -2.9871562 -2.6200879 -2.6153046 2106 -2.9871562 -2.6200879 -2.602295 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 97 x ${x0} set atom 97 x 8.64328949609225 1 settings made for x set atom $i y ${y0} set atom 97 y ${y0} set atom 97 y 7.40728055563236 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 12 variable x0 equal ${xi} variable x0 equal 5.84254707057468 variable y0 equal ${yi} variable y0 equal 0.912364717233509 set atom $i x ${xnew} set atom 12 x ${xnew} set atom 12 x 5.85205892283908 1 settings made for x set atom $i y ${ynew} set atom 12 y ${ynew} set atom 12 y 0.848480756986469 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2106 -2.9871562 -2.6200879 -2.602295 2107 -2.9871562 -2.6200879 -2.6065601 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 12 x ${x0} set atom 12 x 5.84254707057468 1 settings made for x set atom $i y ${y0} set atom 12 y ${y0} set atom 12 y 0.912364717233509 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.1789412740728 variable y0 equal ${yi} variable y0 equal 2.78276804658273 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.1268543247244 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.81691535683969 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2107 -2.9871562 -2.6200879 -2.6065601 2108 -2.9871562 -2.6200879 -2.6123192 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.1789412740728 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.78276804658273 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.01011228838607 variable y0 equal ${yi} variable y0 equal 4.6700352584736 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.02137503901168 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.76226057166025 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2108 -2.9871562 -2.6200879 -2.6123192 2109 -2.9871562 -2.6200879 -2.5793092 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.01011228838607 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.6700352584736 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.40227376301499 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.49180651848514 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2109 -2.9871562 -2.6200879 -2.5793092 2110 -2.9871562 -2.6200879 -2.6176255 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.22492432355444 variable y0 equal ${yi} variable y0 equal 0.0240613460540867 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.14267817496817 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y 0.00796296596528055 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2110 -2.9871562 -2.6200879 -2.6176255 2111 -2.9871562 -2.6200879 -2.6096072 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 7 x ${x0} set atom 7 x 3.22492432355444 1 settings made for x set atom $i y ${y0} set atom 7 y ${y0} set atom 7 y 0.0240613460540867 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.12744101880885 variable y0 equal ${yi} variable y0 equal 6.56631985441675 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 8.0827975571046 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.62058724895944 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2111 -2.9871562 -2.6200879 -2.6096072 2112 -2.9871562 -2.6200879 -2.615825 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 76 x ${x0} set atom 76 x 8.12744101880885 1 settings made for x set atom $i y ${y0} set atom 76 y ${y0} set atom 76 y 6.56631985441675 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 87 variable x0 equal ${xi} variable x0 equal 3.20964491128483 variable y0 equal ${yi} variable y0 equal 7.4096286090877 set atom $i x ${xnew} set atom 87 x ${xnew} set atom 87 x 3.28255841493168 1 settings made for x set atom $i y ${ynew} set atom 87 y ${ynew} set atom 87 y 7.50208472337984 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2112 -2.9871562 -2.6200879 -2.615825 2113 -2.9871562 -2.6200879 -2.6012276 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 87 x ${x0} set atom 87 x 3.20964491128483 1 settings made for x set atom $i y ${y0} set atom 87 y ${y0} set atom 87 y 7.4096286090877 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.23979663292276 variable y0 equal ${yi} variable y0 equal 5.5713402385016 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.23980398813593 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.55024149363237 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2113 -2.9871562 -2.6200879 -2.6012276 2114 -2.9871562 -2.6200879 -2.6184157 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.23979663292276 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.5713402385016 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.69106418092681 variable y0 equal ${yi} variable y0 equal 0.920749815214004 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.71659301717711 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 0.993120976198043 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2114 -2.9871562 -2.6200879 -2.6184157 2115 -2.9871562 -2.6200879 -2.6145995 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 6 x ${x0} set atom 6 x 2.69106418092681 1 settings made for x set atom $i y ${y0} set atom 6 y ${y0} set atom 6 y 0.920749815214004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 86 variable x0 equal ${xi} variable x0 equal 2.71264111001922 variable y0 equal ${yi} variable y0 equal 8.37165092147884 set atom $i x ${xnew} set atom 86 x ${xnew} set atom 86 x 2.71496112544967 1 settings made for x set atom $i y ${ynew} set atom 86 y ${ynew} set atom 86 y 8.36825541175899 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2115 -2.9871562 -2.6200879 -2.6145995 2116 -2.9871562 -2.6200879 -2.6200035 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 86 x ${x0} set atom 86 x 2.71264111001922 1 settings made for x set atom $i y ${y0} set atom 86 y ${y0} set atom 86 y 8.37165092147884 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.10495061277249 variable y0 equal ${yi} variable y0 equal 4.66507560366557 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.02358734010556 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.70106228941844 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2116 -2.9871562 -2.6200879 -2.6200035 2117 -2.9871562 -2.6200879 -2.6127151 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 56 x ${x0} set atom 56 x 8.10495061277249 1 settings made for x set atom $i y ${y0} set atom 56 y ${y0} set atom 56 y 4.66507560366557 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.82160441517171 variable y0 equal ${yi} variable y0 equal 8.38617150701579 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.77769045471486 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.40564451135692 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2117 -2.9871562 -2.6200879 -2.6127151 2118 -2.9871562 -2.6200879 -2.6144668 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.82160441517171 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.38617150701579 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 50 variable x0 equal ${xi} variable x0 equal 4.95269535421668 variable y0 equal ${yi} variable y0 equal 4.50253551358148 set atom $i x ${xnew} set atom 50 x ${xnew} set atom 50 x 5.01379267811118 1 settings made for x set atom $i y ${ynew} set atom 50 y ${ynew} set atom 50 y 4.55057667845651 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2118 -2.9871562 -2.6200879 -2.6144668 2119 -2.9871562 -2.6200879 -2.6151538 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 50 x ${x0} set atom 50 x 4.95269535421668 1 settings made for x set atom $i y ${y0} set atom 50 y ${y0} set atom 50 y 4.50253551358148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.13902074734077 variable y0 equal ${yi} variable y0 equal 9.29444277990191 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 2.22520183960304 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y 9.33449799526064 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2119 -2.9871562 -2.6200879 -2.6151538 2120 -2.9871562 -2.6200879 -2.6039994 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 2.13902074734077 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 9.29444277990191 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 10.7265060384922 variable y0 equal ${yi} variable y0 equal 1.84549867293901 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x 10.7632713158779 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.82145874879427 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2120 -2.9871562 -2.6200879 -2.6039994 2121 -2.9871562 -2.6200879 -2.6167432 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 21 x ${x0} set atom 21 x 10.7265060384922 1 settings made for x set atom $i y ${y0} set atom 21 y ${y0} set atom 21 y 1.84549867293901 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 73 variable x0 equal ${xi} variable x0 equal 6.49922751902657 variable y0 equal ${yi} variable y0 equal 5.52039463465411 set atom $i x ${xnew} set atom 73 x ${xnew} set atom 73 x 6.4561936092289 1 settings made for x set atom $i y ${ynew} set atom 73 y ${ynew} set atom 73 y 5.48818509524066 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2121 -2.9871562 -2.6200879 -2.6167432 2122 -2.9871562 -2.6200879 -2.6023197 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 73 x ${x0} set atom 73 x 6.49922751902657 1 settings made for x set atom $i y ${y0} set atom 73 y ${y0} set atom 73 y 5.52039463465411 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.88060106316253 variable y0 equal ${yi} variable y0 equal 0.960105260122139 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.78331792631789 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 0.960430355775673 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2122 -2.9871562 -2.6200879 -2.6023197 2123 -2.9871562 -2.6200879 -2.587116 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.88060106316253 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 0.960105260122139 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.52396155435811 variable y0 equal ${yi} variable y0 equal 3.76348131461275 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.57654489118825 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.81131917996538 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2123 -2.9871562 -2.6200879 -2.587116 2124 -2.9871562 -2.6200879 -2.6063564 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 55 x ${x0} set atom 55 x 7.52396155435811 1 settings made for x set atom $i y ${y0} set atom 55 y ${y0} set atom 55 y 3.76348131461275 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 50 variable x0 equal ${xi} variable x0 equal 4.95269535421668 variable y0 equal ${yi} variable y0 equal 4.50253551358148 set atom $i x ${xnew} set atom 50 x ${xnew} set atom 50 x 4.94949764847098 1 settings made for x set atom $i y ${ynew} set atom 50 y ${ynew} set atom 50 y 4.44274565333291 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2124 -2.9871562 -2.6200879 -2.6063564 2125 -2.9871562 -2.6200879 -2.5385927 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 50 x ${x0} set atom 50 x 4.95269535421668 1 settings made for x set atom $i y ${y0} set atom 50 y ${y0} set atom 50 y 4.50253551358148 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.31596373716261 variable y0 equal ${yi} variable y0 equal 1.83819601914949 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.22645022073652 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.75900538346834 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2125 -2.9871562 -2.6200879 -2.5385927 2126 -2.9871562 -2.6200879 -2.57439 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 31 x ${x0} set atom 31 x 5.31596373716261 1 settings made for x set atom $i y ${y0} set atom 31 y ${y0} set atom 31 y 1.83819601914949 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.131702781107 variable y0 equal ${yi} variable y0 equal 8.31063791431484 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.2269450549145 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.28602925457058 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2126 -2.9871562 -2.6200879 -2.57439 2127 -2.9871562 -2.6200879 -2.6131375 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 100 x ${x0} set atom 100 x 10.131702781107 1 settings made for x set atom $i y ${y0} set atom 100 y ${y0} set atom 100 y 8.31063791431484 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 3 variable x0 equal ${xi} variable x0 equal 1.02897904236965 variable y0 equal ${yi} variable y0 equal 9.27259716499179 set atom $i x ${xnew} set atom 3 x ${xnew} set atom 3 x 0.93149653990917 1 settings made for x set atom $i y ${ynew} set atom 3 y ${ynew} set atom 3 y 9.2924638341698 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2127 -2.9871562 -2.6200879 -2.6131375 2128 -2.9871562 -2.6200879 -2.6058255 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 3 x ${x0} set atom 3 x 1.02897904236965 1 settings made for x set atom $i y ${y0} set atom 3 y ${y0} set atom 3 y 9.27259716499179 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.51557409285624 variable y0 equal ${yi} variable y0 equal 3.75448479218613 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.55205233811457 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.82917621894013 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2128 -2.9871562 -2.6200879 -2.6058255 2129 -2.9871562 -2.6200879 -2.5924847 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 53 x ${x0} set atom 53 x 6.51557409285624 1 settings made for x set atom $i y ${y0} set atom 53 y ${y0} set atom 53 y 3.75448479218613 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.40156468867379 variable y0 equal ${yi} variable y0 equal 0.00304889678955437 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.41578329323846 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y 0.000196850299838794 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2129 -2.9871562 -2.6200879 -2.5924847 2130 -2.9871562 -2.6200879 -2.6197265 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.40156468867379 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 0.00304889678955437 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.78193971434718 variable y0 equal ${yi} variable y0 equal 8.31736352361736 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.70840985098964 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.24727023757992 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2130 -2.9871562 -2.6200879 -2.6197265 2131 -2.9871562 -2.6200879 -2.5958322 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.78193971434718 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.31736352361736 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.18122052589761 variable y0 equal ${yi} variable y0 equal 7.43532284822726 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.2494419757496 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.518750861552 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2131 -2.9871562 -2.6200879 -2.5958322 2132 -2.9871562 -2.6200879 -2.5847612 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.18122052589761 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.43532284822726 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.05432130693294 variable y0 equal ${yi} variable y0 equal 8.31604041971262 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.12337232230998 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.28358571447428 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2132 -2.9871562 -2.6200879 -2.5847612 2133 -2.9871562 -2.6200879 -2.6025478 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.05432130693294 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.31604041971262 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 41 variable x0 equal ${xi} variable x0 equal 10.7038741310291 variable y0 equal ${yi} variable y0 equal 3.65389419360293 set atom $i x ${xnew} set atom 41 x ${xnew} set atom 41 x 10.6059737880878 1 settings made for x set atom $i y ${ynew} set atom 41 y ${ynew} set atom 41 y 3.69498593373431 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2133 -2.9871562 -2.6200879 -2.6025478 2134 -2.9871562 -2.6200879 -2.59689 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 41 x ${x0} set atom 41 x 10.7038741310291 1 settings made for x set atom $i y ${y0} set atom 41 y ${y0} set atom 41 y 3.65389419360293 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 87 variable x0 equal ${xi} variable x0 equal 3.20964491128483 variable y0 equal ${yi} variable y0 equal 7.4096286090877 set atom $i x ${xnew} set atom 87 x ${xnew} set atom 87 x 3.2147117829279 1 settings made for x set atom $i y ${ynew} set atom 87 y ${ynew} set atom 87 y 7.31519803133273 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2134 -2.9871562 -2.6200879 -2.59689 2135 -2.9871562 -2.6200879 -2.5810694 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 87 x ${x0} set atom 87 x 3.20964491128483 1 settings made for x set atom $i y ${y0} set atom 87 y ${y0} set atom 87 y 7.4096286090877 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.51557409285624 variable y0 equal ${yi} variable y0 equal 3.75448479218613 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.41877715109904 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.6553682164682 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2135 -2.9871562 -2.6200879 -2.5810694 2136 -2.9871562 -2.6200879 -2.5694547 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 53 x ${x0} set atom 53 x 6.51557409285624 1 settings made for x set atom $i y ${y0} set atom 53 y ${y0} set atom 53 y 3.75448479218613 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.98599239308387 variable y0 equal ${yi} variable y0 equal 0.925951715219346 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 8.97489865738899 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 0.975417896020738 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2136 -2.9871562 -2.6200879 -2.5694547 2137 -2.9871562 -2.6200879 -2.6069619 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 8.98599239308387 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.925951715219346 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.31808795690099 variable y0 equal ${yi} variable y0 equal 5.6091846699019 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.30972831010381 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.57299091761308 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2137 -2.9871562 -2.6200879 -2.6069619 2138 -2.9871562 -2.6200879 -2.6225973 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.6225973127486 variable naccept equal ${increment} variable naccept equal 417 next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.12744101880885 variable y0 equal ${yi} variable y0 equal 6.56631985441675 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 8.06254464982844 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.65305718914499 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2138 -2.9871562 -2.6225973 -2.6225973 2139 -2.9871562 -2.6225973 -2.5998862 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 76 x ${x0} set atom 76 x 8.12744101880885 1 settings made for x set atom $i y ${y0} set atom 76 y ${y0} set atom 76 y 6.56631985441675 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.58818526743528 variable y0 equal ${yi} variable y0 equal 1.79969125173157 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.58521930454847 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.81828533790177 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2139 -2.9871562 -2.6225973 -2.5998862 2140 -2.9871562 -2.6225973 -2.6236487 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.62364873252181 variable naccept equal ${increment} variable naccept equal 418 next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.98550258834353 variable y0 equal ${yi} variable y0 equal 6.47227353588572 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 5.89791622121325 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.39410578743449 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2140 -2.9871562 -2.6236487 -2.6236487 2141 -2.9871562 -2.6236487 -2.5969675 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 72 x ${x0} set atom 72 x 5.98550258834353 1 settings made for x set atom $i y ${y0} set atom 72 y ${y0} set atom 72 y 6.47227353588572 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 12 variable x0 equal ${xi} variable x0 equal 5.84254707057468 variable y0 equal ${yi} variable y0 equal 0.912364717233509 set atom $i x ${xnew} set atom 12 x ${xnew} set atom 12 x 5.87521219213001 1 settings made for x set atom $i y ${ynew} set atom 12 y ${ynew} set atom 12 y 0.994567557084888 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2141 -2.9871562 -2.6236487 -2.5969675 2142 -2.9871562 -2.6236487 -2.6143354 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 12 x ${x0} set atom 12 x 5.84254707057468 1 settings made for x set atom $i y ${y0} set atom 12 y ${y0} set atom 12 y 0.912364717233509 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.05432130693294 variable y0 equal ${yi} variable y0 equal 8.31604041971262 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 7.96191276906825 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.36252727426584 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2142 -2.9871562 -2.6236487 -2.6143354 2143 -2.9871562 -2.6236487 -2.6076814 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.05432130693294 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.31604041971262 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.29028950968 variable y0 equal ${yi} variable y0 equal 6.46599212423793 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.3269579891226 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.38312428728572 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2143 -2.9871562 -2.6236487 -2.6076814 2144 -2.9871562 -2.6236487 -2.6039298 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.29028950968 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.46599212423793 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.65343800981474 variable y0 equal ${yi} variable y0 equal 2.85940663787225 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.65179307659102 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 2.85066882344583 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2144 -2.9871562 -2.6236487 -2.6039298 2145 -2.9871562 -2.6236487 -2.6241195 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.62411949608528 variable naccept equal ${increment} variable naccept equal 419 next iter jump SELF loop variable i equal ${irandom} variable i equal 75 variable x0 equal ${xi} variable x0 equal 7.54070384342442 variable y0 equal ${yi} variable y0 equal 5.62746680920321 set atom $i x ${xnew} set atom 75 x ${xnew} set atom 75 x 7.52148601848851 1 settings made for x set atom $i y ${ynew} set atom 75 y ${ynew} set atom 75 y 5.57813051884371 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2145 -2.9871562 -2.6241195 -2.6241195 2146 -2.9871562 -2.6241195 -2.6300298 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.63002982078278 variable naccept equal ${increment} variable naccept equal 420 next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.19388546387063 variable y0 equal ${yi} variable y0 equal 3.77270575328004 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.21367698351251 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.83594119115007 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2146 -2.9871562 -2.6300298 -2.6300298 2147 -2.9871562 -2.6300298 -2.6199512 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.19388546387063 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.77270575328004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.545649071136379 variable y0 equal ${yi} variable y0 equal 2.77431966039041 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.509818597236538 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.85319542857507 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2147 -2.9871562 -2.6300298 -2.6199512 2148 -2.9871562 -2.6300298 -2.6147826 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.545649071136379 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.77431966039041 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.50331240732442 variable y0 equal ${yi} variable y0 equal 7.44483136263156 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.45119087536107 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.50670339193606 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2148 -2.9871562 -2.6300298 -2.6147826 2149 -2.9871562 -2.6300298 -2.603663 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 95 x ${x0} set atom 95 x 7.50331240732442 1 settings made for x set atom $i y ${y0} set atom 95 y ${y0} set atom 95 y 7.44483136263156 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.71933239896727 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.76648275011941 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2149 -2.9871562 -2.6300298 -2.603663 2150 -2.9871562 -2.6300298 -2.5927919 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.98599239308387 variable y0 equal ${yi} variable y0 equal 0.925951715219346 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 8.93179502207786 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 0.948751588571397 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2150 -2.9871562 -2.6300298 -2.5927919 2151 -2.9871562 -2.6300298 -2.61037 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 8.98599239308387 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.925951715219346 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.57771970509168 variable y0 equal ${yi} variable y0 equal 0.0528771042823788 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.66187344072934 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.0345873475074765 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2151 -2.9871562 -2.6300298 -2.61037 2152 -2.9871562 -2.6300298 -2.5936973 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.57771970509168 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.0528771042823788 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.50331240732442 variable y0 equal ${yi} variable y0 equal 7.44483136263156 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.48750804502736 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.45525549974704 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2152 -2.9871562 -2.6300298 -2.5936973 2153 -2.9871562 -2.6300298 -2.6272691 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 95 x ${x0} set atom 95 x 7.50331240732442 1 settings made for x set atom $i y ${y0} set atom 95 y ${y0} set atom 95 y 7.44483136263156 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 75 variable x0 equal ${xi} variable x0 equal 7.52148601848851 variable y0 equal ${yi} variable y0 equal 5.57813051884371 set atom $i x ${xnew} set atom 75 x ${xnew} set atom 75 x 7.49765412647496 1 settings made for x set atom $i y ${ynew} set atom 75 y ${ynew} set atom 75 y 5.61887504999834 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2153 -2.9871562 -2.6300298 -2.6272691 2154 -2.9871562 -2.6300298 -2.6124774 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 75 x ${x0} set atom 75 x 7.52148601848851 1 settings made for x set atom $i y ${y0} set atom 75 y ${y0} set atom 75 y 5.57813051884371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 10 variable x0 equal ${xi} variable x0 equal 4.77766234516441 variable y0 equal ${yi} variable y0 equal 0.927607925641864 set atom $i x ${xnew} set atom 10 x ${xnew} set atom 10 x 4.84027757286369 1 settings made for x set atom $i y ${ynew} set atom 10 y ${ynew} set atom 10 y 0.939836986768573 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2154 -2.9871562 -2.6300298 -2.6124774 2155 -2.9871562 -2.6300298 -2.6198505 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 10 x ${x0} set atom 10 x 4.77766234516441 1 settings made for x set atom $i y ${y0} set atom 10 y ${y0} set atom 10 y 0.927607925641864 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.57288145302412 variable y0 equal ${yi} variable y0 equal 3.68945432467593 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.59767272947905 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.63454348607196 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2155 -2.9871562 -2.6300298 -2.6198505 2156 -2.9871562 -2.6300298 -2.6234128 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 59 x ${x0} set atom 59 x 9.57288145302412 1 settings made for x set atom $i y ${y0} set atom 59 y ${y0} set atom 59 y 3.68945432467593 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.525174053111937 variable y0 equal ${yi} variable y0 equal 0.894475575197066 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.561173851886656 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.96259361099037 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2156 -2.9871562 -2.6300298 -2.6234128 2157 -2.9871562 -2.6300298 -2.6232034 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.525174053111937 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.894475575197066 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 86 variable x0 equal ${xi} variable x0 equal 2.71264111001922 variable y0 equal ${yi} variable y0 equal 8.37165092147884 set atom $i x ${xnew} set atom 86 x ${xnew} set atom 86 x 2.6349093218608 1 settings made for x set atom $i y ${ynew} set atom 86 y ${ynew} set atom 86 y 8.37413177408275 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2157 -2.9871562 -2.6300298 -2.6232034 2158 -2.9871562 -2.6300298 -2.6175069 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 86 x ${x0} set atom 86 x 2.71264111001922 1 settings made for x set atom $i y ${y0} set atom 86 y ${y0} set atom 86 y 8.37165092147884 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.19388546387063 variable y0 equal ${yi} variable y0 equal 3.77270575328004 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.22737614551888 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.80675087733399 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2158 -2.9871562 -2.6300298 -2.6175069 2159 -2.9871562 -2.6300298 -2.621983 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.19388546387063 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.77270575328004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.80623258868343 variable y0 equal ${yi} variable y0 equal 6.50073292986383 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.8936877421487 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.46438070074548 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2159 -2.9871562 -2.6300298 -2.621983 2160 -2.9871562 -2.6300298 -2.6187508 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 68 x ${x0} set atom 68 x 3.80623258868343 1 settings made for x set atom $i y ${y0} set atom 68 y ${y0} set atom 68 y 6.50073292986383 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.32252682526322 variable y0 equal ${yi} variable y0 equal 7.38917808857226 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.35552197773667 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.31590668287539 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2160 -2.9871562 -2.6300298 -2.6187508 2161 -2.9871562 -2.6300298 -2.6084269 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.32252682526322 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.38917808857226 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 8 variable x0 equal ${xi} variable x0 equal 3.72890197554714 variable y0 equal ${yi} variable y0 equal 1.0604893166903 set atom $i x ${xnew} set atom 8 x ${xnew} set atom 8 x 3.69528594533092 1 settings made for x set atom $i y ${ynew} set atom 8 y ${ynew} set atom 8 y 1.04593522142205 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2161 -2.9871562 -2.6300298 -2.6084269 2162 -2.9871562 -2.6300298 -2.6296063 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 8 x ${x0} set atom 8 x 3.72890197554714 1 settings made for x set atom $i y ${y0} set atom 8 y ${y0} set atom 8 y 1.0604893166903 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.89040735601722 variable y0 equal ${yi} variable y0 equal 6.45623155371179 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.851180287593 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.52295089498987 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2162 -2.9871562 -2.6300298 -2.6296063 2163 -2.9871562 -2.6300298 -2.6208491 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.89040735601722 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.45623155371179 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.46753388483297 variable y0 equal ${yi} variable y0 equal 0.0335806965827942 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.39618613559972 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y -0.00179249048233031 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2163 -2.9871562 -2.6300298 -2.6208491 2164 -2.9871562 -2.6300298 -2.6210892 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.46753388483297 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.0335806965827942 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.57771970509168 variable y0 equal ${yi} variable y0 equal 0.0528771042823788 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.64814867256757 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.10313868522644 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2164 -2.9871562 -2.6300298 -2.6210892 2165 -2.9871562 -2.6300298 -2.6001981 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.57771970509168 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.0528771042823788 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.5878455599004 variable y0 equal ${yi} variable y0 equal 9.28117802846759 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.5800406058484 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 9.29389863717883 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2165 -2.9871562 -2.6300298 -2.6001981 2166 -2.9871562 -2.6300298 -2.6272467 Loop time of 3.88622e-05 on 1 procs for 1 steps with 100 atoms 2573.2% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 1 x ${x0} set atom 1 x 10.5878455599004 1 settings made for x set atom $i y ${y0} set atom 1 y ${y0} set atom 1 y 9.28117802846759 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.92159051854602 variable y0 equal ${yi} variable y0 equal 2.79073218079903 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.92034897763721 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.80042437287667 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2166 -2.9871562 -2.6300298 -2.6272467 2167 -2.9871562 -2.6300298 -2.6322889 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.63228891003272 variable naccept equal ${increment} variable naccept equal 421 next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.59829139590045 variable y0 equal ${yi} variable y0 equal 2.77385951253275 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.4987298834302 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.85646014186243 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2167 -2.9871562 -2.6322889 -2.6322889 2168 -2.9871562 -2.6322889 -2.5793617 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 24 x ${x0} set atom 24 x 1.59829139590045 1 settings made for x set atom $i y ${y0} set atom 24 y ${y0} set atom 24 y 2.77385951253275 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.16921079794274 variable y0 equal ${yi} variable y0 equal 1.86157575032777 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.09315902630196 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.93753177306718 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2168 -2.9871562 -2.6322889 -2.5793617 2169 -2.9871562 -2.6322889 -2.614135 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.16921079794274 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.86157575032777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.98550258834353 variable y0 equal ${yi} variable y0 equal 6.47227353588572 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 5.90453726012698 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.54901037947169 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2169 -2.9871562 -2.6322889 -2.614135 2170 -2.9871562 -2.6322889 -2.6215569 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 72 x ${x0} set atom 72 x 5.98550258834353 1 settings made for x set atom $i y ${y0} set atom 72 y ${y0} set atom 72 y 6.47227353588572 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.1789412740728 variable y0 equal ${yi} variable y0 equal 2.78276804658273 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.1320222262403 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.69859794350961 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2170 -2.9871562 -2.6322889 -2.6215569 2171 -2.9871562 -2.6322889 -2.6288003 Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms 2496.6% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.1789412740728 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.78276804658273 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 23 variable x0 equal ${xi} variable x0 equal 1.07343188841992 variable y0 equal ${yi} variable y0 equal 1.85961672446793 set atom $i x ${xnew} set atom 23 x ${xnew} set atom 23 x 1.12613419612103 1 settings made for x set atom $i y ${ynew} set atom 23 y ${ynew} set atom 23 y 1.80544604442185 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2171 -2.9871562 -2.6322889 -2.6288003 2172 -2.9871562 -2.6322889 -2.621496 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 23 x ${x0} set atom 23 x 1.07343188841992 1 settings made for x set atom $i y ${y0} set atom 23 y ${y0} set atom 23 y 1.85961672446793 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.23979663292276 variable y0 equal ${yi} variable y0 equal 5.5713402385016 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.26636731068002 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.62028306668001 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2172 -2.9871562 -2.6322889 -2.621496 2173 -2.9871562 -2.6322889 -2.6236692 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.23979663292276 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.5713402385016 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.05432130693294 variable y0 equal ${yi} variable y0 equal 8.31604041971262 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.01636735795833 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.26556610979135 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2173 -2.9871562 -2.6322889 -2.6236692 2174 -2.9871562 -2.6322889 -2.6203641 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.05432130693294 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.31604041971262 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 10 variable x0 equal ${xi} variable x0 equal 4.77766234516441 variable y0 equal ${yi} variable y0 equal 0.927607925641864 set atom $i x ${xnew} set atom 10 x ${xnew} set atom 10 x 4.77048265575706 1 settings made for x set atom $i y ${ynew} set atom 10 y ${ynew} set atom 10 y 0.924355049836963 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2174 -2.9871562 -2.6322889 -2.6203641 2175 -2.9871562 -2.6322889 -2.6320058 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 10 x ${x0} set atom 10 x 4.77766234516441 1 settings made for x set atom $i y ${y0} set atom 10 y ${y0} set atom 10 y 0.927607925641864 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 0.0324913382529836 variable y0 equal ${yi} variable y0 equal 5.50569564049439 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 0.0636872649192434 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.53414071743683 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2175 -2.9871562 -2.6322889 -2.6320058 2176 -2.9871562 -2.6322889 -2.6306367 Loop time of 3.98159e-05 on 1 procs for 1 steps with 100 atoms 2511.6% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 61 x ${x0} set atom 61 x 0.0324913382529836 1 settings made for x set atom $i y ${y0} set atom 61 y ${y0} set atom 61 y 5.50569564049439 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.98550258834353 variable y0 equal ${yi} variable y0 equal 6.47227353588572 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 6.03180845935336 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.39347034231654 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2176 -2.9871562 -2.6322889 -2.6306367 2177 -2.9871562 -2.6322889 -2.6120081 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 72 x ${x0} set atom 72 x 5.98550258834353 1 settings made for x set atom $i y ${y0} set atom 72 y ${y0} set atom 72 y 6.47227353588572 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.78193971434718 variable y0 equal ${yi} variable y0 equal 8.31736352361736 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.81691999951487 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.36904389776287 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2177 -2.9871562 -2.6322889 -2.6120081 2178 -2.9871562 -2.6322889 -2.6272706 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.78193971434718 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.31736352361736 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 35 variable x0 equal ${xi} variable x0 equal 7.41105691034568 variable y0 equal ${yi} variable y0 equal 1.86285059831208 set atom $i x ${xnew} set atom 35 x ${xnew} set atom 35 x 7.46483083803428 1 settings made for x set atom $i y ${ynew} set atom 35 y ${ynew} set atom 35 y 1.91416575095719 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2178 -2.9871562 -2.6322889 -2.6272706 2179 -2.9871562 -2.6322889 -2.6138827 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 35 x ${x0} set atom 35 x 7.41105691034568 1 settings made for x set atom $i y ${y0} set atom 35 y ${y0} set atom 35 y 1.86285059831208 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 33 variable x0 equal ${xi} variable x0 equal 6.35099447487909 variable y0 equal ${yi} variable y0 equal 1.92307773015564 set atom $i x ${xnew} set atom 33 x ${xnew} set atom 33 x 6.40857841490823 1 settings made for x set atom $i y ${ynew} set atom 33 y ${ynew} set atom 33 y 1.93947959325378 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2179 -2.9871562 -2.6322889 -2.6138827 2180 -2.9871562 -2.6322889 -2.6300536 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 33 x ${x0} set atom 33 x 6.35099447487909 1 settings made for x set atom $i y ${y0} set atom 33 y ${y0} set atom 33 y 1.92307773015564 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.33377490440275 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y 0.0986716747283911 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2180 -2.9871562 -2.6322889 -2.6300536 2181 -2.9871562 -2.6322889 -2.6040488 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.50235789218808 variable y0 equal ${yi} variable y0 equal 3.73372400565278 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.56246399083997 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.82391414208543 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2181 -2.9871562 -2.6322889 -2.6040488 2182 -2.9871562 -2.6322889 -2.5518993 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 51 x ${x0} set atom 51 x 5.50235789218808 1 settings made for x set atom $i y ${y0} set atom 51 y ${y0} set atom 51 y 3.73372400565278 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.68984863638659 variable y0 equal ${yi} variable y0 equal 6.46641751066677 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.71058839440127 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.40961356894009 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2182 -2.9871562 -2.6322889 -2.5518993 2183 -2.9871562 -2.6322889 -2.6201289 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.68984863638659 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.46641751066677 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.131702781107 variable y0 equal ${yi} variable y0 equal 8.31063791431484 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.1170206431408 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.22587324298916 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2183 -2.9871562 -2.6322889 -2.6201289 2184 -2.9871562 -2.6322889 -2.5977447 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 100 x ${x0} set atom 100 x 10.131702781107 1 settings made for x set atom $i y ${y0} set atom 100 y ${y0} set atom 100 y 8.31063791431484 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 37 variable x0 equal ${xi} variable x0 equal 8.45325187602465 variable y0 equal ${yi} variable y0 equal 1.81180926940507 set atom $i x ${xnew} set atom 37 x ${xnew} set atom 37 x 8.45206713834231 1 settings made for x set atom $i y ${ynew} set atom 37 y ${ynew} set atom 37 y 1.71919764659471 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2184 -2.9871562 -2.6322889 -2.5977447 2185 -2.9871562 -2.6322889 -2.572987 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 37 x ${x0} set atom 37 x 8.45325187602465 1 settings made for x set atom $i y ${y0} set atom 37 y ${y0} set atom 37 y 1.81180926940507 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.23979663292276 variable y0 equal ${yi} variable y0 equal 5.5713402385016 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.30447902122842 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.49337648098665 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2185 -2.9871562 -2.6322889 -2.572987 2186 -2.9871562 -2.6322889 -2.5833659 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.23979663292276 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.5713402385016 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 99 variable x0 equal ${xi} variable x0 equal 9.7112571763861 variable y0 equal ${yi} variable y0 equal 7.38156818475986 set atom $i x ${xnew} set atom 99 x ${xnew} set atom 99 x 9.72909265040038 1 settings made for x set atom $i y ${ynew} set atom 99 y ${ynew} set atom 99 y 7.37319054928089 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2186 -2.9871562 -2.6322889 -2.5833659 2187 -2.9871562 -2.6322889 -2.6313097 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 99 x ${x0} set atom 99 x 9.7112571763861 1 settings made for x set atom $i y ${y0} set atom 99 y ${y0} set atom 99 y 7.38156818475986 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.95025718807079 variable y0 equal ${yi} variable y0 equal 0.949378951299518 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 8.04629015325405 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 0.991149731386035 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2187 -2.9871562 -2.6322889 -2.6313097 2188 -2.9871562 -2.6322889 -2.5606987 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.95025718807079 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.949378951299518 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 99 variable x0 equal ${xi} variable x0 equal 9.7112571763861 variable y0 equal ${yi} variable y0 equal 7.38156818475986 set atom $i x ${xnew} set atom 99 x ${xnew} set atom 99 x 9.72629815815566 1 settings made for x set atom $i y ${ynew} set atom 99 y ${ynew} set atom 99 y 7.43253261175418 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2188 -2.9871562 -2.6322889 -2.5606987 2189 -2.9871562 -2.6322889 -2.6230473 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 99 x ${x0} set atom 99 x 9.7112571763861 1 settings made for x set atom $i y ${y0} set atom 99 y ${y0} set atom 99 y 7.38156818475986 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.78193971434718 variable y0 equal ${yi} variable y0 equal 8.31736352361736 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.72285469094401 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.26033793605861 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2189 -2.9871562 -2.6322889 -2.6230473 2190 -2.9871562 -2.6322889 -2.6171205 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.78193971434718 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.31736352361736 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.12744101880885 variable y0 equal ${yi} variable y0 equal 6.56631985441675 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 8.11976422666408 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.57524594799509 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2190 -2.9871562 -2.6322889 -2.6171205 2191 -2.9871562 -2.6322889 -2.6338345 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.63383448170289 variable naccept equal ${increment} variable naccept equal 422 next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.54984512486879 variable y0 equal ${yi} variable y0 equal 3.69442252679001 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.53393265166704 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.68288493914734 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2191 -2.9871562 -2.6338345 -2.6338345 2192 -2.9871562 -2.6338345 -2.6328952 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.54984512486879 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.69442252679001 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.50331240732442 variable y0 equal ${yi} variable y0 equal 7.44483136263156 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.56698740560781 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.52560106840396 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2192 -2.9871562 -2.6338345 -2.6328952 2193 -2.9871562 -2.6338345 -2.5925507 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 95 x ${x0} set atom 95 x 7.50331240732442 1 settings made for x set atom $i y ${y0} set atom 95 y ${y0} set atom 95 y 7.44483136263156 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.15111655909569 variable y0 equal ${yi} variable y0 equal 6.52915453449718 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 9.12499762494118 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.61235633627407 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2193 -2.9871562 -2.6338345 -2.5925507 2194 -2.9871562 -2.6338345 -2.5887344 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 78 x ${x0} set atom 78 x 9.15111655909569 1 settings made for x set atom $i y ${y0} set atom 78 y ${y0} set atom 78 y 6.52915453449718 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.01011228838607 variable y0 equal ${yi} variable y0 equal 4.6700352584736 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.08131275454208 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.58683464878961 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2194 -2.9871562 -2.6338345 -2.5887344 2195 -2.9871562 -2.6338345 -2.6031246 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.01011228838607 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.6700352584736 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 10.7265060384922 variable y0 equal ${yi} variable y0 equal 1.84549867293901 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x 10.7447922309093 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.85953156135149 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2195 -2.9871562 -2.6338345 -2.6031246 2196 -2.9871562 -2.6338345 -2.6342992 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.63429916592371 variable naccept equal ${increment} variable naccept equal 423 next iter jump SELF loop variable i equal ${irandom} variable i equal 74 variable x0 equal ${xi} variable x0 equal 7.04742242375061 variable y0 equal ${yi} variable y0 equal 6.46128811375131 set atom $i x ${xnew} set atom 74 x ${xnew} set atom 74 x 7.13373081961319 1 settings made for x set atom $i y ${ynew} set atom 74 y ${ynew} set atom 74 y 6.41826692358484 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2196 -2.9871562 -2.6342992 -2.6342992 2197 -2.9871562 -2.6342992 -2.5868344 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 74 x ${x0} set atom 74 x 7.04742242375061 1 settings made for x set atom $i y ${y0} set atom 74 y ${y0} set atom 74 y 6.46128811375131 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 84 variable x0 equal ${xi} variable x0 equal 1.63794375538607 variable y0 equal ${yi} variable y0 equal 8.371298693791 set atom $i x ${xnew} set atom 84 x ${xnew} set atom 84 x 1.58315851568957 1 settings made for x set atom $i y ${ynew} set atom 84 y ${ynew} set atom 84 y 8.4696780196577 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2197 -2.9871562 -2.6342992 -2.5868344 2198 -2.9871562 -2.6342992 -2.6105888 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 84 x ${x0} set atom 84 x 1.63794375538607 1 settings made for x set atom $i y ${y0} set atom 84 y ${y0} set atom 84 y 8.371298693791 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.98550258834353 variable y0 equal ${yi} variable y0 equal 6.47227353588572 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 5.90427672822466 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.52109033600321 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2198 -2.9871562 -2.6342992 -2.6105888 2199 -2.9871562 -2.6342992 -2.6267697 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 72 x ${x0} set atom 72 x 5.98550258834353 1 settings made for x set atom $i y ${y0} set atom 72 y ${y0} set atom 72 y 6.47227353588572 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.59001860499163 variable y0 equal ${yi} variable y0 equal 4.68076303357049 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.65504903673907 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.70091630572244 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2199 -2.9871562 -2.6342992 -2.6267697 2200 -2.9871562 -2.6342992 -2.6337751 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.59001860499163 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.68076303357049 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.24420675992527 variable y0 equal ${yi} variable y0 equal 3.73567457957399 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.16867010354557 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.66352042718065 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2200 -2.9871562 -2.6342992 -2.6337751 2201 -2.9871562 -2.6342992 -2.5990786 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.24420675992527 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.73567457957399 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.35422850051785 variable y0 equal ${yi} variable y0 equal 7.41203050937915 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.36143123308087 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.41034705963397 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2201 -2.9871562 -2.6342992 -2.5990786 2202 -2.9871562 -2.6342992 -2.6351018 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.63510179114588 variable naccept equal ${increment} variable naccept equal 424 next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.05432130693294 variable y0 equal ${yi} variable y0 equal 8.31604041971262 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.08702215551235 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.32450740255411 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2202 -2.9871562 -2.6351018 -2.6351018 2203 -2.9871562 -2.6351018 -2.6286257 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.05432130693294 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.31604041971262 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.58555344500963 variable y0 equal ${yi} variable y0 equal 5.67622888033586 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.56843688645784 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.60343744700151 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2203 -2.9871562 -2.6351018 -2.6286257 2204 -2.9871562 -2.6351018 -2.6400046 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.64000457866274 variable naccept equal ${increment} variable naccept equal 425 next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.10495061277249 variable y0 equal ${yi} variable y0 equal 4.66507560366557 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.17066257594922 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.71952209824488 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2204 -2.9871562 -2.6400046 -2.6400046 2205 -2.9871562 -2.6400046 -2.6139619 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 56 x ${x0} set atom 56 x 8.10495061277249 1 settings made for x set atom $i y ${y0} set atom 56 y ${y0} set atom 56 y 4.66507560366557 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.46753388483297 variable y0 equal ${yi} variable y0 equal 0.0335806965827942 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.51590118248235 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y -0.0645892143249512 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2205 -2.9871562 -2.6400046 -2.6139619 2206 -2.9871562 -2.6400046 -2.6259376 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.46753388483297 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.0335806965827942 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.6009168970563 variable y0 equal ${yi} variable y0 equal 0.937610264528124 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.55396683096667 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.992782159555285 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2206 -2.9871562 -2.6400046 -2.6259376 2207 -2.9871562 -2.6400046 -2.6252524 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.6009168970563 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.937610264528124 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 75 variable x0 equal ${xi} variable x0 equal 7.52148601848851 variable y0 equal ${yi} variable y0 equal 5.57813051884371 set atom $i x ${xnew} set atom 75 x ${xnew} set atom 75 x 7.51376069624196 1 settings made for x set atom $i y ${ynew} set atom 75 y ${ynew} set atom 75 y 5.54271740858751 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2207 -2.9871562 -2.6400046 -2.6252524 2208 -2.9871562 -2.6400046 -2.6371516 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 75 x ${x0} set atom 75 x 7.52148601848851 1 settings made for x set atom $i y ${y0} set atom 75 y ${y0} set atom 75 y 5.57813051884371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 99 variable x0 equal ${xi} variable x0 equal 9.7112571763861 variable y0 equal ${yi} variable y0 equal 7.38156818475986 set atom $i x ${xnew} set atom 99 x ${xnew} set atom 99 x 9.76883873222945 1 settings made for x set atom $i y ${ynew} set atom 99 y ${ynew} set atom 99 y 7.34022552099491 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2208 -2.9871562 -2.6400046 -2.6371516 2209 -2.9871562 -2.6400046 -2.6297792 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 99 x ${x0} set atom 99 x 9.7112571763861 1 settings made for x set atom $i y ${y0} set atom 99 y ${y0} set atom 99 y 7.38156818475986 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.72996987302732 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.70884538048669 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2209 -2.9871562 -2.6400046 -2.6297792 2210 -2.9871562 -2.6400046 -2.6345707 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.05432130693294 variable y0 equal ${yi} variable y0 equal 8.31604041971262 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 7.99520061611034 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.29110680736597 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2210 -2.9871562 -2.6400046 -2.6345707 2211 -2.9871562 -2.6400046 -2.6297228 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.05432130693294 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.31604041971262 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 0.0324913382529836 variable y0 equal ${yi} variable y0 equal 5.50569564049439 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 0.0358376145362478 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.43615223114686 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2211 -2.9871562 -2.6400046 -2.6297228 2212 -2.9871562 -2.6400046 -2.6189536 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 61 x ${x0} set atom 61 x 0.0324913382529836 1 settings made for x set atom $i y ${y0} set atom 61 y ${y0} set atom 61 y 5.50569564049439 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.68984863638659 variable y0 equal ${yi} variable y0 equal 6.46641751066677 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.64926711201449 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.42752619520656 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2212 -2.9871562 -2.6400046 -2.6189536 2213 -2.9871562 -2.6400046 -2.6285041 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.68984863638659 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.46641751066677 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.57288145302412 variable y0 equal ${yi} variable y0 equal 3.68945432467593 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.54570526360151 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.7519022302164 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2213 -2.9871562 -2.6400046 -2.6285041 2214 -2.9871562 -2.6400046 -2.6342096 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 59 x ${x0} set atom 59 x 9.57288145302412 1 settings made for x set atom $i y ${y0} set atom 59 y ${y0} set atom 59 y 3.68945432467593 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.67618905504179 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.72777192944451 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2214 -2.9871562 -2.6400046 -2.6342096 2215 -2.9871562 -2.6400046 -2.6182832 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 79 variable x0 equal ${xi} variable x0 equal 9.66362923859236 variable y0 equal ${yi} variable y0 equal 5.65359488671022 set atom $i x ${xnew} set atom 79 x ${xnew} set atom 79 x 9.59947838066694 1 settings made for x set atom $i y ${ynew} set atom 79 y ${ynew} set atom 79 y 5.67939071600633 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2215 -2.9871562 -2.6400046 -2.6182832 2216 -2.9871562 -2.6400046 -2.6191633 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 79 x ${x0} set atom 79 x 9.66362923859236 1 settings made for x set atom $i y ${y0} set atom 79 y ${y0} set atom 79 y 5.65359488671022 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 84 variable x0 equal ${xi} variable x0 equal 1.63794375538607 variable y0 equal ${yi} variable y0 equal 8.371298693791 set atom $i x ${xnew} set atom 84 x ${xnew} set atom 84 x 1.62403216242571 1 settings made for x set atom $i y ${ynew} set atom 84 y ${ynew} set atom 84 y 8.29291338838634 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2216 -2.9871562 -2.6400046 -2.6191633 2217 -2.9871562 -2.6400046 -2.6267658 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 84 x ${x0} set atom 84 x 1.63794375538607 1 settings made for x set atom $i y ${y0} set atom 84 y ${y0} set atom 84 y 8.371298693791 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.1789412740728 variable y0 equal ${yi} variable y0 equal 2.78276804658273 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.1167970065137 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.82928897115091 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2217 -2.9871562 -2.6400046 -2.6267658 2218 -2.9871562 -2.6400046 -2.6275431 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.1789412740728 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.78276804658273 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.41745940843489 variable y0 equal ${yi} variable y0 equal 5.54884942715364 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.33048575321104 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.61187879984575 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2218 -2.9871562 -2.6400046 -2.6275431 2219 -2.9871562 -2.6400046 -2.600824 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.41745940843489 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.54884942715364 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.46753388483297 variable y0 equal ${yi} variable y0 equal 0.0335806965827942 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.51125212747823 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y 0.0327272295951843 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2219 -2.9871562 -2.6400046 -2.600824 2220 -2.9871562 -2.6400046 -2.6316097 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.46753388483297 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.0335806965827942 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.545649071136379 variable y0 equal ${yi} variable y0 equal 2.77431966039041 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.4954539732131 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.67961403104166 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2220 -2.9871562 -2.6400046 -2.6316097 2221 -2.9871562 -2.6400046 -2.6108998 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.545649071136379 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.77431966039041 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.69106418092681 variable y0 equal ${yi} variable y0 equal 0.920749815214004 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.75544536312057 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 0.859600444543685 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2221 -2.9871562 -2.6400046 -2.6108998 2222 -2.9871562 -2.6400046 -2.6087973 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 6 x ${x0} set atom 6 x 2.69106418092681 1 settings made for x set atom $i y ${y0} set atom 6 y ${y0} set atom 6 y 0.920749815214004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.01011228838607 variable y0 equal ${yi} variable y0 equal 4.6700352584736 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.00678724327727 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.66030267828866 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2222 -2.9871562 -2.6400046 -2.6087973 2223 -2.9871562 -2.6400046 -2.6405961 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.64059614290171 variable naccept equal ${increment} variable naccept equal 426 next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.11815181096249 variable y0 equal ${yi} variable y0 equal 7.44427507248187 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.1602623256033 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.49009318676257 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2223 -2.9871562 -2.6405961 -2.6405961 2224 -2.9871562 -2.6405961 -2.6305458 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.11815181096249 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.44427507248187 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 49 variable x0 equal ${xi} variable x0 equal 4.37311956961365 variable y0 equal ${yi} variable y0 equal 3.73546738190782 set atom $i x ${xnew} set atom 49 x ${xnew} set atom 49 x 4.40494968970032 1 settings made for x set atom $i y ${ynew} set atom 49 y ${ynew} set atom 49 y 3.70771776003969 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2224 -2.9871562 -2.6405961 -2.6305458 2225 -2.9871562 -2.6405961 -2.6364564 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 49 x ${x0} set atom 49 x 4.37311956961365 1 settings made for x set atom $i y ${y0} set atom 49 y ${y0} set atom 49 y 3.73546738190782 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 87 variable x0 equal ${xi} variable x0 equal 3.20964491128483 variable y0 equal ${yi} variable y0 equal 7.4096286090877 set atom $i x ${xnew} set atom 87 x ${xnew} set atom 87 x 3.1577268099741 1 settings made for x set atom $i y ${ynew} set atom 87 y ${ynew} set atom 87 y 7.34258509006762 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2225 -2.9871562 -2.6405961 -2.6364564 2226 -2.9871562 -2.6405961 -2.5943055 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 87 x ${x0} set atom 87 x 3.20964491128483 1 settings made for x set atom $i y ${y0} set atom 87 y ${y0} set atom 87 y 7.4096286090877 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.50235789218808 variable y0 equal ${yi} variable y0 equal 3.73372400565278 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.42922221818829 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.64031273884904 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2226 -2.9871562 -2.6405961 -2.5943055 2227 -2.9871562 -2.6405961 -2.6410756 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.64107558412428 variable naccept equal ${increment} variable naccept equal 427 next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.2036228899023 variable y0 equal ${yi} variable y0 equal 4.57710585946008 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.105140138056 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.55639567727014 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2227 -2.9871562 -2.6410756 -2.6410756 2228 -2.9871562 -2.6410756 -2.6188203 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 60 x ${x0} set atom 60 x 10.2036228899023 1 settings made for x set atom $i y ${y0} set atom 60 y ${y0} set atom 60 y 4.57710585946008 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.16288858372719 variable y0 equal ${yi} variable y0 equal 4.74496568793221 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.24345780331642 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.75250763052865 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2228 -2.9871562 -2.6410756 -2.6188203 2229 -2.9871562 -2.6410756 -2.6211932 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 58 x ${x0} set atom 58 x 9.16288858372719 1 settings made for x set atom $i y ${y0} set atom 58 y ${y0} set atom 58 y 4.74496568793221 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 6.99553199091598 variable y0 equal ${yi} variable y0 equal 8.37164120592174 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 7.00650296488449 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.36708772100505 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2229 -2.9871562 -2.6410756 -2.6211932 2230 -2.9871562 -2.6410756 -2.6396451 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 6.99553199091598 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.37164120592174 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 10 variable x0 equal ${xi} variable x0 equal 4.77766234516441 variable y0 equal ${yi} variable y0 equal 0.927607925641864 set atom $i x ${xnew} set atom 10 x ${xnew} set atom 10 x 4.76744719385444 1 settings made for x set atom $i y ${ynew} set atom 10 y ${ynew} set atom 10 y 1.02594481300148 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2230 -2.9871562 -2.6410756 -2.6396451 2231 -2.9871562 -2.6410756 -2.6261878 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 10 x ${x0} set atom 10 x 4.77766234516441 1 settings made for x set atom $i y ${y0} set atom 10 y ${y0} set atom 10 y 0.927607925641864 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 79 variable x0 equal ${xi} variable x0 equal 9.66362923859236 variable y0 equal ${yi} variable y0 equal 5.65359488671022 set atom $i x ${xnew} set atom 79 x ${xnew} set atom 79 x 9.72032564161894 1 settings made for x set atom $i y ${ynew} set atom 79 y ${ynew} set atom 79 y 5.75145021622377 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2231 -2.9871562 -2.6410756 -2.6261878 2232 -2.9871562 -2.6410756 -2.5735543 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 79 x ${x0} set atom 79 x 9.66362923859236 1 settings made for x set atom $i y ${y0} set atom 79 y ${y0} set atom 79 y 5.65359488671022 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.10495061277249 variable y0 equal ${yi} variable y0 equal 4.66507560366557 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.05451768039563 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.66938821429179 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2232 -2.9871562 -2.6410756 -2.5735543 2233 -2.9871562 -2.6410756 -2.6395835 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 56 x ${x0} set atom 56 x 8.10495061277249 1 settings made for x set atom $i y ${y0} set atom 56 y ${y0} set atom 56 y 4.66507560366557 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 8 variable x0 equal ${xi} variable x0 equal 3.72890197554714 variable y0 equal ${yi} variable y0 equal 1.0604893166903 set atom $i x ${xnew} set atom 8 x ${xnew} set atom 8 x 3.78728452244884 1 settings made for x set atom $i y ${ynew} set atom 8 y ${ynew} set atom 8 y 1.0832007367495 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2233 -2.9871562 -2.6410756 -2.6395835 2234 -2.9871562 -2.6410756 -2.6247899 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 8 x ${x0} set atom 8 x 3.72890197554714 1 settings made for x set atom $i y ${y0} set atom 8 y ${y0} set atom 8 y 1.0604893166903 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.56843688645784 variable y0 equal ${yi} variable y0 equal 5.60343744700151 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.54218665519182 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.53261637633043 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2234 -2.9871562 -2.6410756 -2.6247899 2235 -2.9871562 -2.6410756 -2.6165417 Loop time of 8.39233e-05 on 1 procs for 1 steps with 100 atoms 1191.6% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.56843688645784 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.60343744700151 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.80759401837473 variable y0 equal ${yi} variable y0 equal 4.6440585290806 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.81639500180369 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.66692263239786 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2235 -2.9871562 -2.6410756 -2.6165417 2236 -2.9871562 -2.6410756 -2.6386172 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.80759401837473 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.6440585290806 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 38 variable x0 equal ${xi} variable x0 equal 9.09958864171057 variable y0 equal ${yi} variable y0 equal 2.75573046180108 set atom $i x ${xnew} set atom 38 x ${xnew} set atom 38 x 9.03172226864844 1 settings made for x set atom $i y ${ynew} set atom 38 y ${ynew} set atom 38 y 2.84891916486123 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2236 -2.9871562 -2.6410756 -2.6386172 2237 -2.9871562 -2.6410756 -2.611936 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 38 x ${x0} set atom 38 x 9.09958864171057 1 settings made for x set atom $i y ${y0} set atom 38 y ${y0} set atom 38 y 2.75573046180108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.525174053111937 variable y0 equal ${yi} variable y0 equal 0.894475575197066 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.581514568725493 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.965820964086379 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2237 -2.9871562 -2.6410756 -2.611936 2238 -2.9871562 -2.6410756 -2.6300769 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.525174053111937 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.894475575197066 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 33 variable x0 equal ${xi} variable x0 equal 6.35099447487909 variable y0 equal ${yi} variable y0 equal 1.92307773015564 set atom $i x ${xnew} set atom 33 x ${xnew} set atom 33 x 6.44059519290048 1 settings made for x set atom $i y ${ynew} set atom 33 y ${ynew} set atom 33 y 1.90739241025513 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2238 -2.9871562 -2.6410756 -2.6300769 2239 -2.9871562 -2.6410756 -2.6357043 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 33 x ${x0} set atom 33 x 6.35099447487909 1 settings made for x set atom $i y ${y0} set atom 33 y ${y0} set atom 33 y 1.92307773015564 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 74 variable x0 equal ${xi} variable x0 equal 7.04742242375061 variable y0 equal ${yi} variable y0 equal 6.46128811375131 set atom $i x ${xnew} set atom 74 x ${xnew} set atom 74 x 6.95081213989899 1 settings made for x set atom $i y ${ynew} set atom 74 y ${ynew} set atom 74 y 6.44733249680032 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2239 -2.9871562 -2.6410756 -2.6357043 2240 -2.9871562 -2.6410756 -2.6241654 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 74 x ${x0} set atom 74 x 7.04742242375061 1 settings made for x set atom $i y ${y0} set atom 74 y ${y0} set atom 74 y 6.46128811375131 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.20556546488 variable y0 equal ${yi} variable y0 equal 0.955296619642108 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.2960436228771 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.934980066526263 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2240 -2.9871562 -2.6410756 -2.6241654 2241 -2.9871562 -2.6410756 -2.6150569 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 20 x ${x0} set atom 20 x 10.20556546488 1 settings made for x set atom $i y ${y0} set atom 20 y ${y0} set atom 20 y 0.955296619642108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.95025718807079 variable y0 equal ${yi} variable y0 equal 0.949378951299518 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.99767959712841 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 0.893401058423847 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2241 -2.9871562 -2.6410756 -2.6150569 2242 -2.9871562 -2.6410756 -2.6359831 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.95025718807079 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.949378951299518 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.6009168970563 variable y0 equal ${yi} variable y0 equal 0.937610264528124 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.60156400084277 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 1.000195189226 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2242 -2.9871562 -2.6410756 -2.6359831 2243 -2.9871562 -2.6410756 -2.6306166 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.6009168970563 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.937610264528124 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.31596373716261 variable y0 equal ${yi} variable y0 equal 1.83819601914949 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.35584142604734 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.74454156539506 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2243 -2.9871562 -2.6410756 -2.6306166 2244 -2.9871562 -2.6410756 -2.6098522 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 31 x ${x0} set atom 31 x 5.31596373716261 1 settings made for x set atom $i y ${y0} set atom 31 y ${y0} set atom 31 y 1.83819601914949 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.54984512486879 variable y0 equal ${yi} variable y0 equal 3.69442252679001 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.51070425668184 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.69789800210129 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2244 -2.9871562 -2.6410756 -2.6098522 2245 -2.9871562 -2.6410756 -2.6354104 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.54984512486879 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.69442252679001 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 10.7447922309093 variable y0 equal ${yi} variable y0 equal 1.85953156135149 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x 10.6484573085956 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.82453149936266 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2245 -2.9871562 -2.6410756 -2.6354104 2246 -2.9871562 -2.6410756 -2.625782 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 21 x ${x0} set atom 21 x 10.7447922309093 1 settings made for x set atom $i y ${y0} set atom 21 y ${y0} set atom 21 y 1.85953156135149 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.56843688645784 variable y0 equal ${yi} variable y0 equal 5.60343744700151 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.60829929271165 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.58365793173509 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2246 -2.9871562 -2.6410756 -2.625782 2247 -2.9871562 -2.6410756 -2.6367417 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.56843688645784 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.60343744700151 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 8 variable x0 equal ${xi} variable x0 equal 3.72890197554714 variable y0 equal ${yi} variable y0 equal 1.0604893166903 set atom $i x ${xnew} set atom 8 x ${xnew} set atom 8 x 3.70386859694607 1 settings made for x set atom $i y ${ynew} set atom 8 y ${ynew} set atom 8 y 1.14530382941994 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2247 -2.9871562 -2.6410756 -2.6367417 2248 -2.9871562 -2.6410756 -2.6074789 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 8 x ${x0} set atom 8 x 3.72890197554714 1 settings made for x set atom $i y ${y0} set atom 8 y ${y0} set atom 8 y 1.0604893166903 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 99 variable x0 equal ${xi} variable x0 equal 9.7112571763861 variable y0 equal ${yi} variable y0 equal 7.38156818475986 set atom $i x ${xnew} set atom 99 x ${xnew} set atom 99 x 9.74028841732619 1 settings made for x set atom $i y ${ynew} set atom 99 y ${ynew} set atom 99 y 7.37644991007114 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2248 -2.9871562 -2.6410756 -2.6074789 2249 -2.9871562 -2.6410756 -2.6389771 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 99 x ${x0} set atom 99 x 9.7112571763861 1 settings made for x set atom $i y ${y0} set atom 99 y ${y0} set atom 99 y 7.38156818475986 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.36383705535795 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y 0.0853260159492468 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2249 -2.9871562 -2.6410756 -2.6389771 2250 -2.9871562 -2.6410756 -2.6144278 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.59001860499163 variable y0 equal ${yi} variable y0 equal 4.68076303357049 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.55247208952685 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.69970897787972 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2250 -2.9871562 -2.6410756 -2.6144278 2251 -2.9871562 -2.6410756 -2.6323976 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.59001860499163 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.68076303357049 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.51557409285624 variable y0 equal ${yi} variable y0 equal 3.75448479218613 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.4643855285557 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.79889360232483 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2251 -2.9871562 -2.6410756 -2.6323976 2252 -2.9871562 -2.6410756 -2.6412517 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.64125166841023 variable naccept equal ${increment} variable naccept equal 428 next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.59829139590045 variable y0 equal ${yi} variable y0 equal 2.77385951253275 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.65743353247424 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.83319823714594 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2252 -2.9871562 -2.6412517 -2.6412517 2253 -2.9871562 -2.6412517 -2.6344778 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 24 x ${x0} set atom 24 x 1.59829139590045 1 settings made for x set atom $i y ${y0} set atom 24 y ${y0} set atom 24 y 2.77385951253275 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.98550258834353 variable y0 equal ${yi} variable y0 equal 6.47227353588572 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 5.89260969121447 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.43967743650904 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2253 -2.9871562 -2.6412517 -2.6344778 2254 -2.9871562 -2.6412517 -2.6260826 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 72 x ${x0} set atom 72 x 5.98550258834353 1 settings made for x set atom $i y ${y0} set atom 72 y ${y0} set atom 72 y 6.47227353588572 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.80623258868343 variable y0 equal ${yi} variable y0 equal 6.50073292986383 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.84129056254512 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.55281087891092 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2254 -2.9871562 -2.6412517 -2.6260826 2255 -2.9871562 -2.6412517 -2.6253133 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 68 x ${x0} set atom 68 x 3.80623258868343 1 settings made for x set atom $i y ${y0} set atom 68 y ${y0} set atom 68 y 6.50073292986383 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 6.99553199091598 variable y0 equal ${yi} variable y0 equal 8.37164120592174 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 7.09351496973678 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.46499019779262 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2255 -2.9871562 -2.6412517 -2.6253133 2256 -2.9871562 -2.6412517 -2.5980626 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 6.99553199091598 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.37164120592174 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.59829139590045 variable y0 equal ${yi} variable y0 equal 2.77385951253275 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.53530735850116 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.80488238307337 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2256 -2.9871562 -2.6412517 -2.5980626 2257 -2.9871562 -2.6412517 -2.6260632 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 24 x ${x0} set atom 24 x 1.59829139590045 1 settings made for x set atom $i y ${y0} set atom 24 y ${y0} set atom 24 y 2.77385951253275 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.13902074734077 variable y0 equal ${yi} variable y0 equal 9.29444277990191 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 2.1029408518444 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y 9.37131454456179 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2257 -2.9871562 -2.6412517 -2.6260632 2258 -2.9871562 -2.6412517 -2.6321861 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 2.13902074734077 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 9.29444277990191 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.00678724327727 variable y0 equal ${yi} variable y0 equal 4.66030267828866 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 6.96033571043654 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.57169719094201 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2258 -2.9871562 -2.6412517 -2.6321861 2259 -2.9871562 -2.6412517 -2.5889069 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.00678724327727 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.66030267828866 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.20556546488 variable y0 equal ${yi} variable y0 equal 0.955296619642108 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.1851203922291 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.955667336690753 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2259 -2.9871562 -2.6412517 -2.5889069 2260 -2.9871562 -2.6412517 -2.6426885 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.64268845966206 variable naccept equal ${increment} variable naccept equal 429 next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.92034897763721 variable y0 equal ${yi} variable y0 equal 2.80042437287667 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.8927123780965 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.81548951836922 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2260 -2.9871562 -2.6426885 -2.6426885 2261 -2.9871562 -2.6426885 -2.6339392 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 32 x ${x0} set atom 32 x 5.92034897763721 1 settings made for x set atom $i y ${y0} set atom 32 y ${y0} set atom 32 y 2.80042437287667 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 10.7447922309093 variable y0 equal ${yi} variable y0 equal 1.85953156135149 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x 10.7294097741298 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.88619456670351 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2261 -2.9871562 -2.6426885 -2.6339392 2262 -2.9871562 -2.6426885 -2.6416636 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 21 x ${x0} set atom 21 x 10.7447922309093 1 settings made for x set atom $i y ${y0} set atom 21 y ${y0} set atom 21 y 1.85953156135149 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.28699727455045 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y -0.0275209188461329 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2262 -2.9871562 -2.6426885 -2.6416636 2263 -2.9871562 -2.6426885 -2.6379106 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.80623258868343 variable y0 equal ${yi} variable y0 equal 6.50073292986383 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.85176371852047 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.41572018400659 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2263 -2.9871562 -2.6426885 -2.6379106 2264 -2.9871562 -2.6426885 -2.6333702 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 68 x ${x0} set atom 68 x 3.80623258868343 1 settings made for x set atom $i y ${y0} set atom 68 y ${y0} set atom 68 y 6.50073292986383 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 37 variable x0 equal ${xi} variable x0 equal 8.45325187602465 variable y0 equal ${yi} variable y0 equal 1.81180926940507 set atom $i x ${xnew} set atom 37 x ${xnew} set atom 37 x 8.36870536961977 1 settings made for x set atom $i y ${ynew} set atom 37 y ${ynew} set atom 37 y 1.86362109563417 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2264 -2.9871562 -2.6426885 -2.6333702 2265 -2.9871562 -2.6426885 -2.5900465 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 37 x ${x0} set atom 37 x 8.45325187602465 1 settings made for x set atom $i y ${y0} set atom 37 y ${y0} set atom 37 y 1.81180926940507 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.59001860499163 variable y0 equal ${yi} variable y0 equal 4.68076303357049 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.66030511736651 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.60460476035043 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2265 -2.9871562 -2.6426885 -2.5900465 2266 -2.9871562 -2.6426885 -2.6323902 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.59001860499163 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.68076303357049 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 82 variable x0 equal ${xi} variable x0 equal 0.480583484569456 variable y0 equal ${yi} variable y0 equal 8.38369611419733 set atom $i x ${xnew} set atom 82 x ${xnew} set atom 82 x 0.429380102554228 1 settings made for x set atom $i y ${ynew} set atom 82 y ${ynew} set atom 82 y 8.43213272012766 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2266 -2.9871562 -2.6426885 -2.6323902 2267 -2.9871562 -2.6426885 -2.6333522 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 82 x ${x0} set atom 82 x 0.480583484569456 1 settings made for x set atom $i y ${y0} set atom 82 y ${y0} set atom 82 y 8.38369611419733 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.59829139590045 variable y0 equal ${yi} variable y0 equal 2.77385951253275 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.66071896433612 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.77580393525461 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2267 -2.9871562 -2.6426885 -2.6333522 2268 -2.9871562 -2.6426885 -2.6366772 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 24 x ${x0} set atom 24 x 1.59829139590045 1 settings made for x set atom $i y ${y0} set atom 24 y ${y0} set atom 24 y 2.77385951253275 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 82 variable x0 equal ${xi} variable x0 equal 0.480583484569456 variable y0 equal ${yi} variable y0 equal 8.38369611419733 set atom $i x ${xnew} set atom 82 x ${xnew} set atom 82 x 0.538078375259306 1 settings made for x set atom $i y ${ynew} set atom 82 y ${ynew} set atom 82 y 8.47642007984217 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2268 -2.9871562 -2.6426885 -2.6366772 2269 -2.9871562 -2.6426885 -2.6035773 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 82 x ${x0} set atom 82 x 0.480583484569456 1 settings made for x set atom $i y ${y0} set atom 82 y ${y0} set atom 82 y 8.38369611419733 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 79 variable x0 equal ${xi} variable x0 equal 9.66362923859236 variable y0 equal ${yi} variable y0 equal 5.65359488671022 set atom $i x ${xnew} set atom 79 x ${xnew} set atom 79 x 9.60544870375273 1 settings made for x set atom $i y ${ynew} set atom 79 y ${ynew} set atom 79 y 5.60880309288698 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2269 -2.9871562 -2.6426885 -2.6035773 2270 -2.9871562 -2.6426885 -2.629957 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 79 x ${x0} set atom 79 x 9.66362923859236 1 settings made for x set atom $i y ${y0} set atom 79 y ${y0} set atom 79 y 5.65359488671022 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 10 variable x0 equal ${xi} variable x0 equal 4.77766234516441 variable y0 equal ${yi} variable y0 equal 0.927607925641864 set atom $i x ${xnew} set atom 10 x ${xnew} set atom 10 x 4.86486456035911 1 settings made for x set atom $i y ${ynew} set atom 10 y ${ynew} set atom 10 y 1.01032383035454 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2270 -2.9871562 -2.6426885 -2.629957 2271 -2.9871562 -2.6426885 -2.6019734 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 10 x ${x0} set atom 10 x 4.77766234516441 1 settings made for x set atom $i y ${y0} set atom 10 y ${y0} set atom 10 y 0.927607925641864 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.26565549770261 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y -0.0675253987312342 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2271 -2.9871562 -2.6426885 -2.6019734 2272 -2.9871562 -2.6426885 -2.6204816 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.45467952568741 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.54700359051425 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2272 -2.9871562 -2.6426885 -2.6204816 2273 -2.9871562 -2.6426885 -2.6201268 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.31533217509003 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.51822422688205 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2273 -2.9871562 -2.6426885 -2.6201268 2274 -2.9871562 -2.6426885 -2.6341932 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 98 variable x0 equal ${xi} variable x0 equal 9.09545654971154 variable y0 equal ${yi} variable y0 equal 8.37382508434351 set atom $i x ${xnew} set atom 98 x ${xnew} set atom 98 x 9.01535943467172 1 settings made for x set atom $i y ${ynew} set atom 98 y ${ynew} set atom 98 y 8.3680972448736 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2274 -2.9871562 -2.6426885 -2.6341932 2275 -2.9871562 -2.6426885 -2.6165131 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 98 x ${x0} set atom 98 x 9.09545654971154 1 settings made for x set atom $i y ${y0} set atom 98 y ${y0} set atom 98 y 8.37382508434351 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 0.0324913382529836 variable y0 equal ${yi} variable y0 equal 5.50569564049439 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x -0.0266764163971324 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.57652953808503 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2275 -2.9871562 -2.6426885 -2.6165131 2276 -2.9871562 -2.6426885 -2.6354656 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 61 x ${x0} set atom 61 x 0.0324913382529836 1 settings made for x set atom $i y ${y0} set atom 61 y ${y0} set atom 61 y 5.50569564049439 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.1789412740728 variable y0 equal ${yi} variable y0 equal 2.78276804658273 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.1949820045492 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.79717249842981 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2276 -2.9871562 -2.6426885 -2.6354656 2277 -2.9871562 -2.6426885 -2.6384679 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.1789412740728 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.78276804658273 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 87 variable x0 equal ${xi} variable x0 equal 3.20964491128483 variable y0 equal ${yi} variable y0 equal 7.4096286090877 set atom $i x ${xnew} set atom 87 x ${xnew} set atom 87 x 3.21955398082295 1 settings made for x set atom $i y ${ynew} set atom 87 y ${ynew} set atom 87 y 7.40080375995898 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2277 -2.9871562 -2.6426885 -2.6384679 2278 -2.9871562 -2.6426885 -2.6431841 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.64318405115012 variable naccept equal ${increment} variable naccept equal 430 next iter jump SELF loop variable i equal ${irandom} variable i equal 17 variable x0 equal ${xi} variable x0 equal 8.49737423816149 variable y0 equal ${yi} variable y0 equal 9.2278668593201 set atom $i x ${xnew} set atom 17 x ${xnew} set atom 17 x 8.56200896659319 1 settings made for x set atom $i y ${ynew} set atom 17 y ${ynew} set atom 17 y 9.2929022978577 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2278 -2.9871562 -2.6431841 -2.6431841 2279 -2.9871562 -2.6431841 -2.6450092 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.64500919483601 variable naccept equal ${increment} variable naccept equal 431 next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.94641846377841 variable y0 equal ${yi} variable y0 equal 4.67712874764368 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 6.04491950232974 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.65286417359278 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2279 -2.9871562 -2.6450092 -2.6450092 2280 -2.9871562 -2.6450092 -2.6061872 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 5.94641846377841 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.67712874764368 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.18523547410527 variable y0 equal ${yi} variable y0 equal 1.96640520474976 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.26790070294896 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 1.87084032676285 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2280 -2.9871562 -2.6450092 -2.6061872 2281 -2.9871562 -2.6450092 -2.6064393 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 27 x ${x0} set atom 27 x 3.18523547410527 1 settings made for x set atom $i y ${y0} set atom 27 y ${y0} set atom 27 y 1.96640520474976 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 73 variable x0 equal ${xi} variable x0 equal 6.49922751902657 variable y0 equal ${yi} variable y0 equal 5.52039463465411 set atom $i x ${xnew} set atom 73 x ${xnew} set atom 73 x 6.49270002364235 1 settings made for x set atom $i y ${ynew} set atom 73 y ${ynew} set atom 73 y 5.51694749539096 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2281 -2.9871562 -2.6450092 -2.6064393 2282 -2.9871562 -2.6450092 -2.6445471 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.64454709192047 variable naccept equal ${increment} variable naccept equal 432 next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.69106418092681 variable y0 equal ${yi} variable y0 equal 0.920749815214004 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.70520672996474 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 1.01218267272743 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2282 -2.9871562 -2.6445471 -2.6445471 2283 -2.9871562 -2.6445471 -2.6362693 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 6 x ${x0} set atom 6 x 2.69106418092681 1 settings made for x set atom $i y ${y0} set atom 6 y ${y0} set atom 6 y 0.920749815214004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.94641846377841 variable y0 equal ${yi} variable y0 equal 4.67712874764368 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 5.91179985959521 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.6605473672764 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2283 -2.9871562 -2.6445471 -2.6362693 2284 -2.9871562 -2.6445471 -2.6411967 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 5.94641846377841 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.67712874764368 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.82160441517171 variable y0 equal ${yi} variable y0 equal 8.38617150701579 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.9014171087676 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.39379937566813 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2284 -2.9871562 -2.6445471 -2.6411967 2285 -2.9871562 -2.6445471 -2.6243639 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.82160441517171 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.38617150701579 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.42922221818829 variable y0 equal ${yi} variable y0 equal 3.64031273884904 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.36596104303265 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.57719696326387 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2285 -2.9871562 -2.6445471 -2.6243639 2286 -2.9871562 -2.6445471 -2.5743396 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 51 x ${x0} set atom 51 x 5.42922221818829 1 settings made for x set atom $i y ${y0} set atom 51 y ${y0} set atom 51 y 3.64031273884904 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.11356125195676 variable y0 equal ${yi} variable y0 equal 3.71681254668367 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 1.05011377652341 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.71356597705019 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2286 -2.9871562 -2.6445471 -2.5743396 2287 -2.9871562 -2.6445471 -2.6432544 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 43 x ${x0} set atom 43 x 1.11356125195676 1 settings made for x set atom $i y ${y0} set atom 43 y ${y0} set atom 43 y 3.71681254668367 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 93 variable x0 equal ${xi} variable x0 equal 6.45546932934839 variable y0 equal ${yi} variable y0 equal 7.46753717985414 set atom $i x ${xnew} set atom 93 x ${xnew} set atom 93 x 6.4858426523121 1 settings made for x set atom $i y ${ynew} set atom 93 y ${ynew} set atom 93 y 7.56322861042283 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2287 -2.9871562 -2.6445471 -2.6432544 2288 -2.9871562 -2.6445471 -2.6092639 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 93 x ${x0} set atom 93 x 6.45546932934839 1 settings made for x set atom $i y ${y0} set atom 93 y ${y0} set atom 93 y 7.46753717985414 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.16921079794274 variable y0 equal ${yi} variable y0 equal 1.86157575032777 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.16208166519509 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.92145010612077 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2288 -2.9871562 -2.6445471 -2.6092639 2289 -2.9871562 -2.6445471 -2.6390355 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.16921079794274 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.86157575032777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.89040735601722 variable y0 equal ${yi} variable y0 equal 6.45623155371179 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.89226795076667 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.38869155184259 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2289 -2.9871562 -2.6445471 -2.6390355 2290 -2.9871562 -2.6445471 -2.6295386 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.89040735601722 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.45623155371179 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.71316728790235 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.68624610060617 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2290 -2.9871562 -2.6445471 -2.6295386 2291 -2.9871562 -2.6445471 -2.6427901 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.32252682526322 variable y0 equal ${yi} variable y0 equal 7.38917808857226 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.29467339594575 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.36059635010028 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2291 -2.9871562 -2.6445471 -2.6427901 2292 -2.9871562 -2.6445471 -2.6380362 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.32252682526322 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.38917808857226 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 23 variable x0 equal ${xi} variable x0 equal 1.07343188841992 variable y0 equal ${yi} variable y0 equal 1.85961672446793 set atom $i x ${xnew} set atom 23 x ${xnew} set atom 23 x 1.08819289525204 1 settings made for x set atom $i y ${ynew} set atom 23 y ${ynew} set atom 23 y 1.87450131557053 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2292 -2.9871562 -2.6445471 -2.6380362 2293 -2.9871562 -2.6445471 -2.642668 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 23 x ${x0} set atom 23 x 1.07343188841992 1 settings made for x set atom $i y ${y0} set atom 23 y ${y0} set atom 23 y 1.85961672446793 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 93 variable x0 equal ${xi} variable x0 equal 6.45546932934839 variable y0 equal ${yi} variable y0 equal 7.46753717985414 set atom $i x ${xnew} set atom 93 x ${xnew} set atom 93 x 6.40300951718408 1 settings made for x set atom $i y ${ynew} set atom 93 y ${ynew} set atom 93 y 7.37146181192659 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2293 -2.9871562 -2.6445471 -2.642668 2294 -2.9871562 -2.6445471 -2.6352622 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 93 x ${x0} set atom 93 x 6.45546932934839 1 settings made for x set atom $i y ${y0} set atom 93 y ${y0} set atom 93 y 7.46753717985414 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 93 variable x0 equal ${xi} variable x0 equal 6.45546932934839 variable y0 equal ${yi} variable y0 equal 7.46753717985414 set atom $i x ${xnew} set atom 93 x ${xnew} set atom 93 x 6.44710795401651 1 settings made for x set atom $i y ${ynew} set atom 93 y ${ynew} set atom 93 y 7.41837643709443 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2294 -2.9871562 -2.6445471 -2.6352622 2295 -2.9871562 -2.6445471 -2.6462257 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.64622568175787 variable naccept equal ${increment} variable naccept equal 433 next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.40156468867379 variable y0 equal ${yi} variable y0 equal 0.00304889678955437 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.4429693770321 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y -0.0132392525672877 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2295 -2.9871562 -2.6462257 -2.6462257 2296 -2.9871562 -2.6462257 -2.6430755 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.40156468867379 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 0.00304889678955437 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.24420675992527 variable y0 equal ${yi} variable y0 equal 3.73567457957399 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.14977384566822 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.66356789631975 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2296 -2.9871562 -2.6462257 -2.6430755 2297 -2.9871562 -2.6462257 -2.5988474 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.24420675992527 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.73567457957399 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.69106418092681 variable y0 equal ${yi} variable y0 equal 0.920749815214004 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.71990250547362 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 1.01698329042229 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2297 -2.9871562 -2.6462257 -2.5988474 2298 -2.9871562 -2.6462257 -2.6354486 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 6 x ${x0} set atom 6 x 2.69106418092681 1 settings made for x set atom $i y ${y0} set atom 6 y ${y0} set atom 6 y 0.920749815214004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.94641846377841 variable y0 equal ${yi} variable y0 equal 4.67712874764368 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 5.91362614591113 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.75788418406412 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2298 -2.9871562 -2.6462257 -2.6354486 2299 -2.9871562 -2.6462257 -2.5972976 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 5.94641846377841 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.67712874764368 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.65179307659102 variable y0 equal ${yi} variable y0 equal 2.85066882344583 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.6111364503665 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 2.81444189521173 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2299 -2.9871562 -2.6462257 -2.5972976 2300 -2.9871562 -2.6462257 -2.6400058 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 26 x ${x0} set atom 26 x 2.65179307659102 1 settings made for x set atom $i y ${y0} set atom 26 y ${y0} set atom 26 y 2.85066882344583 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.32252682526322 variable y0 equal ${yi} variable y0 equal 7.38917808857226 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.31109680016251 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.32593559351229 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2300 -2.9871562 -2.6462257 -2.6400058 2301 -2.9871562 -2.6462257 -2.6294681 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.32252682526322 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.38917808857226 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.26957070906373 variable y0 equal ${yi} variable y0 equal 1.93462480685777 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.24231749851914 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.84011848352022 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2301 -2.9871562 -2.6462257 -2.6294681 2302 -2.9871562 -2.6462257 -2.6138171 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.26957070906373 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.93462480685777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.88060106316253 variable y0 equal ${yi} variable y0 equal 0.960105260122139 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.78229731598541 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 1.00628933500083 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2302 -2.9871562 -2.6462257 -2.6138171 2303 -2.9871562 -2.6462257 -2.6112613 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.88060106316253 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 0.960105260122139 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.32301615555497 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.59390474503238 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2303 -2.9871562 -2.6462257 -2.6112613 2304 -2.9871562 -2.6462257 -2.6373713 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.525174053111937 variable y0 equal ${yi} variable y0 equal 0.894475575197066 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.54734552661505 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.812884886968459 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2304 -2.9871562 -2.6462257 -2.6373713 2305 -2.9871562 -2.6462257 -2.6288119 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.525174053111937 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.894475575197066 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 9 variable x0 equal ${xi} variable x0 equal 4.24272296507568 variable y0 equal ${yi} variable y0 equal 0.0256201386451842 set atom $i x ${xnew} set atom 9 x ${xnew} set atom 9 x 4.25739760477752 1 settings made for x set atom $i y ${ynew} set atom 9 y ${ynew} set atom 9 y 0.0785661339759947 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2305 -2.9871562 -2.6462257 -2.6288119 2306 -2.9871562 -2.6462257 -2.6390722 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 9 x ${x0} set atom 9 x 4.24272296507568 1 settings made for x set atom $i y ${y0} set atom 9 y ${y0} set atom 9 y 0.0256201386451842 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.00678724327727 variable y0 equal ${yi} variable y0 equal 4.66030267828866 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.06153705397292 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.60557631606027 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2306 -2.9871562 -2.6462257 -2.6390722 2307 -2.9871562 -2.6462257 -2.6332779 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.00678724327727 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.66030267828866 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.26957070906373 variable y0 equal ${yi} variable y0 equal 1.93462480685777 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.29946220000001 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.94335071227617 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2307 -2.9871562 -2.6462257 -2.6332779 2308 -2.9871562 -2.6462257 -2.6451738 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.26957070906373 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.93462480685777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 10.7447922309093 variable y0 equal ${yi} variable y0 equal 1.85953156135149 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x 10.8242043574504 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.87989725253649 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2308 -2.9871562 -2.6462257 -2.6451738 2309 -2.9871562 -2.6462257 -2.6293549 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 21 x ${x0} set atom 21 x 10.7447922309093 1 settings made for x set atom $i y ${y0} set atom 21 y ${y0} set atom 21 y 1.85953156135149 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.1789412740728 variable y0 equal ${yi} variable y0 equal 2.78276804658273 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.1636192683241 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.70693036290506 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2309 -2.9871562 -2.6462257 -2.6293549 2310 -2.9871562 -2.6462257 -2.6460169 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.64601691110067 variable naccept equal ${increment} variable naccept equal 434 next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.22492432355444 variable y0 equal ${yi} variable y0 equal 0.0240613460540867 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.25235247373144 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y -0.0323669195175075 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2310 -2.9871562 -2.6460169 -2.6460169 2311 -2.9871562 -2.6460169 -2.6411638 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 7 x ${x0} set atom 7 x 3.22492432355444 1 settings made for x set atom $i y ${y0} set atom 7 y ${y0} set atom 7 y 0.0240613460540867 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 84 variable x0 equal ${xi} variable x0 equal 1.63794375538607 variable y0 equal ${yi} variable y0 equal 8.371298693791 set atom $i x ${xnew} set atom 84 x ${xnew} set atom 84 x 1.67578153490801 1 settings made for x set atom $i y ${ynew} set atom 84 y ${ynew} set atom 84 y 8.32772495664653 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2311 -2.9871562 -2.6460169 -2.6411638 2312 -2.9871562 -2.6460169 -2.63842 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 84 x ${x0} set atom 84 x 1.63794375538607 1 settings made for x set atom $i y ${y0} set atom 84 y ${y0} set atom 84 y 8.371298693791 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.24420675992527 variable y0 equal ${yi} variable y0 equal 3.73567457957399 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.1481280064539 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.65371760888231 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2312 -2.9871562 -2.6460169 -2.63842 2313 -2.9871562 -2.6460169 -2.5920899 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.24420675992527 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.73567457957399 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 9 variable x0 equal ${xi} variable x0 equal 4.24272296507568 variable y0 equal ${yi} variable y0 equal 0.0256201386451842 set atom $i x ${xnew} set atom 9 x ${xnew} set atom 9 x 4.27178276856155 1 settings made for x set atom $i y ${ynew} set atom 9 y ${ynew} set atom 9 y 0.00600513219834582 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2313 -2.9871562 -2.6460169 -2.5920899 2314 -2.9871562 -2.6460169 -2.646375 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.6463750258467 variable naccept equal ${increment} variable naccept equal 435 next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.80759401837473 variable y0 equal ${yi} variable y0 equal 4.6440585290806 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.85395387927179 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.63480998629496 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2314 -2.9871562 -2.646375 -2.646375 2315 -2.9871562 -2.646375 -2.6457898 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.80759401837473 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.6440585290806 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.89040735601722 variable y0 equal ${yi} variable y0 equal 6.45623155371179 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.97525910972892 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.40792730585565 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2315 -2.9871562 -2.646375 -2.6457898 2316 -2.9871562 -2.646375 -2.6210654 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.89040735601722 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.45623155371179 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 10.7447922309093 variable y0 equal ${yi} variable y0 equal 1.85953156135149 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x 10.7257410605602 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.94946087977953 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2316 -2.9871562 -2.646375 -2.6210654 2317 -2.9871562 -2.646375 -2.6107453 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 21 x ${x0} set atom 21 x 10.7447922309093 1 settings made for x set atom $i y ${y0} set atom 21 y ${y0} set atom 21 y 1.85953156135149 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.57771970509168 variable y0 equal ${yi} variable y0 equal 0.0528771042823788 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.66068799971219 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.126740944385528 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2317 -2.9871562 -2.646375 -2.6107453 2318 -2.9871562 -2.646375 -2.6063699 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.57771970509168 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.0528771042823788 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.95025718807079 variable y0 equal ${yi} variable y0 equal 0.949378951299518 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 8.0340755283723 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 0.883622177350849 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2318 -2.9871562 -2.646375 -2.6063699 2319 -2.9871562 -2.646375 -2.6234897 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.95025718807079 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.949378951299518 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 10 variable x0 equal ${xi} variable x0 equal 4.77766234516441 variable y0 equal ${yi} variable y0 equal 0.927607925641864 set atom $i x ${xnew} set atom 10 x ${xnew} set atom 10 x 4.84927204489052 1 settings made for x set atom $i y ${ynew} set atom 10 y ${ynew} set atom 10 y 0.840897198427051 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2319 -2.9871562 -2.646375 -2.6234897 2320 -2.9871562 -2.646375 -2.6082465 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 10 x ${x0} set atom 10 x 4.77766234516441 1 settings made for x set atom $i y ${y0} set atom 10 y ${y0} set atom 10 y 0.927607925641864 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.11815181096249 variable y0 equal ${yi} variable y0 equal 7.44427507248187 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.12605889161282 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.46482060280108 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2320 -2.9871562 -2.646375 -2.6082465 2321 -2.9871562 -2.646375 -2.6453379 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.64533786048785 variable naccept equal ${increment} variable naccept equal 436 next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.10495061277249 variable y0 equal ${yi} variable y0 equal 4.66507560366557 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.08223971723416 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.64394115561412 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2321 -2.9871562 -2.6453379 -2.6453379 2322 -2.9871562 -2.6453379 -2.6451688 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 56 x ${x0} set atom 56 x 8.10495061277249 1 settings made for x set atom $i y ${y0} set atom 56 y ${y0} set atom 56 y 4.66507560366557 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.87285548408023 variable y0 equal ${yi} variable y0 equal 8.36937119878825 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.94223107058993 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.27615040458735 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2322 -2.9871562 -2.6453379 -2.6451688 2323 -2.9871562 -2.6453379 -2.6317217 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.87285548408023 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.36937119878825 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.81670362273342 variable y0 equal ${yi} variable y0 equal 2.85977786752084 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.71673676291591 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.84104822846749 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2323 -2.9871562 -2.6453379 -2.6317217 2324 -2.9871562 -2.6453379 -2.6421499 Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms 2494.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.81670362273342 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.85977786752084 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.46753388483297 variable y0 equal ${yi} variable y0 equal 0.0335806965827942 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.5055693610407 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y 0.0092600703239441 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2324 -2.9871562 -2.6453379 -2.6421499 2325 -2.9871562 -2.6453379 -2.6459857 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.64598565402484 variable naccept equal ${increment} variable naccept equal 437 next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.18122052589761 variable y0 equal ${yi} variable y0 equal 7.43532284822726 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.26357651392328 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.39450930681491 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2325 -2.9871562 -2.6459857 -2.6459857 2326 -2.9871562 -2.6459857 -2.6185435 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.18122052589761 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.43532284822726 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.80623258868343 variable y0 equal ${yi} variable y0 equal 6.50073292986383 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.82276965895778 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.59066712395181 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2326 -2.9871562 -2.6459857 -2.6185435 2327 -2.9871562 -2.6459857 -2.6113951 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 68 x ${x0} set atom 68 x 3.80623258868343 1 settings made for x set atom $i y ${y0} set atom 68 y ${y0} set atom 68 y 6.50073292986383 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 84 variable x0 equal ${xi} variable x0 equal 1.63794375538607 variable y0 equal ${yi} variable y0 equal 8.371298693791 set atom $i x ${xnew} set atom 84 x ${xnew} set atom 84 x 1.63685454010744 1 settings made for x set atom $i y ${ynew} set atom 84 y ${ynew} set atom 84 y 8.30789927162227 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2327 -2.9871562 -2.6459857 -2.6113951 2328 -2.9871562 -2.6459857 -2.6340271 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 84 x ${x0} set atom 84 x 1.63794375538607 1 settings made for x set atom $i y ${y0} set atom 84 y ${y0} set atom 84 y 8.371298693791 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.6009168970563 variable y0 equal ${yi} variable y0 equal 0.937610264528124 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.67506554007312 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 1.03333513330254 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2328 -2.9871562 -2.6459857 -2.6340271 2329 -2.9871562 -2.6459857 -2.6139605 Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms 2496.6% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.6009168970563 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.937610264528124 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.30972831010381 variable y0 equal ${yi} variable y0 equal 5.57299091761308 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.23763067483464 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.49112038557725 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2329 -2.9871562 -2.6459857 -2.6139605 2330 -2.9871562 -2.6459857 -2.6110838 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 67 x ${x0} set atom 67 x 3.30972831010381 1 settings made for x set atom $i y ${y0} set atom 67 y ${y0} set atom 67 y 5.57299091761308 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.74727117021515 variable y0 equal ${yi} variable y0 equal 6.50648560062877 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.81157753665878 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.42607045904628 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2330 -2.9871562 -2.6459857 -2.6110838 2331 -2.9871562 -2.6459857 -2.6280842 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 66 x ${x0} set atom 66 x 2.74727117021515 1 settings made for x set atom $i y ${y0} set atom 66 y ${y0} set atom 66 y 6.50648560062877 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.13902074734077 variable y0 equal ${yi} variable y0 equal 9.29444277990191 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 2.11897705236778 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y 9.30723684537737 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2331 -2.9871562 -2.6459857 -2.6280842 2332 -2.9871562 -2.6459857 -2.6458603 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 2.13902074734077 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 9.29444277990191 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 38 variable x0 equal ${xi} variable x0 equal 9.09958864171057 variable y0 equal ${yi} variable y0 equal 2.75573046180108 set atom $i x ${xnew} set atom 38 x ${xnew} set atom 38 x 9.11180581767111 1 settings made for x set atom $i y ${ynew} set atom 38 y ${ynew} set atom 38 y 2.79390442344048 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2332 -2.9871562 -2.6459857 -2.6458603 2333 -2.9871562 -2.6459857 -2.6397378 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 38 x ${x0} set atom 38 x 9.09958864171057 1 settings made for x set atom $i y ${y0} set atom 38 y ${y0} set atom 38 y 2.75573046180108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.80759401837473 variable y0 equal ${yi} variable y0 equal 4.6440585290806 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.74045794526224 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.59971120709345 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2333 -2.9871562 -2.6459857 -2.6397378 2334 -2.9871562 -2.6459857 -2.6307257 Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms 2496.6% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.80759401837473 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.6440585290806 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.34823718467619 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y 0.0456460475921606 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2334 -2.9871562 -2.6459857 -2.6307257 2335 -2.9871562 -2.6459857 -2.640406 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.80759401837473 variable y0 equal ${yi} variable y0 equal 4.6440585290806 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.79485161820536 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.69041586274073 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2335 -2.9871562 -2.6459857 -2.640406 2336 -2.9871562 -2.6459857 -2.6365185 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.80759401837473 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.6440585290806 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.87285548408023 variable y0 equal ${yi} variable y0 equal 8.36937119878825 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.79946060140124 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.34389196552333 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2336 -2.9871562 -2.6459857 -2.6365185 2337 -2.9871562 -2.6459857 -2.6276396 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.87285548408023 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.36937119878825 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.2036228899023 variable y0 equal ${yi} variable y0 equal 4.57710585946008 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.1311788682005 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.53851076716348 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2337 -2.9871562 -2.6459857 -2.6276396 2338 -2.9871562 -2.6459857 -2.6325435 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 60 x ${x0} set atom 60 x 10.2036228899023 1 settings made for x set atom $i y ${y0} set atom 60 y ${y0} set atom 60 y 4.57710585946008 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.5878455599004 variable y0 equal ${yi} variable y0 equal 9.28117802846759 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.543560357874 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 9.31060505616992 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2338 -2.9871562 -2.6459857 -2.6325435 2339 -2.9871562 -2.6459857 -2.6268203 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 1 x ${x0} set atom 1 x 10.5878455599004 1 settings made for x set atom $i y ${y0} set atom 1 y ${y0} set atom 1 y 9.28117802846759 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 82 variable x0 equal ${xi} variable x0 equal 0.480583484569456 variable y0 equal ${yi} variable y0 equal 8.38369611419733 set atom $i x ${xnew} set atom 82 x ${xnew} set atom 82 x 0.400733275810148 1 settings made for x set atom $i y ${ynew} set atom 82 y ${ynew} set atom 82 y 8.30642465271051 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2339 -2.9871562 -2.6459857 -2.6268203 2340 -2.9871562 -2.6459857 -2.6284709 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 82 x ${x0} set atom 82 x 0.480583484569456 1 settings made for x set atom $i y ${y0} set atom 82 y ${y0} set atom 82 y 8.38369611419733 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 3 variable x0 equal ${xi} variable x0 equal 1.02897904236965 variable y0 equal ${yi} variable y0 equal 9.27259716499179 set atom $i x ${xnew} set atom 3 x ${xnew} set atom 3 x 1.12366812546902 1 settings made for x set atom $i y ${ynew} set atom 3 y ${ynew} set atom 3 y 9.22856564033359 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2340 -2.9871562 -2.6459857 -2.6284709 2341 -2.9871562 -2.6459857 -2.6311643 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 3 x ${x0} set atom 3 x 1.02897904236965 1 settings made for x set atom $i y ${y0} set atom 3 y ${y0} set atom 3 y 9.27259716499179 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 49 variable x0 equal ${xi} variable x0 equal 4.37311956961365 variable y0 equal ${yi} variable y0 equal 3.73546738190782 set atom $i x ${xnew} set atom 49 x ${xnew} set atom 49 x 4.39672677595825 1 settings made for x set atom $i y ${ynew} set atom 49 y ${ynew} set atom 49 y 3.7317367987169 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2341 -2.9871562 -2.6459857 -2.6311643 2342 -2.9871562 -2.6459857 -2.6378138 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 49 x ${x0} set atom 49 x 4.37311956961365 1 settings made for x set atom $i y ${y0} set atom 49 y ${y0} set atom 49 y 3.73546738190782 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.12605889161282 variable y0 equal ${yi} variable y0 equal 7.46482060280108 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.18686254342251 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.51649128523135 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2342 -2.9871562 -2.6459857 -2.6378138 2343 -2.9871562 -2.6459857 -2.6197462 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.12605889161282 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.46482060280108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 12 variable x0 equal ${xi} variable x0 equal 5.84254707057468 variable y0 equal ${yi} variable y0 equal 0.912364717233509 set atom $i x ${xnew} set atom 12 x ${xnew} set atom 12 x 5.91852093894474 1 settings made for x set atom $i y ${ynew} set atom 12 y ${ynew} set atom 12 y 0.967858119714588 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2343 -2.9871562 -2.6459857 -2.6197462 2344 -2.9871562 -2.6459857 -2.6276471 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 12 x ${x0} set atom 12 x 5.84254707057468 1 settings made for x set atom $i y ${y0} set atom 12 y ${y0} set atom 12 y 0.912364717233509 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.80759401837473 variable y0 equal ${yi} variable y0 equal 4.6440585290806 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.86987643757944 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.66939618939325 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2344 -2.9871562 -2.6459857 -2.6276471 2345 -2.9871562 -2.6459857 -2.6392392 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.80759401837473 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.6440585290806 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.98599239308387 variable y0 equal ${yi} variable y0 equal 0.925951715219346 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 9.04030754286796 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 0.862876291978684 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2345 -2.9871562 -2.6459857 -2.6392392 2346 -2.9871562 -2.6459857 -2.6325222 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 8.98599239308387 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.925951715219346 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.64154032667112 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.62388319128915 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2346 -2.9871562 -2.6459857 -2.6325222 2347 -2.9871562 -2.6459857 -2.6257975 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.78497772415113 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.6973466908352 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2347 -2.9871562 -2.6459857 -2.6257975 2348 -2.9871562 -2.6459857 -2.6392583 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.27658920684721 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y -0.0125264883041407 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2348 -2.9871562 -2.6459857 -2.6392583 2349 -2.9871562 -2.6459857 -2.6385229 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 73 variable x0 equal ${xi} variable x0 equal 6.49270002364235 variable y0 equal ${yi} variable y0 equal 5.51694749539096 set atom $i x ${xnew} set atom 73 x ${xnew} set atom 73 x 6.58564282178002 1 settings made for x set atom $i y ${ynew} set atom 73 y ${ynew} set atom 73 y 5.48841923420627 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2349 -2.9871562 -2.6459857 -2.6385229 2350 -2.9871562 -2.6459857 -2.5860678 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 73 x ${x0} set atom 73 x 6.49270002364235 1 settings made for x set atom $i y ${y0} set atom 73 y ${y0} set atom 73 y 5.51694749539096 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.94641846377841 variable y0 equal ${yi} variable y0 equal 4.67712874764368 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 5.90156124789706 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.71057166212961 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2350 -2.9871562 -2.6459857 -2.5860678 2351 -2.9871562 -2.6459857 -2.62665 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 5.94641846377841 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.67712874764368 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 0.0324913382529836 variable y0 equal ${yi} variable y0 equal 5.50569564049439 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 0.129562687873803 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.471328591754 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2351 -2.9871562 -2.6459857 -2.62665 2352 -2.9871562 -2.6459857 -2.60492 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 61 x ${x0} set atom 61 x 0.0324913382529836 1 settings made for x set atom $i y ${y0} set atom 61 y ${y0} set atom 61 y 5.50569564049439 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.40156468867379 variable y0 equal ${yi} variable y0 equal 0.00304889678955437 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.42990400313454 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y 0.0225976943969762 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2352 -2.9871562 -2.6459857 -2.60492 2353 -2.9871562 -2.6459857 -2.6440204 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.40156468867379 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 0.00304889678955437 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.54984512486879 variable y0 equal ${yi} variable y0 equal 3.69442252679001 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.52802442470018 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.74067889018189 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2353 -2.9871562 -2.6459857 -2.6440204 2354 -2.9871562 -2.6459857 -2.6403145 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.54984512486879 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.69442252679001 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.89040735601722 variable y0 equal ${yi} variable y0 equal 6.45623155371179 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.97621845840751 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.35665388838281 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2354 -2.9871562 -2.6459857 -2.6403145 2355 -2.9871562 -2.6459857 -2.5865288 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.89040735601722 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.45623155371179 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.1636192683241 variable y0 equal ${yi} variable y0 equal 2.70693036290506 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.0923145178816 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.74455177756647 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2355 -2.9871562 -2.6459857 -2.5865288 2356 -2.9871562 -2.6459857 -2.6383978 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.1636192683241 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.70693036290506 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.40156468867379 variable y0 equal ${yi} variable y0 equal 0.00304889678955437 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.43167500018197 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y -0.0818755507469141 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2356 -2.9871562 -2.6459857 -2.6383978 2357 -2.9871562 -2.6459857 -2.6371245 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.40156468867379 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 0.00304889678955437 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.74727117021515 variable y0 equal ${yi} variable y0 equal 6.50648560062877 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.8387743135257 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.57902196184627 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2357 -2.9871562 -2.6459857 -2.6371245 2358 -2.9871562 -2.6459857 -2.5699955 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 66 x ${x0} set atom 66 x 2.74727117021515 1 settings made for x set atom $i y ${y0} set atom 66 y ${y0} set atom 66 y 6.50648560062877 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.74727117021515 variable y0 equal ${yi} variable y0 equal 6.50648560062877 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.77271260221436 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.58536288277141 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2358 -2.9871562 -2.6459857 -2.5699955 2359 -2.9871562 -2.6459857 -2.6074044 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 66 x ${x0} set atom 66 x 2.74727117021515 1 settings made for x set atom $i y ${y0} set atom 66 y ${y0} set atom 66 y 6.50648560062877 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.40156468867379 variable y0 equal ${yi} variable y0 equal 0.00304889678955437 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.44736310957986 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y 0.0558234930038488 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2359 -2.9871562 -2.6459857 -2.6074044 2360 -2.9871562 -2.6459857 -2.6358228 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.40156468867379 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 0.00304889678955437 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.81670362273342 variable y0 equal ${yi} variable y0 equal 2.85977786752084 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.81079958001263 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.88561848374704 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2360 -2.9871562 -2.6459857 -2.6358228 2361 -2.9871562 -2.6459857 -2.6437668 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.81670362273342 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.85977786752084 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 99 variable x0 equal ${xi} variable x0 equal 9.7112571763861 variable y0 equal ${yi} variable y0 equal 7.38156818475986 set atom $i x ${xnew} set atom 99 x ${xnew} set atom 99 x 9.71944220541595 1 settings made for x set atom $i y ${ynew} set atom 99 y ${ynew} set atom 99 y 7.42350621547962 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2361 -2.9871562 -2.6459857 -2.6437668 2362 -2.9871562 -2.6459857 -2.6406981 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 99 x ${x0} set atom 99 x 9.7112571763861 1 settings made for x set atom $i y ${y0} set atom 99 y ${y0} set atom 99 y 7.38156818475986 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.56843688645784 variable y0 equal ${yi} variable y0 equal 5.60343744700151 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.59574365773622 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.53088903372484 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2362 -2.9871562 -2.6459857 -2.6406981 2363 -2.9871562 -2.6459857 -2.6226863 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.56843688645784 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.60343744700151 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.18523547410527 variable y0 equal ${yi} variable y0 equal 1.96640520474976 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.2013416862444 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 1.98039417645997 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2363 -2.9871562 -2.6459857 -2.6226863 2364 -2.9871562 -2.6459857 -2.6465136 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.64651364960974 variable naccept equal ${increment} variable naccept equal 438 next iter jump SELF loop variable i equal ${irandom} variable i equal 50 variable x0 equal ${xi} variable x0 equal 4.95269535421668 variable y0 equal ${yi} variable y0 equal 4.50253551358148 set atom $i x ${xnew} set atom 50 x ${xnew} set atom 50 x 4.9954027616912 1 settings made for x set atom $i y ${ynew} set atom 50 y ${ynew} set atom 50 y 4.57779587859079 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2364 -2.9871562 -2.6465136 -2.6465136 2365 -2.9871562 -2.6465136 -2.6573687 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.65736872863748 variable naccept equal ${increment} variable naccept equal 439 next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.56843688645784 variable y0 equal ${yi} variable y0 equal 5.60343744700151 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.4880973950905 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.61973017399507 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2365 -2.9871562 -2.6573687 -2.6573687 2366 -2.9871562 -2.6573687 -2.6362029 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.56843688645784 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.60343744700151 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 93 variable x0 equal ${xi} variable x0 equal 6.44710795401651 variable y0 equal ${yi} variable y0 equal 7.41837643709443 set atom $i x ${xnew} set atom 93 x ${xnew} set atom 93 x 6.41459513424951 1 settings made for x set atom $i y ${ynew} set atom 93 y ${ynew} set atom 93 y 7.45672734108232 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2366 -2.9871562 -2.6573687 -2.6362029 2367 -2.9871562 -2.6573687 -2.656008 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 93 x ${x0} set atom 93 x 6.44710795401651 1 settings made for x set atom $i y ${y0} set atom 93 y ${y0} set atom 93 y 7.41837643709443 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.2013416862444 variable y0 equal ${yi} variable y0 equal 1.98039417645997 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.18287575006047 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 2.07858885905808 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2367 -2.9871562 -2.6573687 -2.656008 2368 -2.9871562 -2.6573687 -2.6168983 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 27 x ${x0} set atom 27 x 3.2013416862444 1 settings made for x set atom $i y ${y0} set atom 27 y ${y0} set atom 27 y 1.98039417645997 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.22492432355444 variable y0 equal ${yi} variable y0 equal 0.0240613460540867 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.20137036799948 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y -0.00622136592864035 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2368 -2.9871562 -2.6573687 -2.6168983 2369 -2.9871562 -2.6573687 -2.6565642 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 7 x ${x0} set atom 7 x 3.22492432355444 1 settings made for x set atom $i y ${y0} set atom 7 y ${y0} set atom 7 y 0.0240613460540867 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 8 variable x0 equal ${xi} variable x0 equal 3.72890197554714 variable y0 equal ${yi} variable y0 equal 1.0604893166903 set atom $i x ${xnew} set atom 8 x ${xnew} set atom 8 x 3.6671127251733 1 settings made for x set atom $i y ${ynew} set atom 8 y ${ynew} set atom 8 y 1.12907954047952 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2369 -2.9871562 -2.6573687 -2.6565642 2370 -2.9871562 -2.6573687 -2.6274743 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 8 x ${x0} set atom 8 x 3.72890197554714 1 settings made for x set atom $i y ${y0} set atom 8 y ${y0} set atom 8 y 1.0604893166903 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.29028950968 variable y0 equal ${yi} variable y0 equal 6.46599212423793 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.2889763001463 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.52189012304774 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2370 -2.9871562 -2.6573687 -2.6274743 2371 -2.9871562 -2.6573687 -2.650477 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.29028950968 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.46599212423793 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.11976422666408 variable y0 equal ${yi} variable y0 equal 6.57524594799509 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 8.20573648809291 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.60633873478403 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2371 -2.9871562 -2.6573687 -2.650477 2372 -2.9871562 -2.6573687 -2.5853967 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 76 x ${x0} set atom 76 x 8.11976422666408 1 settings made for x set atom $i y ${y0} set atom 76 y ${y0} set atom 76 y 6.57524594799509 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 36 variable x0 equal ${xi} variable x0 equal 8.01815503238536 variable y0 equal ${yi} variable y0 equal 2.72729808064798 set atom $i x ${xnew} set atom 36 x ${xnew} set atom 36 x 8.05603994726039 1 settings made for x set atom $i y ${ynew} set atom 36 y ${ynew} set atom 36 y 2.70463098260263 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2372 -2.9871562 -2.6573687 -2.5853967 2373 -2.9871562 -2.6573687 -2.6480884 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 36 x ${x0} set atom 36 x 8.01815503238536 1 settings made for x set atom $i y ${y0} set atom 36 y ${y0} set atom 36 y 2.72729808064798 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 49 variable x0 equal ${xi} variable x0 equal 4.37311956961365 variable y0 equal ${yi} variable y0 equal 3.73546738190782 set atom $i x ${xnew} set atom 49 x ${xnew} set atom 49 x 4.3011417873642 1 settings made for x set atom $i y ${ynew} set atom 49 y ${ynew} set atom 49 y 3.82676342291963 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2373 -2.9871562 -2.6573687 -2.6480884 2374 -2.9871562 -2.6573687 -2.6343512 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 49 x ${x0} set atom 49 x 4.37311956961365 1 settings made for x set atom $i y ${y0} set atom 49 y ${y0} set atom 49 y 3.73546738190782 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.57771970509168 variable y0 equal ${yi} variable y0 equal 0.0528771042823788 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.6282262730467 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.107169592380523 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2374 -2.9871562 -2.6573687 -2.6343512 2375 -2.9871562 -2.6573687 -2.6414382 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.57771970509168 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.0528771042823788 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 17 variable x0 equal ${xi} variable x0 equal 8.56200896659319 variable y0 equal ${yi} variable y0 equal 9.2929022978577 set atom $i x ${xnew} set atom 17 x ${xnew} set atom 17 x 8.5712285534424 1 settings made for x set atom $i y ${ynew} set atom 17 y ${ynew} set atom 17 y 9.33846748578876 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2375 -2.9871562 -2.6573687 -2.6414382 2376 -2.9871562 -2.6573687 -2.6476031 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 17 x ${x0} set atom 17 x 8.56200896659319 1 settings made for x set atom $i y ${y0} set atom 17 y ${y0} set atom 17 y 9.2929022978577 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.69106418092681 variable y0 equal ${yi} variable y0 equal 0.920749815214004 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.6376605768962 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 0.944219728219833 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2376 -2.9871562 -2.6573687 -2.6476031 2377 -2.9871562 -2.6573687 -2.655172 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 6 x ${x0} set atom 6 x 2.69106418092681 1 settings made for x set atom $i y ${y0} set atom 6 y ${y0} set atom 6 y 0.920749815214004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 50 variable x0 equal ${xi} variable x0 equal 4.9954027616912 variable y0 equal ${yi} variable y0 equal 4.57779587859079 set atom $i x ${xnew} set atom 50 x ${xnew} set atom 50 x 4.95790398954688 1 settings made for x set atom $i y ${ynew} set atom 50 y ${ynew} set atom 50 y 4.55875416153833 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2377 -2.9871562 -2.6573687 -2.655172 2378 -2.9871562 -2.6573687 -2.6690997 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.66909970878309 variable naccept equal ${increment} variable naccept equal 440 next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.11356125195676 variable y0 equal ${yi} variable y0 equal 3.71681254668367 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 1.06372391303235 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.72807768149507 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2378 -2.9871562 -2.6690997 -2.6690997 2379 -2.9871562 -2.6690997 -2.6681214 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 43 x ${x0} set atom 43 x 1.11356125195676 1 settings made for x set atom $i y ${y0} set atom 43 y ${y0} set atom 43 y 3.71681254668367 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.19388546387063 variable y0 equal ${yi} variable y0 equal 3.77270575328004 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.15111996570931 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.81003410382402 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2379 -2.9871562 -2.6690997 -2.6681214 2380 -2.9871562 -2.6690997 -2.6683754 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.19388546387063 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.77270575328004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 10 variable x0 equal ${xi} variable x0 equal 4.77766234516441 variable y0 equal ${yi} variable y0 equal 0.927607925641864 set atom $i x ${xnew} set atom 10 x ${xnew} set atom 10 x 4.67853731750786 1 settings made for x set atom $i y ${ynew} set atom 10 y ${ynew} set atom 10 y 0.947497435319751 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2380 -2.9871562 -2.6690997 -2.6683754 2381 -2.9871562 -2.6690997 -2.6449632 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 10 x ${x0} set atom 10 x 4.77766234516441 1 settings made for x set atom $i y ${y0} set atom 10 y ${y0} set atom 10 y 0.927607925641864 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 93 variable x0 equal ${xi} variable x0 equal 6.44710795401651 variable y0 equal ${yi} variable y0 equal 7.41837643709443 set atom $i x ${xnew} set atom 93 x ${xnew} set atom 93 x 6.41071300028879 1 settings made for x set atom $i y ${ynew} set atom 93 y ${ynew} set atom 93 y 7.4550809296634 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2381 -2.9871562 -2.6690997 -2.6449632 2382 -2.9871562 -2.6690997 -2.6674361 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 93 x ${x0} set atom 93 x 6.44710795401651 1 settings made for x set atom $i y ${y0} set atom 93 y ${y0} set atom 93 y 7.41837643709443 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.41745940843489 variable y0 equal ${yi} variable y0 equal 5.54884942715364 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.49235073724654 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.56695841496187 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2382 -2.9871562 -2.6690997 -2.6674361 2383 -2.9871562 -2.6690997 -2.6567097 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.41745940843489 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.54884942715364 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.98550258834353 variable y0 equal ${yi} variable y0 equal 6.47227353588572 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 6.05801051814547 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.4674696399354 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2383 -2.9871562 -2.6690997 -2.6567097 2384 -2.9871562 -2.6690997 -2.6529987 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 72 x ${x0} set atom 72 x 5.98550258834353 1 settings made for x set atom $i y ${y0} set atom 72 y ${y0} set atom 72 y 6.47227353588572 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.69106418092681 variable y0 equal ${yi} variable y0 equal 0.920749815214004 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.62602374751998 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 0.876110966909255 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2384 -2.9871562 -2.6690997 -2.6529987 2385 -2.9871562 -2.6690997 -2.6590791 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 6 x ${x0} set atom 6 x 2.69106418092681 1 settings made for x set atom $i y ${y0} set atom 6 y ${y0} set atom 6 y 0.920749815214004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.88060106316253 variable y0 equal ${yi} variable y0 equal 0.960105260122139 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.92987251558944 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 0.965486224401314 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2385 -2.9871562 -2.6690997 -2.6590791 2386 -2.9871562 -2.6690997 -2.664864 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.88060106316253 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 0.960105260122139 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.32252682526322 variable y0 equal ${yi} variable y0 equal 7.38917808857226 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.3978435405037 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.42443825330996 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2386 -2.9871562 -2.6690997 -2.664864 2387 -2.9871562 -2.6690997 -2.6522893 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.32252682526322 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.38917808857226 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.57288145302412 variable y0 equal ${yi} variable y0 equal 3.68945432467593 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.62788166283247 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.76814270777835 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2387 -2.9871562 -2.6690997 -2.6522893 2388 -2.9871562 -2.6690997 -2.6633005 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 59 x ${x0} set atom 59 x 9.57288145302412 1 settings made for x set atom $i y ${y0} set atom 59 y ${y0} set atom 59 y 3.68945432467593 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 73 variable x0 equal ${xi} variable x0 equal 6.49270002364235 variable y0 equal ${yi} variable y0 equal 5.51694749539096 set atom $i x ${xnew} set atom 73 x ${xnew} set atom 73 x 6.57229405163841 1 settings made for x set atom $i y ${ynew} set atom 73 y ${ynew} set atom 73 y 5.50351933186252 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2388 -2.9871562 -2.6690997 -2.6633005 2389 -2.9871562 -2.6690997 -2.6312089 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 73 x ${x0} set atom 73 x 6.49270002364235 1 settings made for x set atom $i y ${y0} set atom 73 y ${y0} set atom 73 y 5.51694749539096 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.525174053111937 variable y0 equal ${yi} variable y0 equal 0.894475575197066 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.462958796420958 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.821414681184615 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2389 -2.9871562 -2.6690997 -2.6312089 2390 -2.9871562 -2.6690997 -2.6595495 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.525174053111937 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.894475575197066 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.1851203922291 variable y0 equal ${yi} variable y0 equal 0.955667336690753 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.2833203677197 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.968818529355853 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2390 -2.9871562 -2.6690997 -2.6595495 2391 -2.9871562 -2.6690997 -2.6477464 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 20 x ${x0} set atom 20 x 10.1851203922291 1 settings made for x set atom $i y ${y0} set atom 20 y ${y0} set atom 20 y 0.955667336690753 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.83408757646513 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.72791191691323 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2391 -2.9871562 -2.6690997 -2.6477464 2392 -2.9871562 -2.6690997 -2.6367534 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 62 variable x0 equal ${xi} variable x0 equal 0.654104717174436 variable y0 equal ${yi} variable y0 equal 6.49111358658304 set atom $i x ${xnew} set atom 62 x ${xnew} set atom 62 x 0.574255783954526 1 settings made for x set atom $i y ${ynew} set atom 62 y ${ynew} set atom 62 y 6.40221397415628 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2392 -2.9871562 -2.6690997 -2.6367534 2393 -2.9871562 -2.6690997 -2.6553748 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 62 x ${x0} set atom 62 x 0.654104717174436 1 settings made for x set atom $i y ${y0} set atom 62 y ${y0} set atom 62 y 6.49111358658304 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.24420675992527 variable y0 equal ${yi} variable y0 equal 3.73567457957399 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.32150743960896 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.70044717354906 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2393 -2.9871562 -2.6690997 -2.6553748 2394 -2.9871562 -2.6690997 -2.6561567 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.24420675992527 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.73567457957399 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.18122052589761 variable y0 equal ${yi} variable y0 equal 7.43532284822726 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.23746758142816 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.48196691599154 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2394 -2.9871562 -2.6690997 -2.6561567 2395 -2.9871562 -2.6690997 -2.6534504 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.18122052589761 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.43532284822726 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.1636192683241 variable y0 equal ${yi} variable y0 equal 2.70693036290506 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.1097630504629 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.73196680518488 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2395 -2.9871562 -2.6690997 -2.6534504 2396 -2.9871562 -2.6690997 -2.6658108 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.1636192683241 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.70693036290506 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.42922221818829 variable y0 equal ${yi} variable y0 equal 3.64031273884904 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.37591991821194 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.72536636157167 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2396 -2.9871562 -2.6690997 -2.6658108 2397 -2.9871562 -2.6690997 -2.6528619 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 51 x ${x0} set atom 51 x 5.42922221818829 1 settings made for x set atom $i y ${y0} set atom 51 y ${y0} set atom 51 y 3.64031273884904 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.52396155435811 variable y0 equal ${yi} variable y0 equal 3.76348131461275 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.58161339599858 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.78095641894472 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2397 -2.9871562 -2.6690997 -2.6528619 2398 -2.9871562 -2.6690997 -2.6551653 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 55 x ${x0} set atom 55 x 7.52396155435811 1 settings made for x set atom $i y ${y0} set atom 55 y ${y0} set atom 55 y 3.76348131461275 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.2036228899023 variable y0 equal ${yi} variable y0 equal 4.57710585946008 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.1047366384527 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.54019505137369 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2398 -2.9871562 -2.6690997 -2.6551653 2399 -2.9871562 -2.6690997 -2.6443875 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 60 x ${x0} set atom 60 x 10.2036228899023 1 settings made for x set atom $i y ${y0} set atom 60 y ${y0} set atom 60 y 4.57710585946008 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 9 variable x0 equal ${xi} variable x0 equal 4.27178276856155 variable y0 equal ${yi} variable y0 equal 0.00600513219834582 set atom $i x ${xnew} set atom 9 x ${xnew} set atom 9 x 4.18710436899871 1 settings made for x set atom $i y ${ynew} set atom 9 y ${ynew} set atom 9 y -0.0675657153129457 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2399 -2.9871562 -2.6690997 -2.6443875 2400 -2.9871562 -2.6690997 -2.646351 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 9 x ${x0} set atom 9 x 4.27178276856155 1 settings made for x set atom $i y ${y0} set atom 9 y ${y0} set atom 9 y 0.00600513219834582 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 86 variable x0 equal ${xi} variable x0 equal 2.71264111001922 variable y0 equal ${yi} variable y0 equal 8.37165092147884 set atom $i x ${xnew} set atom 86 x ${xnew} set atom 86 x 2.68428162534667 1 settings made for x set atom $i y ${ynew} set atom 86 y ${ynew} set atom 86 y 8.41572124876079 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2400 -2.9871562 -2.6690997 -2.646351 2401 -2.9871562 -2.6690997 -2.6644108 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 86 x ${x0} set atom 86 x 2.71264111001922 1 settings made for x set atom $i y ${y0} set atom 86 y ${y0} set atom 86 y 8.37165092147884 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.54984512486879 variable y0 equal ${yi} variable y0 equal 3.69442252679001 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.51606408515398 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.63436256213318 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2401 -2.9871562 -2.6690997 -2.6644108 2402 -2.9871562 -2.6690997 -2.662009 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.54984512486879 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.69442252679001 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.29028950968 variable y0 equal ${yi} variable y0 equal 6.46599212423793 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.2989817146322 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.54317707554332 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2402 -2.9871562 -2.6690997 -2.662009 2403 -2.9871562 -2.6690997 -2.6532752 Loop time of 3.98159e-05 on 1 procs for 1 steps with 100 atoms 2511.6% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.29028950968 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.46599212423793 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.52396155435811 variable y0 equal ${yi} variable y0 equal 3.76348131461275 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.59115655262242 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.72282788319719 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2403 -2.9871562 -2.6690997 -2.6532752 2404 -2.9871562 -2.6690997 -2.6543774 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 55 x ${x0} set atom 55 x 7.52396155435811 1 settings made for x set atom $i y ${y0} set atom 55 y ${y0} set atom 55 y 3.76348131461275 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.42922221818829 variable y0 equal ${yi} variable y0 equal 3.64031273884904 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.3681806007948 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.70773236317765 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2404 -2.9871562 -2.6690997 -2.6543774 2405 -2.9871562 -2.6690997 -2.6567295 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 51 x ${x0} set atom 51 x 5.42922221818829 1 settings made for x set atom $i y ${y0} set atom 51 y ${y0} set atom 51 y 3.64031273884904 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.81670362273342 variable y0 equal ${yi} variable y0 equal 2.85977786752084 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.87888618031628 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.84395996304849 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2405 -2.9871562 -2.6690997 -2.6567295 2406 -2.9871562 -2.6690997 -2.6519212 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.81670362273342 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.85977786752084 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.6009168970563 variable y0 equal ${yi} variable y0 equal 0.937610264528124 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.57476761221667 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.954603274572222 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2406 -2.9871562 -2.6690997 -2.6519212 2407 -2.9871562 -2.6690997 -2.6658578 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.6009168970563 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.937610264528124 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.00678724327727 variable y0 equal ${yi} variable y0 equal 4.66030267828866 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.05109598913832 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.62569097632333 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2407 -2.9871562 -2.6690997 -2.6658578 2408 -2.9871562 -2.6690997 -2.6659636 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.00678724327727 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.66030267828866 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.32252682526322 variable y0 equal ${yi} variable y0 equal 7.38917808857226 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.24462784607621 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.32568568315768 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2408 -2.9871562 -2.6690997 -2.6659636 2409 -2.9871562 -2.6690997 -2.6318143 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.32252682526322 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.38917808857226 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.18122052589761 variable y0 equal ${yi} variable y0 equal 7.43532284822726 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.14120897690164 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.45655035105014 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2409 -2.9871562 -2.6690997 -2.6318143 2410 -2.9871562 -2.6690997 -2.6652599 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.18122052589761 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.43532284822726 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 98 variable x0 equal ${xi} variable x0 equal 9.09545654971154 variable y0 equal ${yi} variable y0 equal 8.37382508434351 set atom $i x ${xnew} set atom 98 x ${xnew} set atom 98 x 9.12435003239663 1 settings made for x set atom $i y ${ynew} set atom 98 y ${ynew} set atom 98 y 8.34361114419992 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2410 -2.9871562 -2.6690997 -2.6652599 2411 -2.9871562 -2.6690997 -2.6675062 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 98 x ${x0} set atom 98 x 9.09545654971154 1 settings made for x set atom $i y ${y0} set atom 98 y ${y0} set atom 98 y 8.37382508434351 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 35 variable x0 equal ${xi} variable x0 equal 7.41105691034568 variable y0 equal ${yi} variable y0 equal 1.86285059831208 set atom $i x ${xnew} set atom 35 x ${xnew} set atom 35 x 7.39585532982124 1 settings made for x set atom $i y ${ynew} set atom 35 y ${ynew} set atom 35 y 1.91880389831132 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2411 -2.9871562 -2.6690997 -2.6675062 2412 -2.9871562 -2.6690997 -2.6605304 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 35 x ${x0} set atom 35 x 7.41105691034568 1 settings made for x set atom $i y ${y0} set atom 35 y ${y0} set atom 35 y 1.86285059831208 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.89040735601722 variable y0 equal ${yi} variable y0 equal 6.45623155371179 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.8763818585807 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.43000182644357 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2412 -2.9871562 -2.6690997 -2.6605304 2413 -2.9871562 -2.6690997 -2.6661842 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.89040735601722 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.45623155371179 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 0.0324913382529836 variable y0 equal ${yi} variable y0 equal 5.50569564049439 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 0.0873793363570791 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.5794189924498 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2413 -2.9871562 -2.6690997 -2.6661842 2414 -2.9871562 -2.6690997 -2.6615057 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 61 x ${x0} set atom 61 x 0.0324913382529836 1 settings made for x set atom $i y ${y0} set atom 61 y ${y0} set atom 61 y 5.50569564049439 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.4643855285557 variable y0 equal ${yi} variable y0 equal 3.79889360232483 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.36869368075449 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.88635060353409 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2414 -2.9871562 -2.6690997 -2.6615057 2415 -2.9871562 -2.6690997 -2.5746572 Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 53 x ${x0} set atom 53 x 6.4643855285557 1 settings made for x set atom $i y ${y0} set atom 53 y ${y0} set atom 53 y 3.79889360232483 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.42922221818829 variable y0 equal ${yi} variable y0 equal 3.64031273884904 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.45191831985379 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.61818509860169 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2415 -2.9871562 -2.6690997 -2.5746572 2416 -2.9871562 -2.6690997 -2.6532307 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 51 x ${x0} set atom 51 x 5.42922221818829 1 settings made for x set atom $i y ${y0} set atom 51 y ${y0} set atom 51 y 3.64031273884904 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.19388546387063 variable y0 equal ${yi} variable y0 equal 3.77270575328004 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.14295520225869 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.86383654637467 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2416 -2.9871562 -2.6690997 -2.6532307 2417 -2.9871562 -2.6690997 -2.6530466 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.19388546387063 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.77270575328004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 23 variable x0 equal ${xi} variable x0 equal 1.07343188841992 variable y0 equal ${yi} variable y0 equal 1.85961672446793 set atom $i x ${xnew} set atom 23 x ${xnew} set atom 23 x 1.16478169282132 1 settings made for x set atom $i y ${ynew} set atom 23 y ${ynew} set atom 23 y 1.83499623916214 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2417 -2.9871562 -2.6690997 -2.6530466 2418 -2.9871562 -2.6690997 -2.6520502 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 23 x ${x0} set atom 23 x 1.07343188841992 1 settings made for x set atom $i y ${y0} set atom 23 y ${y0} set atom 23 y 1.85961672446793 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.18122052589761 variable y0 equal ${yi} variable y0 equal 7.43532284822726 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.08701726833688 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.4857302459743 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2418 -2.9871562 -2.6690997 -2.6520502 2419 -2.9871562 -2.6690997 -2.6400584 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.18122052589761 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.43532284822726 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 36 variable x0 equal ${xi} variable x0 equal 8.01815503238536 variable y0 equal ${yi} variable y0 equal 2.72729808064798 set atom $i x ${xnew} set atom 36 x ${xnew} set atom 36 x 7.92535349725581 1 settings made for x set atom $i y ${ynew} set atom 36 y ${ynew} set atom 36 y 2.67668384286264 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2419 -2.9871562 -2.6690997 -2.6400584 2420 -2.9871562 -2.6690997 -2.6225211 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 36 x ${x0} set atom 36 x 8.01815503238536 1 settings made for x set atom $i y ${y0} set atom 36 y ${y0} set atom 36 y 2.72729808064798 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.2036228899023 variable y0 equal ${yi} variable y0 equal 4.57710585946008 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.228128111746 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.49085599535867 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2420 -2.9871562 -2.6690997 -2.6225211 2421 -2.9871562 -2.6690997 -2.6427641 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 60 x ${x0} set atom 60 x 10.2036228899023 1 settings made for x set atom $i y ${y0} set atom 60 y ${y0} set atom 60 y 4.57710585946008 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.68984863638659 variable y0 equal ${yi} variable y0 equal 6.46641751066677 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.70608236670275 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.38719476000301 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2421 -2.9871562 -2.6690997 -2.6427641 2422 -2.9871562 -2.6690997 -2.6483513 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.68984863638659 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.46641751066677 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 10 variable x0 equal ${xi} variable x0 equal 4.77766234516441 variable y0 equal ${yi} variable y0 equal 0.927607925641864 set atom $i x ${xnew} set atom 10 x ${xnew} set atom 10 x 4.78433811306297 1 settings made for x set atom $i y ${ynew} set atom 10 y ${ynew} set atom 10 y 1.00741346668038 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2422 -2.9871562 -2.6690997 -2.6483513 2423 -2.9871562 -2.6690997 -2.6590725 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 10 x ${x0} set atom 10 x 4.77766234516441 1 settings made for x set atom $i y ${y0} set atom 10 y ${y0} set atom 10 y 0.927607925641864 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 84 variable x0 equal ${xi} variable x0 equal 1.63794375538607 variable y0 equal ${yi} variable y0 equal 8.371298693791 set atom $i x ${xnew} set atom 84 x ${xnew} set atom 84 x 1.71056198954363 1 settings made for x set atom $i y ${ynew} set atom 84 y ${ynew} set atom 84 y 8.31191067613658 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2423 -2.9871562 -2.6690997 -2.6590725 2424 -2.9871562 -2.6690997 -2.6487104 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 84 x ${x0} set atom 84 x 1.63794375538607 1 settings made for x set atom $i y ${y0} set atom 84 y ${y0} set atom 84 y 8.371298693791 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 84 variable x0 equal ${xi} variable x0 equal 1.63794375538607 variable y0 equal ${yi} variable y0 equal 8.371298693791 set atom $i x ${xnew} set atom 84 x ${xnew} set atom 84 x 1.64166227459689 1 settings made for x set atom $i y ${ynew} set atom 84 y ${ynew} set atom 84 y 8.40684249319133 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2424 -2.9871562 -2.6690997 -2.6487104 2425 -2.9871562 -2.6690997 -2.6665549 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 84 x ${x0} set atom 84 x 1.63794375538607 1 settings made for x set atom $i y ${y0} set atom 84 y ${y0} set atom 84 y 8.371298693791 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.57288145302412 variable y0 equal ${yi} variable y0 equal 3.68945432467593 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.52753470419523 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.74228307767047 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2425 -2.9871562 -2.6690997 -2.6665549 2426 -2.9871562 -2.6690997 -2.6567992 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 59 x ${x0} set atom 59 x 9.57288145302412 1 settings made for x set atom $i y ${y0} set atom 59 y ${y0} set atom 59 y 3.68945432467593 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 38 variable x0 equal ${xi} variable x0 equal 9.09958864171057 variable y0 equal ${yi} variable y0 equal 2.75573046180108 set atom $i x ${xnew} set atom 38 x ${xnew} set atom 38 x 9.14239051062613 1 settings made for x set atom $i y ${ynew} set atom 38 y ${ynew} set atom 38 y 2.80157202454903 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2426 -2.9871562 -2.6690997 -2.6567992 2427 -2.9871562 -2.6690997 -2.6545743 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 38 x ${x0} set atom 38 x 9.09958864171057 1 settings made for x set atom $i y ${y0} set atom 38 y ${y0} set atom 38 y 2.75573046180108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 37 variable x0 equal ${xi} variable x0 equal 8.45325187602465 variable y0 equal ${yi} variable y0 equal 1.81180926940507 set atom $i x ${xnew} set atom 37 x ${xnew} set atom 37 x 8.50780906835024 1 settings made for x set atom $i y ${ynew} set atom 37 y ${ynew} set atom 37 y 1.87973840615815 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2427 -2.9871562 -2.6690997 -2.6545743 2428 -2.9871562 -2.6690997 -2.6729801 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.67298006464133 variable naccept equal ${increment} variable naccept equal 441 next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.52396155435811 variable y0 equal ${yi} variable y0 equal 3.76348131461275 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.6178116782404 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.72792121930254 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2428 -2.9871562 -2.6729801 -2.6729801 2429 -2.9871562 -2.6729801 -2.640504 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 55 x ${x0} set atom 55 x 7.52396155435811 1 settings made for x set atom $i y ${y0} set atom 55 y ${y0} set atom 55 y 3.76348131461275 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 9 variable x0 equal ${xi} variable x0 equal 4.27178276856155 variable y0 equal ${yi} variable y0 equal 0.00600513219834582 set atom $i x ${xnew} set atom 9 x ${xnew} set atom 9 x 4.3109632023117 1 settings made for x set atom $i y ${ynew} set atom 9 y ${ynew} set atom 9 y 0.0800031304359557 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2429 -2.9871562 -2.6729801 -2.640504 2430 -2.9871562 -2.6729801 -2.6518772 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 9 x ${x0} set atom 9 x 4.27178276856155 1 settings made for x set atom $i y ${y0} set atom 9 y ${y0} set atom 9 y 0.00600513219834582 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.24420675992527 variable y0 equal ${yi} variable y0 equal 3.73567457957399 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.30029886722126 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.63569141192567 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2430 -2.9871562 -2.6729801 -2.6518772 2431 -2.9871562 -2.6729801 -2.6322507 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.24420675992527 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.73567457957399 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.74727117021515 variable y0 equal ${yi} variable y0 equal 6.50648560062877 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.67225971420242 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.52231688038341 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2431 -2.9871562 -2.6729801 -2.6322507 2432 -2.9871562 -2.6729801 -2.6611896 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 66 x ${x0} set atom 66 x 2.74727117021515 1 settings made for x set atom $i y ${y0} set atom 66 y ${y0} set atom 66 y 6.50648560062877 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.87285548408023 variable y0 equal ${yi} variable y0 equal 8.36937119878825 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.90365315635196 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.41949571289119 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2432 -2.9871562 -2.6729801 -2.6611896 2433 -2.9871562 -2.6729801 -2.6685407 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.87285548408023 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.36937119878825 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.40156468867379 variable y0 equal ${yi} variable y0 equal 0.00304889678955437 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.43548999547082 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y 0.0614332914352453 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2433 -2.9871562 -2.6729801 -2.6685407 2434 -2.9871562 -2.6729801 -2.6623911 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.40156468867379 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 0.00304889678955437 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.26957070906373 variable y0 equal ${yi} variable y0 equal 1.93462480685777 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.21101167280885 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 2.02581204555101 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2434 -2.9871562 -2.6729801 -2.6623911 2435 -2.9871562 -2.6729801 -2.6227442 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.26957070906373 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.93462480685777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.82160441517171 variable y0 equal ${yi} variable y0 equal 8.38617150701579 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.75844916939077 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.31827254213389 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2435 -2.9871562 -2.6729801 -2.6227442 2436 -2.9871562 -2.6729801 -2.6593175 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.82160441517171 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.38617150701579 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.6009168970563 variable y0 equal ${yi} variable y0 equal 0.937610264528124 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.6808315741994 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.98436072658333 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2436 -2.9871562 -2.6729801 -2.6593175 2437 -2.9871562 -2.6729801 -2.657141 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.6009168970563 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.937610264528124 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 86 variable x0 equal ${xi} variable x0 equal 2.71264111001922 variable y0 equal ${yi} variable y0 equal 8.37165092147884 set atom $i x ${xnew} set atom 86 x ${xnew} set atom 86 x 2.6136439700885 1 settings made for x set atom $i y ${ynew} set atom 86 y ${ynew} set atom 86 y 8.41902798332271 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2437 -2.9871562 -2.6729801 -2.657141 2438 -2.9871562 -2.6729801 -2.6466705 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 86 x ${x0} set atom 86 x 2.71264111001922 1 settings made for x set atom $i y ${y0} set atom 86 y ${y0} set atom 86 y 8.37165092147884 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.89040735601722 variable y0 equal ${yi} variable y0 equal 6.45623155371179 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.87026623129188 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.43623380199899 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2438 -2.9871562 -2.6729801 -2.6466705 2439 -2.9871562 -2.6729801 -2.6708032 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.89040735601722 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.45623155371179 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.95025718807079 variable y0 equal ${yi} variable y0 equal 0.949378951299518 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.87472111581661 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 1.02108964513573 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2439 -2.9871562 -2.6729801 -2.6708032 2440 -2.9871562 -2.6729801 -2.6450257 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.95025718807079 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.949378951299518 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.57288145302412 variable y0 equal ${yi} variable y0 equal 3.68945432467593 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.66196238278028 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.608541579677 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2440 -2.9871562 -2.6729801 -2.6450257 2441 -2.9871562 -2.6729801 -2.6665315 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 59 x ${x0} set atom 59 x 9.57288145302412 1 settings made for x set atom $i y ${y0} set atom 59 y ${y0} set atom 59 y 3.68945432467593 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 42 variable x0 equal ${xi} variable x0 equal 0.500509889522458 variable y0 equal ${yi} variable y0 equal 4.59161240214273 set atom $i x ${xnew} set atom 42 x ${xnew} set atom 42 x 0.569605214992429 1 settings made for x set atom $i y ${ynew} set atom 42 y ${ynew} set atom 42 y 4.62976808899805 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2441 -2.9871562 -2.6729801 -2.6665315 2442 -2.9871562 -2.6729801 -2.6703263 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 42 x ${x0} set atom 42 x 0.500509889522458 1 settings made for x set atom $i y ${y0} set atom 42 y ${y0} set atom 42 y 4.59161240214273 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 41 variable x0 equal ${xi} variable x0 equal 10.7038741310291 variable y0 equal ${yi} variable y0 equal 3.65389419360293 set atom $i x ${xnew} set atom 41 x ${xnew} set atom 41 x 10.6394732673816 1 settings made for x set atom $i y ${ynew} set atom 41 y ${ynew} set atom 41 y 3.67210212512148 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2442 -2.9871562 -2.6729801 -2.6703263 2443 -2.9871562 -2.6729801 -2.6657046 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 41 x ${x0} set atom 41 x 10.7038741310291 1 settings made for x set atom $i y ${y0} set atom 41 y ${y0} set atom 41 y 3.65389419360293 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.78193971434718 variable y0 equal ${yi} variable y0 equal 8.31736352361736 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.8602925590623 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.40810329832134 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2443 -2.9871562 -2.6729801 -2.6657046 2444 -2.9871562 -2.6729801 -2.6431594 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.78193971434718 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.31736352361736 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.74727117021515 variable y0 equal ${yi} variable y0 equal 6.50648560062877 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.81875602205231 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.46671911016933 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2444 -2.9871562 -2.6729801 -2.6431594 2445 -2.9871562 -2.6729801 -2.6589458 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 66 x ${x0} set atom 66 x 2.74727117021515 1 settings made for x set atom $i y ${y0} set atom 66 y ${y0} set atom 66 y 6.50648560062877 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.525174053111937 variable y0 equal ${yi} variable y0 equal 0.894475575197066 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.505471845069792 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.807812817800368 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2445 -2.9871562 -2.6729801 -2.6589458 2446 -2.9871562 -2.6729801 -2.6605795 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.525174053111937 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.894475575197066 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.65179307659102 variable y0 equal ${yi} variable y0 equal 2.85066882344583 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.62607493598891 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 2.94128836366037 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2446 -2.9871562 -2.6729801 -2.6605795 2447 -2.9871562 -2.6729801 -2.6349945 Loop time of 3.98159e-05 on 1 procs for 1 steps with 100 atoms 2511.6% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 26 x ${x0} set atom 26 x 2.65179307659102 1 settings made for x set atom $i y ${y0} set atom 26 y ${y0} set atom 26 y 2.85066882344583 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 6.99553199091598 variable y0 equal ${yi} variable y0 equal 8.37164120592174 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 6.93915987291976 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.43049979127941 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2447 -2.9871562 -2.6729801 -2.6349945 2448 -2.9871562 -2.6729801 -2.6696187 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 6.99553199091598 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.37164120592174 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 23 variable x0 equal ${xi} variable x0 equal 1.07343188841992 variable y0 equal ${yi} variable y0 equal 1.85961672446793 set atom $i x ${xnew} set atom 23 x ${xnew} set atom 23 x 1.13405762036496 1 settings made for x set atom $i y ${ynew} set atom 23 y ${ynew} set atom 23 y 1.91971053264206 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2448 -2.9871562 -2.6729801 -2.6696187 2449 -2.9871562 -2.6729801 -2.6523994 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 23 x ${x0} set atom 23 x 1.07343188841992 1 settings made for x set atom $i y ${y0} set atom 23 y ${y0} set atom 23 y 1.85961672446793 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.59829139590045 variable y0 equal ${yi} variable y0 equal 2.77385951253275 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.62670646786471 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.76773884269098 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2449 -2.9871562 -2.6729801 -2.6523994 2450 -2.9871562 -2.6729801 -2.6723259 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 24 x ${x0} set atom 24 x 1.59829139590045 1 settings made for x set atom $i y ${y0} set atom 24 y ${y0} set atom 24 y 2.77385951253275 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.74727117021515 variable y0 equal ${yi} variable y0 equal 6.50648560062877 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.71998424728348 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.55711456076137 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2450 -2.9871562 -2.6729801 -2.6723259 2451 -2.9871562 -2.6729801 -2.6613657 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 66 x ${x0} set atom 66 x 2.74727117021515 1 settings made for x set atom $i y ${y0} set atom 66 y ${y0} set atom 66 y 6.50648560062877 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.98550258834353 variable y0 equal ${yi} variable y0 equal 6.47227353588572 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 6.05613430697909 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.54370138184062 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2451 -2.9871562 -2.6729801 -2.6613657 2452 -2.9871562 -2.6729801 -2.6406402 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 72 x ${x0} set atom 72 x 5.98550258834353 1 settings made for x set atom $i y ${y0} set atom 72 y ${y0} set atom 72 y 6.47227353588572 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.525174053111937 variable y0 equal ${yi} variable y0 equal 0.894475575197066 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.554133351245787 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.858190162885512 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2452 -2.9871562 -2.6729801 -2.6406402 2453 -2.9871562 -2.6729801 -2.6662407 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.525174053111937 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.894475575197066 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 0.0324913382529836 variable y0 equal ${yi} variable y0 equal 5.50569564049439 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 0.062061429023705 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.47091410105423 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2453 -2.9871562 -2.6729801 -2.6662407 2454 -2.9871562 -2.6729801 -2.6606036 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 61 x ${x0} set atom 61 x 0.0324913382529836 1 settings made for x set atom $i y ${y0} set atom 61 y ${y0} set atom 61 y 5.50569564049439 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.88060106316253 variable y0 equal ${yi} variable y0 equal 0.960105260122139 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.90220784226104 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 0.913237865674812 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2454 -2.9871562 -2.6729801 -2.6606036 2455 -2.9871562 -2.6729801 -2.6723665 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.88060106316253 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 0.960105260122139 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.81670362273342 variable y0 equal ${yi} variable y0 equal 2.85977786752084 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.90643909493572 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.87744742604593 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2455 -2.9871562 -2.6729801 -2.6723665 2456 -2.9871562 -2.6729801 -2.6410619 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.81670362273342 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.85977786752084 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.16921079794274 variable y0 equal ${yi} variable y0 equal 1.86157575032777 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.21827521959649 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.83304312608308 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2456 -2.9871562 -2.6729801 -2.6410619 2457 -2.9871562 -2.6729801 -2.6621578 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.16921079794274 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.86157575032777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.58521930454847 variable y0 equal ${yi} variable y0 equal 1.81828533790177 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.63759286879179 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.79007758281296 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2457 -2.9871562 -2.6729801 -2.6621578 2458 -2.9871562 -2.6729801 -2.6677494 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 39 x ${x0} set atom 39 x 9.58521930454847 1 settings made for x set atom $i y ${y0} set atom 39 y ${y0} set atom 39 y 1.81828533790177 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 49 variable x0 equal ${xi} variable x0 equal 4.37311956961365 variable y0 equal ${yi} variable y0 equal 3.73546738190782 set atom $i x ${xnew} set atom 49 x ${xnew} set atom 49 x 4.33963643391342 1 settings made for x set atom $i y ${ynew} set atom 49 y ${ynew} set atom 49 y 3.83546374602449 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2458 -2.9871562 -2.6729801 -2.6677494 2459 -2.9871562 -2.6729801 -2.640633 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 49 x ${x0} set atom 49 x 4.37311956961365 1 settings made for x set atom $i y ${y0} set atom 49 y ${y0} set atom 49 y 3.73546738190782 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.80623258868343 variable y0 equal ${yi} variable y0 equal 6.50073292986383 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.84689959803707 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.46320098177423 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2459 -2.9871562 -2.6729801 -2.640633 2460 -2.9871562 -2.6729801 -2.672404 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 68 x ${x0} set atom 68 x 3.80623258868343 1 settings made for x set atom $i y ${y0} set atom 68 y ${y0} set atom 68 y 6.50073292986383 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.4643855285557 variable y0 equal ${yi} variable y0 equal 3.79889360232483 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.43750552653391 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.71109053654801 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2460 -2.9871562 -2.6729801 -2.672404 2461 -2.9871562 -2.6729801 -2.6750718 Loop time of 7.9155e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.67507182580089 variable naccept equal ${increment} variable naccept equal 442 next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.80623258868343 variable y0 equal ${yi} variable y0 equal 6.50073292986383 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.8275111011613 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.48541394011011 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2461 -2.9871562 -2.6750718 -2.6750718 2462 -2.9871562 -2.6750718 -2.6758756 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.67587562013179 variable naccept equal ${increment} variable naccept equal 443 next iter jump SELF loop variable i equal ${irandom} variable i equal 99 variable x0 equal ${xi} variable x0 equal 9.7112571763861 variable y0 equal ${yi} variable y0 equal 7.38156818475986 set atom $i x ${xnew} set atom 99 x ${xnew} set atom 99 x 9.71089048861144 1 settings made for x set atom $i y ${ynew} set atom 99 y ${ynew} set atom 99 y 7.37073431339527 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2462 -2.9871562 -2.6758756 -2.6758756 2463 -2.9871562 -2.6758756 -2.6752564 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 99 x ${x0} set atom 99 x 9.7112571763861 1 settings made for x set atom $i y ${y0} set atom 99 y ${y0} set atom 99 y 7.38156818475986 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.16921079794274 variable y0 equal ${yi} variable y0 equal 1.86157575032777 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.07854169050561 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.79039312980241 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2463 -2.9871562 -2.6758756 -2.6752564 2464 -2.9871562 -2.6758756 -2.6540239 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.16921079794274 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.86157575032777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.64148960311842 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.62794814461633 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2464 -2.9871562 -2.6758756 -2.6540239 2465 -2.9871562 -2.6758756 -2.6569978 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.31596373716261 variable y0 equal ${yi} variable y0 equal 1.83819601914949 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.27601794401075 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.81100696704454 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2465 -2.9871562 -2.6758756 -2.6569978 2466 -2.9871562 -2.6758756 -2.6685331 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 31 x ${x0} set atom 31 x 5.31596373716261 1 settings made for x set atom $i y ${y0} set atom 31 y ${y0} set atom 31 y 1.83819601914949 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.525174053111937 variable y0 equal ${yi} variable y0 equal 0.894475575197066 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.568958397308257 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.891818888891066 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2466 -2.9871562 -2.6758756 -2.6685331 2467 -2.9871562 -2.6758756 -2.6703556 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.525174053111937 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.894475575197066 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 0.0324913382529836 variable y0 equal ${yi} variable y0 equal 5.50569564049439 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 0.0931103110313039 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.47361640875535 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2467 -2.9871562 -2.6758756 -2.6703556 2468 -2.9871562 -2.6758756 -2.6546219 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 61 x ${x0} set atom 61 x 0.0324913382529836 1 settings made for x set atom $i y ${y0} set atom 61 y ${y0} set atom 61 y 5.50569564049439 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.56843688645784 variable y0 equal ${yi} variable y0 equal 5.60343744700151 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.60410251775209 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.67671769802766 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2468 -2.9871562 -2.6758756 -2.6546219 2469 -2.9871562 -2.6758756 -2.6701366 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.56843688645784 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.60343744700151 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.82160441517171 variable y0 equal ${yi} variable y0 equal 8.38617150701579 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.74202143787679 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.40473294176158 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2469 -2.9871562 -2.6758756 -2.6701366 2470 -2.9871562 -2.6758756 -2.6552347 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.82160441517171 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.38617150701579 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 10.7447922309093 variable y0 equal ${yi} variable y0 equal 1.85953156135149 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x 10.7978355963878 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.83505871675081 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2470 -2.9871562 -2.6758756 -2.6552347 2471 -2.9871562 -2.6758756 -2.6723551 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 21 x ${x0} set atom 21 x 10.7447922309093 1 settings made for x set atom $i y ${y0} set atom 21 y ${y0} set atom 21 y 1.85953156135149 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 87 variable x0 equal ${xi} variable x0 equal 3.21955398082295 variable y0 equal ${yi} variable y0 equal 7.40080375995898 set atom $i x ${xnew} set atom 87 x ${xnew} set atom 87 x 3.16306031703511 1 settings made for x set atom $i y ${ynew} set atom 87 y ${ynew} set atom 87 y 7.45442326393389 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2471 -2.9871562 -2.6758756 -2.6723551 2472 -2.9871562 -2.6758756 -2.6612081 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 87 x ${x0} set atom 87 x 3.21955398082295 1 settings made for x set atom $i y ${y0} set atom 87 y ${y0} set atom 87 y 7.40080375995898 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.58521930454847 variable y0 equal ${yi} variable y0 equal 1.81828533790177 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.62048832653639 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.7839539088971 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2472 -2.9871562 -2.6758756 -2.6612081 2473 -2.9871562 -2.6758756 -2.6719253 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 39 x ${x0} set atom 39 x 9.58521930454847 1 settings made for x set atom $i y ${y0} set atom 39 y ${y0} set atom 39 y 1.81828533790177 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.43750552653391 variable y0 equal ${yi} variable y0 equal 3.71109053654801 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.46872171877939 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.63189066214692 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2473 -2.9871562 -2.6758756 -2.6719253 2474 -2.9871562 -2.6758756 -2.6479025 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 53 x ${x0} set atom 53 x 6.43750552653391 1 settings made for x set atom $i y ${y0} set atom 53 y ${y0} set atom 53 y 3.71109053654801 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.30972831010381 variable y0 equal ${yi} variable y0 equal 5.57299091761308 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.29802477120916 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.57190024798112 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2474 -2.9871562 -2.6758756 -2.6479025 2475 -2.9871562 -2.6758756 -2.6760465 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.67604647212514 variable naccept equal ${increment} variable naccept equal 444 next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.22492432355444 variable y0 equal ${yi} variable y0 equal 0.0240613460540867 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.22542145013372 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y 0.116746926307688 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2475 -2.9871562 -2.6760465 -2.6760465 2476 -2.9871562 -2.6760465 -2.6555658 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 7 x ${x0} set atom 7 x 3.22492432355444 1 settings made for x set atom $i y ${y0} set atom 7 y ${y0} set atom 7 y 0.0240613460540867 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 10 variable x0 equal ${xi} variable x0 equal 4.77766234516441 variable y0 equal ${yi} variable y0 equal 0.927607925641864 set atom $i x ${xnew} set atom 10 x ${xnew} set atom 10 x 4.81945318817436 1 settings made for x set atom $i y ${ynew} set atom 10 y ${ynew} set atom 10 y 0.972488828409045 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2476 -2.9871562 -2.6760465 -2.6555658 2477 -2.9871562 -2.6760465 -2.6681725 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 10 x ${x0} set atom 10 x 4.77766234516441 1 settings made for x set atom $i y ${y0} set atom 10 y ${y0} set atom 10 y 0.927607925641864 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.41745940843489 variable y0 equal ${yi} variable y0 equal 5.54884942715364 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.43266175189879 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.62533801739412 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2477 -2.9871562 -2.6760465 -2.6681725 2478 -2.9871562 -2.6760465 -2.6656715 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.41745940843489 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.54884942715364 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.58521930454847 variable y0 equal ${yi} variable y0 equal 1.81828533790177 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.54385236977216 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.79902594468659 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2478 -2.9871562 -2.6760465 -2.6656715 2479 -2.9871562 -2.6760465 -2.6717637 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 39 x ${x0} set atom 39 x 9.58521930454847 1 settings made for x set atom $i y ${y0} set atom 39 y ${y0} set atom 39 y 1.81828533790177 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.05432130693294 variable y0 equal ${yi} variable y0 equal 8.31604041971262 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.1252069651971 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.31877472318705 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2479 -2.9871562 -2.6760465 -2.6717637 2480 -2.9871562 -2.6760465 -2.6619571 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.05432130693294 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.31604041971262 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.43750552653391 variable y0 equal ${yi} variable y0 equal 3.71109053654801 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.38054412125666 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.63811403079163 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2480 -2.9871562 -2.6760465 -2.6619571 2481 -2.9871562 -2.6760465 -2.6272267 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 53 x ${x0} set atom 53 x 6.43750552653391 1 settings made for x set atom $i y ${y0} set atom 53 y ${y0} set atom 53 y 3.71109053654801 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.56843688645784 variable y0 equal ${yi} variable y0 equal 5.60343744700151 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.63255620160524 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.62287912314134 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2481 -2.9871562 -2.6760465 -2.6272267 2482 -2.9871562 -2.6760465 -2.6724834 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.56843688645784 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.60343744700151 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.05432130693294 variable y0 equal ${yi} variable y0 equal 8.31604041971262 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.1429072439561 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.27161590971048 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2482 -2.9871562 -2.6760465 -2.6724834 2483 -2.9871562 -2.6760465 -2.646136 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.05432130693294 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.31604041971262 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 50 variable x0 equal ${xi} variable x0 equal 4.95790398954688 variable y0 equal ${yi} variable y0 equal 4.55875416153833 set atom $i x ${xnew} set atom 50 x ${xnew} set atom 50 x 4.90190082430182 1 settings made for x set atom $i y ${ynew} set atom 50 y ${ynew} set atom 50 y 4.64044535511896 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2483 -2.9871562 -2.6760465 -2.646136 2484 -2.9871562 -2.6760465 -2.6869445 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.68694449246806 variable naccept equal ${increment} variable naccept equal 445 next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.98550258834353 variable y0 equal ${yi} variable y0 equal 6.47227353588572 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 5.96551856954089 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.44962929026118 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2484 -2.9871562 -2.6869445 -2.6869445 2485 -2.9871562 -2.6869445 -2.6868966 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.68689656181847 variable naccept equal ${increment} variable naccept equal 446 next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.41745940843489 variable y0 equal ${yi} variable y0 equal 5.54884942715364 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.43822470107939 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.50241793339448 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2485 -2.9871562 -2.6868966 -2.6868966 2486 -2.9871562 -2.6868966 -2.6731725 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.41745940843489 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.54884942715364 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.92034897763721 variable y0 equal ${yi} variable y0 equal 2.80042437287667 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.83638107736103 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.79404927464822 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2486 -2.9871562 -2.6868966 -2.6731725 2487 -2.9871562 -2.6868966 -2.659627 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 32 x ${x0} set atom 32 x 5.92034897763721 1 settings made for x set atom $i y ${y0} set atom 32 y ${y0} set atom 32 y 2.80042437287667 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.59001860499163 variable y0 equal ${yi} variable y0 equal 4.68076303357049 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.68512376427431 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.7540370499508 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2487 -2.9871562 -2.6868966 -2.659627 2488 -2.9871562 -2.6868966 -2.6702329 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.59001860499163 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.68076303357049 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.89040735601722 variable y0 equal ${yi} variable y0 equal 6.45623155371179 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.80190362572013 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.40830033556451 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2488 -2.9871562 -2.6868966 -2.6702329 2489 -2.9871562 -2.6868966 -2.6603666 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.89040735601722 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.45623155371179 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 87 variable x0 equal ${xi} variable x0 equal 3.21955398082295 variable y0 equal ${yi} variable y0 equal 7.40080375995898 set atom $i x ${xnew} set atom 87 x ${xnew} set atom 87 x 3.13023570537129 1 settings made for x set atom $i y ${ynew} set atom 87 y ${ynew} set atom 87 y 7.32527170505786 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2489 -2.9871562 -2.6868966 -2.6603666 2490 -2.9871562 -2.6868966 -2.6000911 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 87 x ${x0} set atom 87 x 3.21955398082295 1 settings made for x set atom $i y ${y0} set atom 87 y ${y0} set atom 87 y 7.40080375995898 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.94641846377841 variable y0 equal ${yi} variable y0 equal 4.67712874764368 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 5.87901177365771 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.63237179869577 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2490 -2.9871562 -2.6868966 -2.6000911 2491 -2.9871562 -2.6868966 -2.6840578 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 5.94641846377841 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.67712874764368 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 9 variable x0 equal ${xi} variable x0 equal 4.27178276856155 variable y0 equal ${yi} variable y0 equal 0.00600513219834582 set atom $i x ${xnew} set atom 9 x ${xnew} set atom 9 x 4.3465277798912 1 settings made for x set atom $i y ${ynew} set atom 9 y ${ynew} set atom 9 y -0.038505995273578 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2491 -2.9871562 -2.6868966 -2.6840578 2492 -2.9871562 -2.6868966 -2.6617074 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 9 x ${x0} set atom 9 x 4.27178276856155 1 settings made for x set atom $i y ${y0} set atom 9 y ${y0} set atom 9 y 0.00600513219834582 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 37 variable x0 equal ${xi} variable x0 equal 8.50780906835024 variable y0 equal ${yi} variable y0 equal 1.87973840615815 set atom $i x ${xnew} set atom 37 x ${xnew} set atom 37 x 8.51648090043489 1 settings made for x set atom $i y ${ynew} set atom 37 y ${ynew} set atom 37 y 1.84042694947785 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2492 -2.9871562 -2.6868966 -2.6617074 2493 -2.9871562 -2.6868966 -2.6926426 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.69264255296387 variable naccept equal ${increment} variable naccept equal 447 next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.545649071136379 variable y0 equal ${yi} variable y0 equal 2.77431966039041 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.471776421466732 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.85544481250146 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2493 -2.9871562 -2.6926426 -2.6926426 2494 -2.9871562 -2.6926426 -2.6675103 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.545649071136379 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.77431966039041 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.26957070906373 variable y0 equal ${yi} variable y0 equal 1.93462480685777 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.3041320331833 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 2.00528960607118 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2494 -2.9871562 -2.6926426 -2.6675103 2495 -2.9871562 -2.6926426 -2.6753679 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.26957070906373 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.93462480685777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 23 variable x0 equal ${xi} variable x0 equal 1.07343188841992 variable y0 equal ${yi} variable y0 equal 1.85961672446793 set atom $i x ${xnew} set atom 23 x ${xnew} set atom 23 x 0.998586347896391 1 settings made for x set atom $i y ${ynew} set atom 23 y ${ynew} set atom 23 y 1.8273900666005 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2495 -2.9871562 -2.6926426 -2.6753679 2496 -2.9871562 -2.6926426 -2.682896 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 23 x ${x0} set atom 23 x 1.07343188841992 1 settings made for x set atom $i y ${y0} set atom 23 y ${y0} set atom 23 y 1.85961672446793 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.31596373716261 variable y0 equal ${yi} variable y0 equal 1.83819601914949 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.39202789464857 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.79635786197252 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2496 -2.9871562 -2.6926426 -2.682896 2497 -2.9871562 -2.6926426 -2.6682906 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 31 x ${x0} set atom 31 x 5.31596373716261 1 settings made for x set atom $i y ${y0} set atom 31 y ${y0} set atom 31 y 1.83819601914949 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.2013416862444 variable y0 equal ${yi} variable y0 equal 1.98039417645997 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.19985853194753 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 1.9827362098462 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2497 -2.9871562 -2.6926426 -2.6682906 2498 -2.9871562 -2.6926426 -2.6923119 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 27 x ${x0} set atom 27 x 3.2013416862444 1 settings made for x set atom $i y ${y0} set atom 27 y ${y0} set atom 27 y 1.98039417645997 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 36 variable x0 equal ${xi} variable x0 equal 8.01815503238536 variable y0 equal ${yi} variable y0 equal 2.72729808064798 set atom $i x ${xnew} set atom 36 x ${xnew} set atom 36 x 7.96342524885036 1 settings made for x set atom $i y ${ynew} set atom 36 y ${ynew} set atom 36 y 2.71862456771234 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2498 -2.9871562 -2.6926426 -2.6923119 2499 -2.9871562 -2.6926426 -2.6811371 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 36 x ${x0} set atom 36 x 8.01815503238536 1 settings made for x set atom $i y ${y0} set atom 36 y ${y0} set atom 36 y 2.72729808064798 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.98599239308387 variable y0 equal ${yi} variable y0 equal 0.925951715219346 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 8.97111774403602 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 0.847791083562699 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2499 -2.9871562 -2.6926426 -2.6811371 2500 -2.9871562 -2.6926426 -2.665093 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 8.98599239308387 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.925951715219346 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 84 variable x0 equal ${xi} variable x0 equal 1.63794375538607 variable y0 equal ${yi} variable y0 equal 8.371298693791 set atom $i x ${xnew} set atom 84 x ${xnew} set atom 84 x 1.66552203774233 1 settings made for x set atom $i y ${ynew} set atom 84 y ${ynew} set atom 84 y 8.42365395940837 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2500 -2.9871562 -2.6926426 -2.665093 2501 -2.9871562 -2.6926426 -2.6831547 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 84 x ${x0} set atom 84 x 1.63794375538607 1 settings made for x set atom $i y ${y0} set atom 84 y ${y0} set atom 84 y 8.371298693791 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.18122052589761 variable y0 equal ${yi} variable y0 equal 7.43532284822726 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.16076294819223 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.39294575777316 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2501 -2.9871562 -2.6926426 -2.6831547 2502 -2.9871562 -2.6926426 -2.6900641 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.18122052589761 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.43532284822726 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 17 variable x0 equal ${xi} variable x0 equal 8.56200896659319 variable y0 equal ${yi} variable y0 equal 9.2929022978577 set atom $i x ${xnew} set atom 17 x ${xnew} set atom 17 x 8.52370623507921 1 settings made for x set atom $i y ${ynew} set atom 17 y ${ynew} set atom 17 y 9.39268836486667 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2502 -2.9871562 -2.6926426 -2.6900641 2503 -2.9871562 -2.6926426 -2.6694697 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 17 x ${x0} set atom 17 x 8.56200896659319 1 settings made for x set atom $i y ${y0} set atom 17 y ${y0} set atom 17 y 9.2929022978577 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.16921079794274 variable y0 equal ${yi} variable y0 equal 1.86157575032777 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.21297804752694 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.78955631635255 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2503 -2.9871562 -2.6926426 -2.6694697 2504 -2.9871562 -2.6926426 -2.6752054 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.16921079794274 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.86157575032777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.80759401837473 variable y0 equal ${yi} variable y0 equal 4.6440585290806 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.82209716359263 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.67436261528894 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2504 -2.9871562 -2.6926426 -2.6752054 2505 -2.9871562 -2.6926426 -2.6884218 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.80759401837473 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.6440585290806 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 12 variable x0 equal ${xi} variable x0 equal 5.84254707057468 variable y0 equal ${yi} variable y0 equal 0.912364717233509 set atom $i x ${xnew} set atom 12 x ${xnew} set atom 12 x 5.75489987094394 1 settings made for x set atom $i y ${ynew} set atom 12 y ${ynew} set atom 12 y 0.970988412607044 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2505 -2.9871562 -2.6926426 -2.6884218 2506 -2.9871562 -2.6926426 -2.6654725 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 12 x ${x0} set atom 12 x 5.84254707057468 1 settings made for x set atom $i y ${y0} set atom 12 y ${y0} set atom 12 y 0.912364717233509 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.41745940843489 variable y0 equal ${yi} variable y0 equal 5.54884942715364 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.36826337972548 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.59279017393785 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2506 -2.9871562 -2.6926426 -2.6654725 2507 -2.9871562 -2.6926426 -2.6812879 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.41745940843489 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.54884942715364 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.545649071136379 variable y0 equal ${yi} variable y0 equal 2.77431966039041 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.634184368053341 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.79075897904733 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2507 -2.9871562 -2.6926426 -2.6812879 2508 -2.9871562 -2.6926426 -2.6687403 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.545649071136379 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.77431966039041 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 9 variable x0 equal ${xi} variable x0 equal 4.27178276856155 variable y0 equal ${yi} variable y0 equal 0.00600513219834582 set atom $i x ${xnew} set atom 9 x ${xnew} set atom 9 x 4.31960460026474 1 settings made for x set atom $i y ${ynew} set atom 9 y ${ynew} set atom 9 y -0.0533848404884218 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2508 -2.9871562 -2.6926426 -2.6687403 2509 -2.9871562 -2.6926426 -2.6775192 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 9 x ${x0} set atom 9 x 4.27178276856155 1 settings made for x set atom $i y ${y0} set atom 9 y ${y0} set atom 9 y 0.00600513219834582 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.32252682526322 variable y0 equal ${yi} variable y0 equal 7.38917808857226 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.32041905005189 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.34070321645999 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2509 -2.9871562 -2.6926426 -2.6775192 2510 -2.9871562 -2.6926426 -2.6828459 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.32252682526322 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.38917808857226 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.43750552653391 variable y0 equal ${yi} variable y0 equal 3.71109053654801 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.47742998122294 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.76617543263566 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2510 -2.9871562 -2.6926426 -2.6828459 2511 -2.9871562 -2.6926426 -2.6958995 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.69589950401615 variable naccept equal ${increment} variable naccept equal 448 next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.31596373716261 variable y0 equal ${yi} variable y0 equal 1.83819601914949 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.41443130174543 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.8335958041913 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2511 -2.9871562 -2.6958995 -2.6958995 2512 -2.9871562 -2.6958995 -2.6631698 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 31 x ${x0} set atom 31 x 5.31596373716261 1 settings made for x set atom $i y ${y0} set atom 31 y ${y0} set atom 31 y 1.83819601914949 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.32252682526322 variable y0 equal ${yi} variable y0 equal 7.38917808857226 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.28435096819611 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.40754920568728 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2512 -2.9871562 -2.6958995 -2.6631698 2513 -2.9871562 -2.6958995 -2.694946 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.32252682526322 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.38917808857226 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.26957070906373 variable y0 equal ${yi} variable y0 equal 1.93462480685777 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.18528815586778 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.92469724795884 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2513 -2.9871562 -2.6958995 -2.694946 2514 -2.9871562 -2.6958995 -2.6698044 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.26957070906373 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.93462480685777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.64328949609225 variable y0 equal ${yi} variable y0 equal 7.40728055563236 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.72738070645755 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.45948853817249 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2514 -2.9871562 -2.6958995 -2.6698044 2515 -2.9871562 -2.6958995 -2.6849349 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 97 x ${x0} set atom 97 x 8.64328949609225 1 settings made for x set atom $i y ${y0} set atom 97 y ${y0} set atom 97 y 7.40728055563236 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 98 variable x0 equal ${xi} variable x0 equal 9.09545654971154 variable y0 equal ${yi} variable y0 equal 8.37382508434351 set atom $i x ${xnew} set atom 98 x ${xnew} set atom 98 x 9.161497602053 1 settings made for x set atom $i y ${ynew} set atom 98 y ${ynew} set atom 98 y 8.37068205989893 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2515 -2.9871562 -2.6958995 -2.6849349 2516 -2.9871562 -2.6958995 -2.6857567 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 98 x ${x0} set atom 98 x 9.09545654971154 1 settings made for x set atom $i y ${y0} set atom 98 y ${y0} set atom 98 y 8.37382508434351 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.23979663292276 variable y0 equal ${yi} variable y0 equal 5.5713402385016 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.3296460811268 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.58626275007921 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2516 -2.9871562 -2.6958995 -2.6857567 2517 -2.9871562 -2.6958995 -2.6657376 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.23979663292276 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.5713402385016 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.94641846377841 variable y0 equal ${yi} variable y0 equal 4.67712874764368 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 5.99058518369189 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.66074750775263 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2517 -2.9871562 -2.6958995 -2.6657376 2518 -2.9871562 -2.6958995 -2.6908942 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 5.94641846377841 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.67712874764368 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.74727117021515 variable y0 equal ${yi} variable y0 equal 6.50648560062877 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.73009599645569 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.54209098354808 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2518 -2.9871562 -2.6958995 -2.6908942 2519 -2.9871562 -2.6958995 -2.6889645 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 66 x ${x0} set atom 66 x 2.74727117021515 1 settings made for x set atom $i y ${y0} set atom 66 y ${y0} set atom 66 y 6.50648560062877 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.36143123308087 variable y0 equal ${yi} variable y0 equal 7.41034705963397 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.28303878703976 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.50500270452762 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2519 -2.9871562 -2.6958995 -2.6889645 2520 -2.9871562 -2.6958995 -2.6645118 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.36143123308087 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.41034705963397 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.8275111011613 variable y0 equal ${yi} variable y0 equal 6.48541394011011 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.82892417231685 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.49794392124643 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2520 -2.9871562 -2.6958995 -2.6645118 2521 -2.9871562 -2.6958995 -2.6948008 Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms 2496.6% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 68 x ${x0} set atom 68 x 3.8275111011613 1 settings made for x set atom $i y ${y0} set atom 68 y ${y0} set atom 68 y 6.48541394011011 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.545649071136379 variable y0 equal ${yi} variable y0 equal 2.77431966039041 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.542552276054287 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.78936891528467 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2521 -2.9871562 -2.6958995 -2.6948008 2522 -2.9871562 -2.6958995 -2.6961678 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.6961677805902 variable naccept equal ${increment} variable naccept equal 449 next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.32252682526322 variable y0 equal ${yi} variable y0 equal 7.38917808857226 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.37552396137925 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.38425133552813 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2522 -2.9871562 -2.6961678 -2.6961678 2523 -2.9871562 -2.6961678 -2.6873989 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.32252682526322 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.38917808857226 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.88060106316253 variable y0 equal ${yi} variable y0 equal 0.960105260122139 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.82990014830276 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 1.00548795055183 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2523 -2.9871562 -2.6961678 -2.6873989 2524 -2.9871562 -2.6961678 -2.6835296 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.88060106316253 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 0.960105260122139 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.59001860499163 variable y0 equal ${yi} variable y0 equal 4.68076303357049 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.49497903466006 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.60304630154534 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2524 -2.9871562 -2.6961678 -2.6835296 2525 -2.9871562 -2.6961678 -2.6637259 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.59001860499163 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.68076303357049 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.58521930454847 variable y0 equal ${yi} variable y0 equal 1.81828533790177 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.52427670239088 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.76765001199311 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2525 -2.9871562 -2.6961678 -2.6637259 2526 -2.9871562 -2.6961678 -2.6816515 Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms 2496.6% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 39 x ${x0} set atom 39 x 9.58521930454847 1 settings made for x set atom $i y ${y0} set atom 39 y ${y0} set atom 39 y 1.81828533790177 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.40156468867379 variable y0 equal ${yi} variable y0 equal 0.00304889678955437 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.44209136485177 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y -0.0953646898269617 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2526 -2.9871562 -2.6961678 -2.6816515 2527 -2.9871562 -2.6961678 -2.6824967 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.40156468867379 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 0.00304889678955437 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 0.0324913382529836 variable y0 equal ${yi} variable y0 equal 5.50569564049439 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x -0.0512205719948191 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.43324025814728 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2527 -2.9871562 -2.6961678 -2.6824967 2528 -2.9871562 -2.6961678 -2.677284 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 61 x ${x0} set atom 61 x 0.0324913382529836 1 settings made for x set atom $i y ${y0} set atom 61 y ${y0} set atom 61 y 5.50569564049439 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.52396155435811 variable y0 equal ${yi} variable y0 equal 3.76348131461275 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.53332637388478 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.68295677466524 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2528 -2.9871562 -2.6961678 -2.677284 2529 -2.9871562 -2.6961678 -2.6932554 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 55 x ${x0} set atom 55 x 7.52396155435811 1 settings made for x set atom $i y ${y0} set atom 55 y ${y0} set atom 55 y 3.76348131461275 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.68984863638659 variable y0 equal ${yi} variable y0 equal 6.46641751066677 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.67359857439776 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.53233353630535 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2529 -2.9871562 -2.6961678 -2.6932554 2530 -2.9871562 -2.6961678 -2.6944322 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.68984863638659 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.46641751066677 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 6.99553199091598 variable y0 equal ${yi} variable y0 equal 8.37164120592174 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 7.05685017386123 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.4623811355978 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2530 -2.9871562 -2.6961678 -2.6944322 2531 -2.9871562 -2.6961678 -2.6674652 Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms 2496.6% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 6.99553199091598 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.37164120592174 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.78193971434718 variable y0 equal ${yi} variable y0 equal 8.31736352361736 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.74395711938029 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.29059977449474 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2531 -2.9871562 -2.6961678 -2.6674652 2532 -2.9871562 -2.6961678 -2.6921928 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.78193971434718 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.31736352361736 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.74727117021515 variable y0 equal ${yi} variable y0 equal 6.50648560062877 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.78658100564911 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.4304710103654 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2532 -2.9871562 -2.6961678 -2.6921928 2533 -2.9871562 -2.6961678 -2.6868598 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 66 x ${x0} set atom 66 x 2.74727117021515 1 settings made for x set atom $i y ${y0} set atom 66 y ${y0} set atom 66 y 6.50648560062877 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.36143123308087 variable y0 equal ${yi} variable y0 equal 7.41034705963397 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.30052438178921 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.48109097805285 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2533 -2.9871562 -2.6961678 -2.6868598 2534 -2.9871562 -2.6961678 -2.6779658 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.36143123308087 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.41034705963397 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.11356125195676 variable y0 equal ${yi} variable y0 equal 3.71681254668367 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 1.08030164559537 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.75154196782243 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2534 -2.9871562 -2.6961678 -2.6779658 2535 -2.9871562 -2.6961678 -2.6933173 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 43 x ${x0} set atom 43 x 1.11356125195676 1 settings made for x set atom $i y ${y0} set atom 43 y ${y0} set atom 43 y 3.71681254668367 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.5878455599004 variable y0 equal ${yi} variable y0 equal 9.28117802846759 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.5279774625951 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 9.32322272765964 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2535 -2.9871562 -2.6961678 -2.6933173 2536 -2.9871562 -2.6961678 -2.6648417 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 1 x ${x0} set atom 1 x 10.5878455599004 1 settings made for x set atom $i y ${y0} set atom 1 y ${y0} set atom 1 y 9.28117802846759 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.1636192683241 variable y0 equal ${yi} variable y0 equal 2.70693036290506 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.188491762068 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.73674997063974 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2536 -2.9871562 -2.6961678 -2.6648417 2537 -2.9871562 -2.6961678 -2.698014 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.69801396675776 variable naccept equal ${increment} variable naccept equal 450 next iter jump SELF loop variable i equal ${irandom} variable i equal 98 variable x0 equal ${xi} variable x0 equal 9.09545654971154 variable y0 equal ${yi} variable y0 equal 8.37382508434351 set atom $i x ${xnew} set atom 98 x ${xnew} set atom 98 x 9.1309702249244 1 settings made for x set atom $i y ${ynew} set atom 98 y ${ynew} set atom 98 y 8.39277704872187 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2537 -2.9871562 -2.698014 -2.698014 2538 -2.9871562 -2.698014 -2.695023 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 98 x ${x0} set atom 98 x 9.09545654971154 1 settings made for x set atom $i y ${y0} set atom 98 y ${y0} set atom 98 y 8.37382508434351 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 84 variable x0 equal ${xi} variable x0 equal 1.63794375538607 variable y0 equal ${yi} variable y0 equal 8.371298693791 set atom $i x ${xnew} set atom 84 x ${xnew} set atom 84 x 1.71306710123797 1 settings made for x set atom $i y ${ynew} set atom 84 y ${ynew} set atom 84 y 8.39491246856746 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2538 -2.9871562 -2.698014 -2.695023 2539 -2.9871562 -2.698014 -2.6815982 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 84 x ${x0} set atom 84 x 1.63794375538607 1 settings made for x set atom $i y ${y0} set atom 84 y ${y0} set atom 84 y 8.371298693791 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.58521930454847 variable y0 equal ${yi} variable y0 equal 1.81828533790177 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.60361686228391 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.87668323895997 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2539 -2.9871562 -2.698014 -2.6815982 2540 -2.9871562 -2.698014 -2.6933638 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 39 x ${x0} set atom 39 x 9.58521930454847 1 settings made for x set atom $i y ${y0} set atom 39 y ${y0} set atom 39 y 1.81828533790177 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.41745940843489 variable y0 equal ${yi} variable y0 equal 5.54884942715364 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.32826618352797 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.55577976649004 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2540 -2.9871562 -2.698014 -2.6933638 2541 -2.9871562 -2.698014 -2.6717815 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.41745940843489 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.54884942715364 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.82160441517171 variable y0 equal ${yi} variable y0 equal 8.38617150701579 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.85353361009893 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.36821463026103 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2541 -2.9871562 -2.698014 -2.6717815 2542 -2.9871562 -2.698014 -2.6967447 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.82160441517171 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.38617150701579 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.11976422666408 variable y0 equal ${yi} variable y0 equal 6.57524594799509 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 8.18596313594676 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.58775347010126 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2542 -2.9871562 -2.698014 -2.6967447 2543 -2.9871562 -2.698014 -2.659146 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 76 x ${x0} set atom 76 x 8.11976422666408 1 settings made for x set atom $i y ${y0} set atom 76 y ${y0} set atom 76 y 6.57524594799509 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.68296865423155 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.7715963994877 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2543 -2.9871562 -2.698014 -2.659146 2544 -2.9871562 -2.698014 -2.6427479 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 6.99553199091598 variable y0 equal ${yi} variable y0 equal 8.37164120592174 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 6.93040358105346 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.45145515121517 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2544 -2.9871562 -2.698014 -2.6427479 2545 -2.9871562 -2.698014 -2.6889534 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 6.99553199091598 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.37164120592174 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 23 variable x0 equal ${xi} variable x0 equal 1.07343188841992 variable y0 equal ${yi} variable y0 equal 1.85961672446793 set atom $i x ${xnew} set atom 23 x ${xnew} set atom 23 x 1.05475207884961 1 settings made for x set atom $i y ${ynew} set atom 23 y ${ynew} set atom 23 y 1.94112024686402 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2545 -2.9871562 -2.698014 -2.6889534 2546 -2.9871562 -2.698014 -2.6778952 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 23 x ${x0} set atom 23 x 1.07343188841992 1 settings made for x set atom $i y ${y0} set atom 23 y ${y0} set atom 23 y 1.85961672446793 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.8275111011613 variable y0 equal ${yi} variable y0 equal 6.48541394011011 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.80389782706386 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.40803216234674 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2546 -2.9871562 -2.698014 -2.6778952 2547 -2.9871562 -2.698014 -2.6852409 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 68 x ${x0} set atom 68 x 3.8275111011613 1 settings made for x set atom $i y ${y0} set atom 68 y ${y0} set atom 68 y 6.48541394011011 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 38 variable x0 equal ${xi} variable x0 equal 9.09958864171057 variable y0 equal ${yi} variable y0 equal 2.75573046180108 set atom $i x ${xnew} set atom 38 x ${xnew} set atom 38 x 9.14799176175146 1 settings made for x set atom $i y ${ynew} set atom 38 y ${ynew} set atom 38 y 2.74966537925103 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2547 -2.9871562 -2.698014 -2.6852409 2548 -2.9871562 -2.698014 -2.6922106 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 38 x ${x0} set atom 38 x 9.09958864171057 1 settings made for x set atom $i y ${y0} set atom 38 y ${y0} set atom 38 y 2.75573046180108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.40156468867379 variable y0 equal ${yi} variable y0 equal 0.00304889678955437 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.49694004773217 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y -0.0702461838722193 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2548 -2.9871562 -2.698014 -2.6922106 2549 -2.9871562 -2.698014 -2.6808514 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.40156468867379 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 0.00304889678955437 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.542552276054287 variable y0 equal ${yi} variable y0 equal 2.78936891528467 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.637862213054562 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.74931192370752 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2549 -2.9871562 -2.698014 -2.6808514 2550 -2.9871562 -2.698014 -2.6673197 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.542552276054287 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.78936891528467 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 99 variable x0 equal ${xi} variable x0 equal 9.7112571763861 variable y0 equal ${yi} variable y0 equal 7.38156818475986 set atom $i x ${xnew} set atom 99 x ${xnew} set atom 99 x 9.81075823782562 1 settings made for x set atom $i y ${ynew} set atom 99 y ${ynew} set atom 99 y 7.42048241224552 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2550 -2.9871562 -2.698014 -2.6673197 2551 -2.9871562 -2.698014 -2.6585309 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 99 x ${x0} set atom 99 x 9.7112571763861 1 settings made for x set atom $i y ${y0} set atom 99 y ${y0} set atom 99 y 7.38156818475986 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 75 variable x0 equal ${xi} variable x0 equal 7.52148601848851 variable y0 equal ${yi} variable y0 equal 5.57813051884371 set atom $i x ${xnew} set atom 75 x ${xnew} set atom 75 x 7.53690113861333 1 settings made for x set atom $i y ${ynew} set atom 75 y ${ynew} set atom 75 y 5.60041694586474 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2551 -2.9871562 -2.698014 -2.6585309 2552 -2.9871562 -2.698014 -2.6971636 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 75 x ${x0} set atom 75 x 7.52148601848851 1 settings made for x set atom $i y ${y0} set atom 75 y ${y0} set atom 75 y 5.57813051884371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 49 variable x0 equal ${xi} variable x0 equal 4.37311956961365 variable y0 equal ${yi} variable y0 equal 3.73546738190782 set atom $i x ${xnew} set atom 49 x ${xnew} set atom 49 x 4.29980197031708 1 settings made for x set atom $i y ${ynew} set atom 49 y ${ynew} set atom 49 y 3.71884295506608 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2552 -2.9871562 -2.698014 -2.6971636 2553 -2.9871562 -2.698014 -2.689947 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 49 x ${x0} set atom 49 x 4.37311956961365 1 settings made for x set atom $i y ${y0} set atom 49 y ${y0} set atom 49 y 3.73546738190782 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.27820665040876 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y -0.0742270112037684 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2553 -2.9871562 -2.698014 -2.689947 2554 -2.9871562 -2.698014 -2.6742052 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.2013416862444 variable y0 equal ${yi} variable y0 equal 1.98039417645997 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.13897298335591 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 1.9303927459485 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2554 -2.9871562 -2.698014 -2.6742052 2555 -2.9871562 -2.698014 -2.6858788 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 27 x ${x0} set atom 27 x 3.2013416862444 1 settings made for x set atom $i y ${y0} set atom 27 y ${y0} set atom 27 y 1.98039417645997 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 87 variable x0 equal ${xi} variable x0 equal 3.21955398082295 variable y0 equal ${yi} variable y0 equal 7.40080375995898 set atom $i x ${xnew} set atom 87 x ${xnew} set atom 87 x 3.26613374709645 1 settings made for x set atom $i y ${ynew} set atom 87 y ${ynew} set atom 87 y 7.43164389457965 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2555 -2.9871562 -2.698014 -2.6858788 2556 -2.9871562 -2.698014 -2.7006348 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.70063479489847 variable naccept equal ${increment} variable naccept equal 451 next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.12605889161282 variable y0 equal ${yi} variable y0 equal 7.46482060280108 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.21953285058194 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.54418562975192 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2556 -2.9871562 -2.7006348 -2.7006348 2557 -2.9871562 -2.7006348 -2.6377546 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.12605889161282 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.46482060280108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 37 variable x0 equal ${xi} variable x0 equal 8.51648090043489 variable y0 equal ${yi} variable y0 equal 1.84042694947785 set atom $i x ${xnew} set atom 37 x ${xnew} set atom 37 x 8.55357514777605 1 settings made for x set atom $i y ${ynew} set atom 37 y ${ynew} set atom 37 y 1.92715486667222 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2557 -2.9871562 -2.7006348 -2.6377546 2558 -2.9871562 -2.7006348 -2.6766686 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 37 x ${x0} set atom 37 x 8.51648090043489 1 settings made for x set atom $i y ${y0} set atom 37 y ${y0} set atom 37 y 1.84042694947785 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.47742998122294 variable y0 equal ${yi} variable y0 equal 3.76617543263566 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.40229851721842 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.7651808933748 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2558 -2.9871562 -2.7006348 -2.6766686 2559 -2.9871562 -2.7006348 -2.689228 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 53 x ${x0} set atom 53 x 6.47742998122294 1 settings made for x set atom $i y ${y0} set atom 53 y ${y0} set atom 53 y 3.76617543263566 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 10 variable x0 equal ${xi} variable x0 equal 4.77766234516441 variable y0 equal ${yi} variable y0 equal 0.927607925641864 set atom $i x ${xnew} set atom 10 x ${xnew} set atom 10 x 4.79551150440513 1 settings made for x set atom $i y ${ynew} set atom 10 y ${ynew} set atom 10 y 0.87845972369942 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2559 -2.9871562 -2.7006348 -2.689228 2560 -2.9871562 -2.7006348 -2.6917273 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 10 x ${x0} set atom 10 x 4.77766234516441 1 settings made for x set atom $i y ${y0} set atom 10 y ${y0} set atom 10 y 0.927607925641864 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.78193971434718 variable y0 equal ${yi} variable y0 equal 8.31736352361736 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.81128548899775 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.31695167936382 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2560 -2.9871562 -2.7006348 -2.6917273 2561 -2.9871562 -2.7006348 -2.6980912 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.78193971434718 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.31736352361736 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.92034897763721 variable y0 equal ${yi} variable y0 equal 2.80042437287667 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.83175660331241 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.879074680532 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2561 -2.9871562 -2.7006348 -2.6980912 2562 -2.9871562 -2.7006348 -2.5604699 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 32 x ${x0} set atom 32 x 5.92034897763721 1 settings made for x set atom $i y ${y0} set atom 32 y ${y0} set atom 32 y 2.80042437287667 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.11356125195676 variable y0 equal ${yi} variable y0 equal 3.71681254668367 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 1.12192881425077 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.70080264372957 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2562 -2.9871562 -2.7006348 -2.5604699 2563 -2.9871562 -2.7006348 -2.6995958 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 43 x ${x0} set atom 43 x 1.11356125195676 1 settings made for x set atom $i y ${y0} set atom 43 y ${y0} set atom 43 y 3.71681254668367 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.40156468867379 variable y0 equal ${yi} variable y0 equal 0.00304889678955437 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.39674942015725 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y -0.0597492098808253 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2563 -2.9871562 -2.7006348 -2.6995958 2564 -2.9871562 -2.7006348 -2.6963255 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.40156468867379 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 0.00304889678955437 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.96551856954089 variable y0 equal ${yi} variable y0 equal 6.44962929026118 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 5.9971891279935 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.39527924791804 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2564 -2.9871562 -2.7006348 -2.6963255 2565 -2.9871562 -2.7006348 -2.6895607 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 72 x ${x0} set atom 72 x 5.96551856954089 1 settings made for x set atom $i y ${y0} set atom 72 y ${y0} set atom 72 y 6.44962929026118 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.87285548408023 variable y0 equal ${yi} variable y0 equal 8.36937119878825 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.78233742673389 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.37443318285045 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2565 -2.9871562 -2.7006348 -2.6895607 2566 -2.9871562 -2.7006348 -2.6743015 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.87285548408023 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.36937119878825 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.00678724327727 variable y0 equal ${yi} variable y0 equal 4.66030267828866 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.08966980257674 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.71512214297219 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2566 -2.9871562 -2.7006348 -2.6743015 2567 -2.9871562 -2.7006348 -2.681152 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.00678724327727 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.66030267828866 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.1851203922291 variable y0 equal ${yi} variable y0 equal 0.955667336690753 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.2831909779568 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 1.02215185951027 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2567 -2.9871562 -2.7006348 -2.681152 2568 -2.9871562 -2.7006348 -2.6647078 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 20 x ${x0} set atom 20 x 10.1851203922291 1 settings made for x set atom $i y ${y0} set atom 20 y ${y0} set atom 20 y 0.955667336690753 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.57288145302412 variable y0 equal ${yi} variable y0 equal 3.68945432467593 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.52349410532591 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.60588275952472 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2568 -2.9871562 -2.7006348 -2.6647078 2569 -2.9871562 -2.7006348 -2.6606655 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 59 x ${x0} set atom 59 x 9.57288145302412 1 settings made for x set atom $i y ${y0} set atom 59 y ${y0} set atom 59 y 3.68945432467593 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.89040735601722 variable y0 equal ${yi} variable y0 equal 6.45623155371179 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.95194928287803 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.5126018597268 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2569 -2.9871562 -2.7006348 -2.6606655 2570 -2.9871562 -2.7006348 -2.6862804 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.89040735601722 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.45623155371179 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 62 variable x0 equal ${xi} variable x0 equal 0.654104717174436 variable y0 equal ${yi} variable y0 equal 6.49111358658304 set atom $i x ${xnew} set atom 62 x ${xnew} set atom 62 x 0.737294288078214 1 settings made for x set atom $i y ${ynew} set atom 62 y ${ynew} set atom 62 y 6.50633165375223 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2570 -2.9871562 -2.7006348 -2.6862804 2571 -2.9871562 -2.7006348 -2.6676421 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 62 x ${x0} set atom 62 x 0.654104717174436 1 settings made for x set atom $i y ${y0} set atom 62 y ${y0} set atom 62 y 6.49111358658304 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 49 variable x0 equal ${xi} variable x0 equal 4.37311956961365 variable y0 equal ${yi} variable y0 equal 3.73546738190782 set atom $i x ${xnew} set atom 49 x ${xnew} set atom 49 x 4.35138355572434 1 settings made for x set atom $i y ${ynew} set atom 49 y ${ynew} set atom 49 y 3.66874072117937 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2571 -2.9871562 -2.7006348 -2.6676421 2572 -2.9871562 -2.7006348 -2.6815645 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 49 x ${x0} set atom 49 x 4.37311956961365 1 settings made for x set atom $i y ${y0} set atom 49 y ${y0} set atom 49 y 3.73546738190782 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.29802477120916 variable y0 equal ${yi} variable y0 equal 5.57190024798112 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.34885059356252 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.58310182039933 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2572 -2.9871562 -2.7006348 -2.6815645 2573 -2.9871562 -2.7006348 -2.6950072 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 67 x ${x0} set atom 67 x 3.29802477120916 1 settings made for x set atom $i y ${y0} set atom 67 y ${y0} set atom 67 y 5.57190024798112 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.6009168970563 variable y0 equal ${yi} variable y0 equal 0.937610264528124 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.54963209509631 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.855540295350878 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2573 -2.9871562 -2.7006348 -2.6950072 2574 -2.9871562 -2.7006348 -2.6910874 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.6009168970563 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.937610264528124 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 63 variable x0 equal ${xi} variable x0 equal 1.09178573210888 variable y0 equal ${yi} variable y0 equal 5.57776011173921 set atom $i x ${xnew} set atom 63 x ${xnew} set atom 63 x 1.10569001753979 1 settings made for x set atom $i y ${ynew} set atom 63 y ${ynew} set atom 63 y 5.63939816897111 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2574 -2.9871562 -2.7006348 -2.6910874 2575 -2.9871562 -2.7006348 -2.6835747 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 63 x ${x0} set atom 63 x 1.09178573210888 1 settings made for x set atom $i y ${y0} set atom 63 y ${y0} set atom 63 y 5.57776011173921 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 42 variable x0 equal ${xi} variable x0 equal 0.500509889522458 variable y0 equal ${yi} variable y0 equal 4.59161240214273 set atom $i x ${xnew} set atom 42 x ${xnew} set atom 42 x 0.584043617645169 1 settings made for x set atom $i y ${ynew} set atom 42 y ${ynew} set atom 42 y 4.55639323347971 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2575 -2.9871562 -2.7006348 -2.6835747 2576 -2.9871562 -2.7006348 -2.6915681 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 42 x ${x0} set atom 42 x 0.500509889522458 1 settings made for x set atom $i y ${y0} set atom 42 y ${y0} set atom 42 y 4.59161240214273 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.41745940843489 variable y0 equal ${yi} variable y0 equal 5.54884942715364 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.3473601738539 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.57445806210237 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2576 -2.9871562 -2.7006348 -2.6915681 2577 -2.9871562 -2.7006348 -2.6841246 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.41745940843489 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.54884942715364 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.29028950968 variable y0 equal ${yi} variable y0 equal 6.46599212423793 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.2349726323149 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.46799464956752 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2577 -2.9871562 -2.7006348 -2.6841246 2578 -2.9871562 -2.7006348 -2.6946657 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.29028950968 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.46599212423793 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.23979663292276 variable y0 equal ${yi} variable y0 equal 5.5713402385016 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.30197534004556 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.54876764958101 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2578 -2.9871562 -2.7006348 -2.6946657 2579 -2.9871562 -2.7006348 -2.6798604 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.23979663292276 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.5713402385016 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 35 variable x0 equal ${xi} variable x0 equal 7.41105691034568 variable y0 equal ${yi} variable y0 equal 1.86285059831208 set atom $i x ${xnew} set atom 35 x ${xnew} set atom 35 x 7.46691363889945 1 settings made for x set atom $i y ${ynew} set atom 35 y ${ynew} set atom 35 y 1.83050130984849 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2579 -2.9871562 -2.7006348 -2.6798604 2580 -2.9871562 -2.7006348 -2.694572 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 35 x ${x0} set atom 35 x 7.41105691034568 1 settings made for x set atom $i y ${y0} set atom 35 y ${y0} set atom 35 y 1.86285059831208 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.95025718807079 variable y0 equal ${yi} variable y0 equal 0.949378951299518 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.9284785330186 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 1.03043286393914 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2580 -2.9871562 -2.7006348 -2.694572 2581 -2.9871562 -2.7006348 -2.6817646 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.95025718807079 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.949378951299518 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.98549635687515 variable y0 equal ${yi} variable y0 equal 2.82734158011773 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 6.96506712713882 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.91911294432977 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2581 -2.9871562 -2.7006348 -2.6817646 2582 -2.9871562 -2.7006348 -2.681941 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.98549635687515 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.82734158011773 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.96551856954089 variable y0 equal ${yi} variable y0 equal 6.44962929026118 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 6.02212908227435 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.52897243038645 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2582 -2.9871562 -2.7006348 -2.681941 2583 -2.9871562 -2.7006348 -2.6866911 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 72 x ${x0} set atom 72 x 5.96551856954089 1 settings made for x set atom $i y ${y0} set atom 72 y ${y0} set atom 72 y 6.44962929026118 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.2013416862444 variable y0 equal ${yi} variable y0 equal 1.98039417645997 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.17962225436726 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 2.04807496450013 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2583 -2.9871562 -2.7006348 -2.6866911 2584 -2.9871562 -2.7006348 -2.6783451 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 27 x ${x0} set atom 27 x 3.2013416862444 1 settings made for x set atom $i y ${y0} set atom 27 y ${y0} set atom 27 y 1.98039417645997 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.54984512486879 variable y0 equal ${yi} variable y0 equal 3.69442252679001 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.58966868081514 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.69221943183075 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2584 -2.9871562 -2.7006348 -2.6783451 2585 -2.9871562 -2.7006348 -2.6953982 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.54984512486879 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.69442252679001 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.87285548408023 variable y0 equal ${yi} variable y0 equal 8.36937119878825 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.94838156659595 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.39943413652476 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2585 -2.9871562 -2.7006348 -2.6953982 2586 -2.9871562 -2.7006348 -2.6948096 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.87285548408023 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.36937119878825 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 33 variable x0 equal ${xi} variable x0 equal 6.35099447487909 variable y0 equal ${yi} variable y0 equal 1.92307773015564 set atom $i x ${xnew} set atom 33 x ${xnew} set atom 33 x 6.44518744467813 1 settings made for x set atom $i y ${ynew} set atom 33 y ${ynew} set atom 33 y 1.89759155891007 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2586 -2.9871562 -2.7006348 -2.6948096 2587 -2.9871562 -2.7006348 -2.6934663 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 33 x ${x0} set atom 33 x 6.35099447487909 1 settings made for x set atom $i y ${y0} set atom 33 y ${y0} set atom 33 y 1.92307773015564 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.59001860499163 variable y0 equal ${yi} variable y0 equal 4.68076303357049 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.64809929013033 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.61340254897042 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2587 -2.9871562 -2.7006348 -2.6934663 2588 -2.9871562 -2.7006348 -2.6945833 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.59001860499163 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.68076303357049 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.80759401837473 variable y0 equal ${yi} variable y0 equal 4.6440585290806 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.78755337515955 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.65580582970545 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2588 -2.9871562 -2.7006348 -2.6945833 2589 -2.9871562 -2.7006348 -2.6985824 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.80759401837473 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.6440585290806 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.12605889161282 variable y0 equal ${yi} variable y0 equal 7.46482060280108 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.07443509419613 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.51801632967257 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2589 -2.9871562 -2.7006348 -2.6985824 2590 -2.9871562 -2.7006348 -2.6948938 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.12605889161282 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.46482060280108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.96551856954089 variable y0 equal ${yi} variable y0 equal 6.44962929026118 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 5.92684092481128 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.36417243019572 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2590 -2.9871562 -2.7006348 -2.6948938 2591 -2.9871562 -2.7006348 -2.6717669 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 72 x ${x0} set atom 72 x 5.96551856954089 1 settings made for x set atom $i y ${y0} set atom 72 y ${y0} set atom 72 y 6.44962929026118 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.31596373716261 variable y0 equal ${yi} variable y0 equal 1.83819601914949 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.26395225921538 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.81124366900987 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2591 -2.9871562 -2.7006348 -2.6717669 2592 -2.9871562 -2.7006348 -2.6902124 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 31 x ${x0} set atom 31 x 5.31596373716261 1 settings made for x set atom $i y ${y0} set atom 31 y ${y0} set atom 31 y 1.83819601914949 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.94641846377841 variable y0 equal ${yi} variable y0 equal 4.67712874764368 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 5.87756260592929 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.6061620151417 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2592 -2.9871562 -2.7006348 -2.6902124 2593 -2.9871562 -2.7006348 -2.6977179 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 5.94641846377841 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.67712874764368 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 12 variable x0 equal ${xi} variable x0 equal 5.84254707057468 variable y0 equal ${yi} variable y0 equal 0.912364717233509 set atom $i x ${xnew} set atom 12 x ${xnew} set atom 12 x 5.88945846517078 1 settings made for x set atom $i y ${ynew} set atom 12 y ${ynew} set atom 12 y 0.881611307370991 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2593 -2.9871562 -2.7006348 -2.6977179 2594 -2.9871562 -2.7006348 -2.6899308 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 12 x ${x0} set atom 12 x 5.84254707057468 1 settings made for x set atom $i y ${y0} set atom 12 y ${y0} set atom 12 y 0.912364717233509 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.65179307659102 variable y0 equal ${yi} variable y0 equal 2.85066882344583 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.5671245237155 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 2.78788267346719 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2594 -2.9871562 -2.7006348 -2.6899308 2595 -2.9871562 -2.7006348 -2.6759031 Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms 2496.6% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 26 x ${x0} set atom 26 x 2.65179307659102 1 settings made for x set atom $i y ${y0} set atom 26 y ${y0} set atom 26 y 2.85066882344583 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.32252682526322 variable y0 equal ${yi} variable y0 equal 7.38917808857226 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.35463644345017 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.42256514158511 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2595 -2.9871562 -2.7006348 -2.6759031 2596 -2.9871562 -2.7006348 -2.6992857 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.32252682526322 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.38917808857226 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 49 variable x0 equal ${xi} variable x0 equal 4.37311956961365 variable y0 equal ${yi} variable y0 equal 3.73546738190782 set atom $i x ${xnew} set atom 49 x ${xnew} set atom 49 x 4.39878770191879 1 settings made for x set atom $i y ${ynew} set atom 49 y ${ynew} set atom 49 y 3.68452413840425 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2596 -2.9871562 -2.7006348 -2.6992857 2597 -2.9871562 -2.7006348 -2.6861069 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 49 x ${x0} set atom 49 x 4.37311956961365 1 settings made for x set atom $i y ${y0} set atom 49 y ${y0} set atom 49 y 3.73546738190782 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.6009168970563 variable y0 equal ${yi} variable y0 equal 0.937610264528124 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.59496410965701 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.98112608979973 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2597 -2.9871562 -2.7006348 -2.6861069 2598 -2.9871562 -2.7006348 -2.694682 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.6009168970563 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.937610264528124 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.92034897763721 variable y0 equal ${yi} variable y0 equal 2.80042437287667 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.82074961621753 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.86116967173913 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2598 -2.9871562 -2.7006348 -2.694682 2599 -2.9871562 -2.7006348 -2.5798502 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 32 x ${x0} set atom 32 x 5.92034897763721 1 settings made for x set atom $i y ${y0} set atom 32 y ${y0} set atom 32 y 2.80042437287667 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 0.0324913382529836 variable y0 equal ${yi} variable y0 equal 5.50569564049439 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x -0.0635516285896678 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.41439078991608 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2599 -2.9871562 -2.7006348 -2.5798502 2600 -2.9871562 -2.7006348 -2.6699839 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 61 x ${x0} set atom 61 x 0.0324913382529836 1 settings made for x set atom $i y ${y0} set atom 61 y ${y0} set atom 61 y 5.50569564049439 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.12605889161282 variable y0 equal ${yi} variable y0 equal 7.46482060280108 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.21224615891629 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.4017136367824 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2600 -2.9871562 -2.7006348 -2.6699839 2601 -2.9871562 -2.7006348 -2.6795513 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.12605889161282 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.46482060280108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 37 variable x0 equal ${xi} variable x0 equal 8.51648090043489 variable y0 equal ${yi} variable y0 equal 1.84042694947785 set atom $i x ${xnew} set atom 37 x ${xnew} set atom 37 x 8.46533149638597 1 settings made for x set atom $i y ${ynew} set atom 37 y ${ynew} set atom 37 y 1.84132162711686 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2601 -2.9871562 -2.7006348 -2.6795513 2602 -2.9871562 -2.7006348 -2.6949656 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 37 x ${x0} set atom 37 x 8.51648090043489 1 settings made for x set atom $i y ${y0} set atom 37 y ${y0} set atom 37 y 1.84042694947785 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.5055693610407 variable y0 equal ${yi} variable y0 equal 0.0092600703239441 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.558701358626 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y 0.0242168188095093 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2602 -2.9871562 -2.7006348 -2.6949656 2603 -2.9871562 -2.7006348 -2.6887503 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.5055693610407 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.0092600703239441 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.64328949609225 variable y0 equal ${yi} variable y0 equal 7.40728055563236 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.67711982884829 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.46412369337345 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2603 -2.9871562 -2.7006348 -2.6887503 2604 -2.9871562 -2.7006348 -2.7046452 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.70464519472648 variable naccept equal ${increment} variable naccept equal 452 next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.29028950968 variable y0 equal ${yi} variable y0 equal 6.46599212423793 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.3787669304869 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.50604328648082 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2604 -2.9871562 -2.7046452 -2.7046452 2605 -2.9871562 -2.7046452 -2.6852269 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.29028950968 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.46599212423793 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 0.0324913382529836 variable y0 equal ${yi} variable y0 equal 5.50569564049439 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 0.0419918060302358 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.43804975693421 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2605 -2.9871562 -2.7046452 -2.6852269 2606 -2.9871562 -2.7046452 -2.6832073 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 61 x ${x0} set atom 61 x 0.0324913382529836 1 settings made for x set atom $i y ${y0} set atom 61 y ${y0} set atom 61 y 5.50569564049439 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.525174053111937 variable y0 equal ${yi} variable y0 equal 0.894475575197066 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.535015495220091 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.810810240018691 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2606 -2.9871562 -2.7046452 -2.6832073 2607 -2.9871562 -2.7046452 -2.6891419 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.525174053111937 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.894475575197066 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.42980369408341 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.46108376925189 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2607 -2.9871562 -2.7046452 -2.6891419 2608 -2.9871562 -2.7046452 -2.6668171 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.542552276054287 variable y0 equal ${yi} variable y0 equal 2.78936891528467 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.572640962997341 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.70345852347711 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2608 -2.9871562 -2.7046452 -2.6668171 2609 -2.9871562 -2.7046452 -2.6857567 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.542552276054287 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.78936891528467 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.10495061277249 variable y0 equal ${yi} variable y0 equal 4.66507560366557 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.18309224246838 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.70779266709254 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2609 -2.9871562 -2.7046452 -2.6857567 2610 -2.9871562 -2.7046452 -2.6769771 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 56 x ${x0} set atom 56 x 8.10495061277249 1 settings made for x set atom $i y ${y0} set atom 56 y ${y0} set atom 56 y 4.66507560366557 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.542552276054287 variable y0 equal ${yi} variable y0 equal 2.78936891528467 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.552168138423824 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.72173788520197 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2610 -2.9871562 -2.7046452 -2.6769771 2611 -2.9871562 -2.7046452 -2.6954908 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.542552276054287 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.78936891528467 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.89040735601722 variable y0 equal ${yi} variable y0 equal 6.45623155371179 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.98746696352302 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.41155855194559 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2611 -2.9871562 -2.7046452 -2.6954908 2612 -2.9871562 -2.7046452 -2.6712565 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.89040735601722 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.45623155371179 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.2428034345236 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y -0.0612062573432947 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2612 -2.9871562 -2.7046452 -2.6712565 2613 -2.9871562 -2.7046452 -2.669377 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 86 variable x0 equal ${xi} variable x0 equal 2.71264111001922 variable y0 equal ${yi} variable y0 equal 8.37165092147884 set atom $i x ${xnew} set atom 86 x ${xnew} set atom 86 x 2.70592355926467 1 settings made for x set atom $i y ${ynew} set atom 86 y ${ynew} set atom 86 y 8.41815028108654 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2613 -2.9871562 -2.7046452 -2.669377 2614 -2.9871562 -2.7046452 -2.7013655 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 86 x ${x0} set atom 86 x 2.71264111001922 1 settings made for x set atom $i y ${y0} set atom 86 y ${y0} set atom 86 y 8.37165092147884 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.82160441517171 variable y0 equal ${yi} variable y0 equal 8.38617150701579 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.91230959533986 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.37542806781825 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2614 -2.9871562 -2.7046452 -2.7013655 2615 -2.9871562 -2.7046452 -2.6818408 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.82160441517171 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.38617150701579 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 35 variable x0 equal ${xi} variable x0 equal 7.41105691034568 variable y0 equal ${yi} variable y0 equal 1.86285059831208 set atom $i x ${xnew} set atom 35 x ${xnew} set atom 35 x 7.35859206754935 1 settings made for x set atom $i y ${ynew} set atom 35 y ${ynew} set atom 35 y 1.88430741212434 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2615 -2.9871562 -2.7046452 -2.6818408 2616 -2.9871562 -2.7046452 -2.6948068 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 35 x ${x0} set atom 35 x 7.41105691034568 1 settings made for x set atom $i y ${y0} set atom 35 y ${y0} set atom 35 y 1.86285059831208 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.13902074734077 variable y0 equal ${yi} variable y0 equal 9.29444277990191 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 2.13448198477134 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y 9.35304003465502 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2616 -2.9871562 -2.7046452 -2.6948068 2617 -2.9871562 -2.7046452 -2.7009348 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 2.13902074734077 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 9.29444277990191 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.59001860499163 variable y0 equal ${yi} variable y0 equal 4.68076303357049 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.56837597965975 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.77653905505105 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2617 -2.9871562 -2.7046452 -2.7009348 2618 -2.9871562 -2.7046452 -2.6647076 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.59001860499163 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.68076303357049 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.56843688645784 variable y0 equal ${yi} variable y0 equal 5.60343744700151 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.65119221368257 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.56243050043779 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2618 -2.9871562 -2.7046452 -2.6647076 2619 -2.9871562 -2.7046452 -2.6828524 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 77 x ${x0} set atom 77 x 8.56843688645784 1 settings made for x set atom $i y ${y0} set atom 77 y ${y0} set atom 77 y 5.60343744700151 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.6009168970563 variable y0 equal ${yi} variable y0 equal 0.937610264528124 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.53266681313296 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.898944528806536 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2619 -2.9871562 -2.7046452 -2.6828524 2620 -2.9871562 -2.7046452 -2.6960184 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.6009168970563 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.937610264528124 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 0.0324913382529836 variable y0 equal ${yi} variable y0 equal 5.50569564049439 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x -0.0270819187164683 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.51889411156373 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2620 -2.9871562 -2.7046452 -2.6960184 2621 -2.9871562 -2.7046452 -2.7048199 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.70481992988255 variable naccept equal ${increment} variable naccept equal 453 next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.95025718807079 variable y0 equal ${yi} variable y0 equal 0.949378951299518 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.97054464219906 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 0.868297572839588 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2621 -2.9871562 -2.7048199 -2.7048199 2622 -2.9871562 -2.7048199 -2.6913729 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.95025718807079 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.949378951299518 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.65179307659102 variable y0 equal ${yi} variable y0 equal 2.85066882344583 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.6904257078929 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 2.75636243792871 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2622 -2.9871562 -2.7048199 -2.6913729 2623 -2.9871562 -2.7048199 -2.6692649 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 26 x ${x0} set atom 26 x 2.65179307659102 1 settings made for x set atom $i y ${y0} set atom 26 y ${y0} set atom 26 y 2.85066882344583 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.82160441517171 variable y0 equal ${yi} variable y0 equal 8.38617150701579 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.84850091575917 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.41353768028315 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2623 -2.9871562 -2.7048199 -2.6692649 2624 -2.9871562 -2.7048199 -2.6984721 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.82160441517171 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.38617150701579 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.16288858372719 variable y0 equal ${yi} variable y0 equal 4.74496568793221 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.06848975140602 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.8065523182766 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2624 -2.9871562 -2.7048199 -2.6984721 2625 -2.9871562 -2.7048199 -2.6557221 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 58 x ${x0} set atom 58 x 9.16288858372719 1 settings made for x set atom $i y ${y0} set atom 58 y ${y0} set atom 58 y 4.74496568793221 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.40156468867379 variable y0 equal ${yi} variable y0 equal 0.00304889678955437 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.33254208087044 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y 0.0227779269218481 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2625 -2.9871562 -2.7048199 -2.6557221 2626 -2.9871562 -2.7048199 -2.6930625 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.40156468867379 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 0.00304889678955437 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 8 variable x0 equal ${xi} variable x0 equal 3.72890197554714 variable y0 equal ${yi} variable y0 equal 1.0604893166903 set atom $i x ${xnew} set atom 8 x ${xnew} set atom 8 x 3.73674124995357 1 settings made for x set atom $i y ${ynew} set atom 8 y ${ynew} set atom 8 y 1.07919786762032 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2626 -2.9871562 -2.7048199 -2.6930625 2627 -2.9871562 -2.7048199 -2.7003959 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 8 x ${x0} set atom 8 x 3.72890197554714 1 settings made for x set atom $i y ${y0} set atom 8 y ${y0} set atom 8 y 1.0604893166903 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.35495205322172 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y -0.091431069374087 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2627 -2.9871562 -2.7048199 -2.7003959 2628 -2.9871562 -2.7048199 -2.6856073 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.12605889161282 variable y0 equal ${yi} variable y0 equal 7.46482060280108 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.11725830157452 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.47841743555331 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2628 -2.9871562 -2.7048199 -2.6856073 2629 -2.9871562 -2.7048199 -2.704375 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.12605889161282 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.46482060280108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.11356125195676 variable y0 equal ${yi} variable y0 equal 3.71681254668367 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 1.18245015462094 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.65810405774248 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2629 -2.9871562 -2.7048199 -2.704375 2630 -2.9871562 -2.7048199 -2.6841672 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 43 x ${x0} set atom 43 x 1.11356125195676 1 settings made for x set atom $i y ${y0} set atom 43 y ${y0} set atom 43 y 3.71681254668367 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.74727117021515 variable y0 equal ${yi} variable y0 equal 6.50648560062877 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.75945490796997 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.47566335932247 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2630 -2.9871562 -2.7048199 -2.6841672 2631 -2.9871562 -2.7048199 -2.7030603 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.7030602545657 variable naccept equal ${increment} variable naccept equal 454 next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.15111655909569 variable y0 equal ${yi} variable y0 equal 6.52915453449718 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 9.13537685591728 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.61038380400173 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2631 -2.9871562 -2.7030603 -2.7030603 2632 -2.9871562 -2.7030603 -2.6727153 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 78 x ${x0} set atom 78 x 9.15111655909569 1 settings made for x set atom $i y ${y0} set atom 78 y ${y0} set atom 78 y 6.52915453449718 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 87 variable x0 equal ${xi} variable x0 equal 3.26613374709645 variable y0 equal ${yi} variable y0 equal 7.43164389457965 set atom $i x ${xnew} set atom 87 x ${xnew} set atom 87 x 3.362138137813 1 settings made for x set atom $i y ${ynew} set atom 87 y ${ynew} set atom 87 y 7.50452940788531 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2632 -2.9871562 -2.7030603 -2.6727153 2633 -2.9871562 -2.7030603 -2.6309462 Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 87 x ${x0} set atom 87 x 3.26613374709645 1 settings made for x set atom $i y ${y0} set atom 87 y ${y0} set atom 87 y 7.43164389457965 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.15111655909569 variable y0 equal ${yi} variable y0 equal 6.52915453449718 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 9.14633041340859 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.60855509773723 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2633 -2.9871562 -2.7030603 -2.6309462 2634 -2.9871562 -2.7030603 -2.6745678 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 78 x ${x0} set atom 78 x 9.15111655909569 1 settings made for x set atom $i y ${y0} set atom 78 y ${y0} set atom 78 y 6.52915453449718 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.29028950968 variable y0 equal ${yi} variable y0 equal 6.46599212423793 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.1980445388815 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.36676827208034 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2634 -2.9871562 -2.7030603 -2.6745678 2635 -2.9871562 -2.7030603 -2.6113513 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.29028950968 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.46599212423793 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 99 variable x0 equal ${xi} variable x0 equal 9.7112571763861 variable y0 equal ${yi} variable y0 equal 7.38156818475986 set atom $i x ${xnew} set atom 99 x ${xnew} set atom 99 x 9.65731989620803 1 settings made for x set atom $i y ${ynew} set atom 99 y ${ynew} set atom 99 y 7.30741226997638 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2635 -2.9871562 -2.7030603 -2.6113513 2636 -2.9871562 -2.7030603 -2.6610916 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 99 x ${x0} set atom 99 x 9.7112571763861 1 settings made for x set atom $i y ${y0} set atom 99 y ${y0} set atom 99 y 7.38156818475986 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.47742998122294 variable y0 equal ${yi} variable y0 equal 3.76617543263566 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.3933114957722 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.79016564650666 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2636 -2.9871562 -2.7030603 -2.6610916 2637 -2.9871562 -2.7030603 -2.6840348 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 53 x ${x0} set atom 53 x 6.47742998122294 1 settings made for x set atom $i y ${y0} set atom 53 y ${y0} set atom 53 y 3.76617543263566 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.80759401837473 variable y0 equal ${yi} variable y0 equal 4.6440585290806 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.84976321974878 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.70564747208521 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2637 -2.9871562 -2.7030603 -2.6840348 2638 -2.9871562 -2.7030603 -2.6851701 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.80759401837473 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.6440585290806 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.98549635687515 variable y0 equal ${yi} variable y0 equal 2.82734158011773 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 6.98761748352691 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.91910030814507 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2638 -2.9871562 -2.7030603 -2.6851701 2639 -2.9871562 -2.7030603 -2.6852697 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.98549635687515 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.82734158011773 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 99 variable x0 equal ${xi} variable x0 equal 9.7112571763861 variable y0 equal ${yi} variable y0 equal 7.38156818475986 set atom $i x ${xnew} set atom 99 x ${xnew} set atom 99 x 9.64772825716613 1 settings made for x set atom $i y ${ynew} set atom 99 y ${ynew} set atom 99 y 7.35689802494312 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2639 -2.9871562 -2.7030603 -2.6852697 2640 -2.9871562 -2.7030603 -2.6809284 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 99 x ${x0} set atom 99 x 9.7112571763861 1 settings made for x set atom $i y ${y0} set atom 99 y ${y0} set atom 99 y 7.38156818475986 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 50 variable x0 equal ${xi} variable x0 equal 4.90190082430182 variable y0 equal ${yi} variable y0 equal 4.64044535511896 set atom $i x ${xnew} set atom 50 x ${xnew} set atom 50 x 4.92057361244498 1 settings made for x set atom $i y ${ynew} set atom 50 y ${ynew} set atom 50 y 4.60940848940775 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2640 -2.9871562 -2.7030603 -2.6809284 2641 -2.9871562 -2.7030603 -2.7036524 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.70365237925636 variable naccept equal ${increment} variable naccept equal 455 next iter jump SELF loop variable i equal ${irandom} variable i equal 35 variable x0 equal ${xi} variable x0 equal 7.41105691034568 variable y0 equal ${yi} variable y0 equal 1.86285059831208 set atom $i x ${xnew} set atom 35 x ${xnew} set atom 35 x 7.3122910006739 1 settings made for x set atom $i y ${ynew} set atom 35 y ${ynew} set atom 35 y 1.83196628472871 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2641 -2.9871562 -2.7036524 -2.7036524 2642 -2.9871562 -2.7036524 -2.6697223 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 35 x ${x0} set atom 35 x 7.41105691034568 1 settings made for x set atom $i y ${y0} set atom 35 y ${y0} set atom 35 y 1.86285059831208 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.69106418092681 variable y0 equal ${yi} variable y0 equal 0.920749815214004 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.73956649501754 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 1.00193682502541 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2642 -2.9871562 -2.7036524 -2.6697223 2643 -2.9871562 -2.7036524 -2.6934608 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 6 x ${x0} set atom 6 x 2.69106418092681 1 settings made for x set atom $i y ${y0} set atom 6 y ${y0} set atom 6 y 0.920749815214004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.87783981203376 variable y0 equal ${yi} variable y0 equal 2.82051414224007 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 4.85706444620429 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.77346667023995 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2643 -2.9871562 -2.7036524 -2.6934608 2644 -2.9871562 -2.7036524 -2.7088546 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.70885460622655 variable naccept equal ${increment} variable naccept equal 456 next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.10495061277249 variable y0 equal ${yi} variable y0 equal 4.66507560366557 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.05216715930798 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.64304670447276 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2644 -2.9871562 -2.7088546 -2.7088546 2645 -2.9871562 -2.7088546 -2.7059721 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 56 x ${x0} set atom 56 x 8.10495061277249 1 settings made for x set atom $i y ${y0} set atom 56 y ${y0} set atom 56 y 4.66507560366557 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 10 variable x0 equal ${xi} variable x0 equal 4.77766234516441 variable y0 equal ${yi} variable y0 equal 0.927607925641864 set atom $i x ${xnew} set atom 10 x ${xnew} set atom 10 x 4.80039609312355 1 settings made for x set atom $i y ${ynew} set atom 10 y ${ynew} set atom 10 y 0.83455754112038 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2645 -2.9871562 -2.7088546 -2.7059721 2646 -2.9871562 -2.7088546 -2.6800889 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 10 x ${x0} set atom 10 x 4.77766234516441 1 settings made for x set atom $i y ${y0} set atom 10 y ${y0} set atom 10 y 0.927607925641864 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 30 variable x0 equal ${xi} variable x0 equal 4.85706444620429 variable y0 equal ${yi} variable y0 equal 2.77346667023995 set atom $i x ${xnew} set atom 30 x ${xnew} set atom 30 x 4.78567788242637 1 settings made for x set atom $i y ${ynew} set atom 30 y ${ynew} set atom 30 y 2.75696754428246 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2646 -2.9871562 -2.7088546 -2.6800889 2647 -2.9871562 -2.7088546 -2.6855561 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 30 x ${x0} set atom 30 x 4.85706444620429 1 settings made for x set atom $i y ${y0} set atom 30 y ${y0} set atom 30 y 2.77346667023995 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 41 variable x0 equal ${xi} variable x0 equal 10.7038741310291 variable y0 equal ${yi} variable y0 equal 3.65389419360293 set atom $i x ${xnew} set atom 41 x ${xnew} set atom 41 x 10.7540793140583 1 settings made for x set atom $i y ${ynew} set atom 41 y ${ynew} set atom 41 y 3.69223694367541 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2647 -2.9871562 -2.7088546 -2.6855561 2648 -2.9871562 -2.7088546 -2.7056937 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 41 x ${x0} set atom 41 x 10.7038741310291 1 settings made for x set atom $i y ${y0} set atom 41 y ${y0} set atom 41 y 3.65389419360293 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.42922221818829 variable y0 equal ${yi} variable y0 equal 3.64031273884904 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.48251538673306 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.6992679910196 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2648 -2.9871562 -2.7088546 -2.7056937 2649 -2.9871562 -2.7088546 -2.7124775 Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms 2496.6% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.71247748777283 variable naccept equal ${increment} variable naccept equal 457 next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.48251538673306 variable y0 equal ${yi} variable y0 equal 3.6992679910196 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.44444048801327 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.75813489718568 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2649 -2.9871562 -2.7124775 -2.7124775 2650 -2.9871562 -2.7124775 -2.7156776 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.71567758564723 variable naccept equal ${increment} variable naccept equal 458 next iter jump SELF loop variable i equal ${irandom} variable i equal 33 variable x0 equal ${xi} variable x0 equal 6.35099447487909 variable y0 equal ${yi} variable y0 equal 1.92307773015564 set atom $i x ${xnew} set atom 33 x ${xnew} set atom 33 x 6.32390024184305 1 settings made for x set atom $i y ${ynew} set atom 33 y ${ynew} set atom 33 y 1.92492269656723 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2650 -2.9871562 -2.7156776 -2.7156776 2651 -2.9871562 -2.7156776 -2.7077537 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 33 x ${x0} set atom 33 x 6.35099447487909 1 settings made for x set atom $i y ${y0} set atom 33 y ${y0} set atom 33 y 1.92307773015564 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.32252682526322 variable y0 equal ${yi} variable y0 equal 7.38917808857226 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.30362197239609 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.32080015268588 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2651 -2.9871562 -2.7156776 -2.7077537 2652 -2.9871562 -2.7156776 -2.6952391 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.32252682526322 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.38917808857226 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.54984512486879 variable y0 equal ${yi} variable y0 equal 3.69442252679001 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.57125539937441 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.75455953641068 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2652 -2.9871562 -2.7156776 -2.6952391 2653 -2.9871562 -2.7156776 -2.711206 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.54984512486879 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.69442252679001 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 84 variable x0 equal ${xi} variable x0 equal 1.63794375538607 variable y0 equal ${yi} variable y0 equal 8.371298693791 set atom $i x ${xnew} set atom 84 x ${xnew} set atom 84 x 1.56893776535769 1 settings made for x set atom $i y ${ynew} set atom 84 y ${ynew} set atom 84 y 8.42966240562495 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2653 -2.9871562 -2.7156776 -2.711206 2654 -2.9871562 -2.7156776 -2.7074293 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 84 x ${x0} set atom 84 x 1.63794375538607 1 settings made for x set atom $i y ${y0} set atom 84 y ${y0} set atom 84 y 8.371298693791 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.13902074734077 variable y0 equal ${yi} variable y0 equal 9.29444277990191 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 2.22536597887382 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y 9.23958830345004 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2654 -2.9871562 -2.7156776 -2.7074293 2655 -2.9871562 -2.7156776 -2.6951242 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 2.13902074734077 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 9.29444277990191 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.78193971434718 variable y0 equal ${yi} variable y0 equal 8.31736352361736 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.80285523453837 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.35734108604488 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2655 -2.9871562 -2.7156776 -2.6951242 2656 -2.9871562 -2.7156776 -2.7170925 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.71709249824702 variable naccept equal ${increment} variable naccept equal 459 next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.542552276054287 variable y0 equal ${yi} variable y0 equal 2.78936891528467 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.64038989106741 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.74501775475839 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2656 -2.9871562 -2.7170925 -2.7170925 2657 -2.9871562 -2.7170925 -2.6836923 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.542552276054287 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.78936891528467 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.44444048801327 variable y0 equal ${yi} variable y0 equal 3.75813489718568 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.39868607917691 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.67517432732713 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2657 -2.9871562 -2.7170925 -2.6836923 2658 -2.9871562 -2.7170925 -2.7197189 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.71971890735215 variable naccept equal ${increment} variable naccept equal 460 next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.05432130693294 variable y0 equal ${yi} variable y0 equal 8.31604041971262 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.0514173328767 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.32951669611032 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2658 -2.9871562 -2.7197189 -2.7197189 2659 -2.9871562 -2.7197189 -2.7214696 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.7214696367236 variable naccept equal ${increment} variable naccept equal 461 next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.26957070906373 variable y0 equal ${yi} variable y0 equal 1.93462480685777 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.25175436814042 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.86330255649156 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2659 -2.9871562 -2.7214696 -2.7214696 2660 -2.9871562 -2.7214696 -2.7095906 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.26957070906373 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.93462480685777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.16288858372719 variable y0 equal ${yi} variable y0 equal 4.74496568793221 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.21441050488503 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.73022846335335 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2660 -2.9871562 -2.7214696 -2.7095906 2661 -2.9871562 -2.7214696 -2.7161403 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 58 x ${x0} set atom 58 x 9.16288858372719 1 settings made for x set atom $i y ${y0} set atom 58 y ${y0} set atom 58 y 4.74496568793221 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.87285548408023 variable y0 equal ${yi} variable y0 equal 8.36937119878825 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.88735650737277 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.41617354072627 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2661 -2.9871562 -2.7214696 -2.7161403 2662 -2.9871562 -2.7214696 -2.7178841 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.87285548408023 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.36937119878825 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.5878455599004 variable y0 equal ${yi} variable y0 equal 9.28117802846759 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.6275681813413 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 9.19288629997104 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2662 -2.9871562 -2.7214696 -2.7178841 2663 -2.9871562 -2.7214696 -2.7136191 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 1 x ${x0} set atom 1 x 10.5878455599004 1 settings made for x set atom $i y ${y0} set atom 1 y ${y0} set atom 1 y 9.28117802846759 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.16288858372719 variable y0 equal ${yi} variable y0 equal 4.74496568793221 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.13853420931847 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.77247737997933 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2663 -2.9871562 -2.7214696 -2.7136191 2664 -2.9871562 -2.7214696 -2.7137026 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 58 x ${x0} set atom 58 x 9.16288858372719 1 settings made for x set atom $i y ${y0} set atom 58 y ${y0} set atom 58 y 4.74496568793221 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.11356125195676 variable y0 equal ${yi} variable y0 equal 3.71681254668367 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 1.07957508881742 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.64464852376115 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2664 -2.9871562 -2.7214696 -2.7137026 2665 -2.9871562 -2.7214696 -2.7113032 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 43 x ${x0} set atom 43 x 1.11356125195676 1 settings made for x set atom $i y ${y0} set atom 43 y ${y0} set atom 43 y 3.71681254668367 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 79 variable x0 equal ${xi} variable x0 equal 9.66362923859236 variable y0 equal ${yi} variable y0 equal 5.65359488671022 set atom $i x ${xnew} set atom 79 x ${xnew} set atom 79 x 9.59424621342299 1 settings made for x set atom $i y ${ynew} set atom 79 y ${ynew} set atom 79 y 5.65730353539186 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2665 -2.9871562 -2.7214696 -2.7113032 2666 -2.9871562 -2.7214696 -2.707505 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 79 x ${x0} set atom 79 x 9.66362923859236 1 settings made for x set atom $i y ${y0} set atom 79 y ${y0} set atom 79 y 5.65359488671022 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.18122052589761 variable y0 equal ${yi} variable y0 equal 7.43532284822726 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.19763512054788 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.51957247581744 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2666 -2.9871562 -2.7214696 -2.707505 2667 -2.9871562 -2.7214696 -2.7054381 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.18122052589761 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.43532284822726 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.32252682526322 variable y0 equal ${yi} variable y0 equal 7.38917808857226 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.41373123009415 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.28942189541125 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2667 -2.9871562 -2.7214696 -2.7054381 2668 -2.9871562 -2.7214696 -2.6675992 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.32252682526322 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.38917808857226 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.16921079794274 variable y0 equal ${yi} variable y0 equal 1.86157575032777 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.07963643709527 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.77708725116319 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2668 -2.9871562 -2.7214696 -2.6675992 2669 -2.9871562 -2.7214696 -2.694758 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.16921079794274 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.86157575032777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.68984863638659 variable y0 equal ${yi} variable y0 equal 6.46641751066677 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.76970442414065 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.56419703499309 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2669 -2.9871562 -2.7214696 -2.694758 2670 -2.9871562 -2.7214696 -2.6952803 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.68984863638659 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.46641751066677 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.40156468867379 variable y0 equal ${yi} variable y0 equal 0.00304889678955437 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.34233012913781 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y -0.051255035400387 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2670 -2.9871562 -2.7214696 -2.6952803 2671 -2.9871562 -2.7214696 -2.7102249 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.40156468867379 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 0.00304889678955437 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.98599239308387 variable y0 equal ${yi} variable y0 equal 0.925951715219346 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 8.93419921118766 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 0.93942206691536 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2671 -2.9871562 -2.7214696 -2.7102249 2672 -2.9871562 -2.7214696 -2.7041786 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 8.98599239308387 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.925951715219346 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 33 variable x0 equal ${xi} variable x0 equal 6.35099447487909 variable y0 equal ${yi} variable y0 equal 1.92307773015564 set atom $i x ${xnew} set atom 33 x ${xnew} set atom 33 x 6.30808935879785 1 settings made for x set atom $i y ${ynew} set atom 33 y ${ynew} set atom 33 y 1.93454616448944 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2672 -2.9871562 -2.7214696 -2.7041786 2673 -2.9871562 -2.7214696 -2.7025284 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 33 x ${x0} set atom 33 x 6.35099447487909 1 settings made for x set atom $i y ${y0} set atom 33 y ${y0} set atom 33 y 1.92307773015564 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.81670362273342 variable y0 equal ${yi} variable y0 equal 2.85977786752084 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.83093271771557 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.89053015681604 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2673 -2.9871562 -2.7214696 -2.7025284 2674 -2.9871562 -2.7214696 -2.7157795 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.81670362273342 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.85977786752084 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 13 variable x0 equal ${xi} variable x0 equal 6.40156468867379 variable y0 equal ${yi} variable y0 equal 0.00304889678955437 set atom $i x ${xnew} set atom 13 x ${xnew} set atom 13 x 6.36817613362389 1 settings made for x set atom $i y ${ynew} set atom 13 y ${ynew} set atom 13 y 0.0744795322418249 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2674 -2.9871562 -2.7214696 -2.7157795 2675 -2.9871562 -2.7214696 -2.7041161 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 13 x ${x0} set atom 13 x 6.40156468867379 1 settings made for x set atom $i y ${y0} set atom 13 y ${y0} set atom 13 y 0.00304889678955437 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.47742998122294 variable y0 equal ${yi} variable y0 equal 3.76617543263566 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.57371679066737 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.76772266192567 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2675 -2.9871562 -2.7214696 -2.7041161 2676 -2.9871562 -2.7214696 -2.6839855 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 53 x ${x0} set atom 53 x 6.47742998122294 1 settings made for x set atom $i y ${y0} set atom 53 y ${y0} set atom 53 y 3.76617543263566 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.6009168970563 variable y0 equal ${yi} variable y0 equal 0.937610264528124 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.59732948422213 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 1.01469989608559 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2676 -2.9871562 -2.7214696 -2.6839855 2677 -2.9871562 -2.7214696 -2.7058685 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.6009168970563 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.937610264528124 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.11976422666408 variable y0 equal ${yi} variable y0 equal 6.57524594799509 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 8.0438908040414 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.5764069153451 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2677 -2.9871562 -2.7214696 -2.7058685 2678 -2.9871562 -2.7214696 -2.7163054 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 76 x ${x0} set atom 76 x 8.11976422666408 1 settings made for x set atom $i y ${y0} set atom 76 y ${y0} set atom 76 y 6.57524594799509 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.188491762068 variable y0 equal ${yi} variable y0 equal 2.73674997063974 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.288448477175 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.64021456214288 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2678 -2.9871562 -2.7214696 -2.7163054 2679 -2.9871562 -2.7214696 -2.6456524 Loop time of 3.98159e-05 on 1 procs for 1 steps with 100 atoms 2511.6% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.188491762068 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.73674997063974 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.52396155435811 variable y0 equal ${yi} variable y0 equal 3.76348131461275 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.53527552921544 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.71127284331453 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2679 -2.9871562 -2.7214696 -2.6456524 2680 -2.9871562 -2.7214696 -2.7220096 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.72200962217294 variable naccept equal ${increment} variable naccept equal 462 next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.94641846377841 variable y0 equal ${yi} variable y0 equal 4.67712874764368 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 5.9323459144353 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.75706758850977 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2680 -2.9871562 -2.7220096 -2.7220096 2681 -2.9871562 -2.7220096 -2.6726973 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 5.94641846377841 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.67712874764368 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.1851203922291 variable y0 equal ${yi} variable y0 equal 0.955667336690753 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.1717276934643 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.945514078843921 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2681 -2.9871562 -2.7220096 -2.6726973 2682 -2.9871562 -2.7220096 -2.722519 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.72251902619269 variable naccept equal ${increment} variable naccept equal 463 next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.82160441517171 variable y0 equal ${yi} variable y0 equal 8.38617150701579 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.76486742138204 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.30197147049006 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2682 -2.9871562 -2.722519 -2.722519 2683 -2.9871562 -2.722519 -2.7039505 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.82160441517171 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.38617150701579 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 35 variable x0 equal ${xi} variable x0 equal 7.41105691034568 variable y0 equal ${yi} variable y0 equal 1.86285059831208 set atom $i x ${xnew} set atom 35 x ${xnew} set atom 35 x 7.47378132183326 1 settings made for x set atom $i y ${ynew} set atom 35 y ${ynew} set atom 35 y 1.91284848830765 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2683 -2.9871562 -2.722519 -2.7039505 2684 -2.9871562 -2.722519 -2.7091312 Loop time of 3.98159e-05 on 1 procs for 1 steps with 100 atoms 2511.6% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 35 x ${x0} set atom 35 x 7.41105691034568 1 settings made for x set atom $i y ${y0} set atom 35 y ${y0} set atom 35 y 1.86285059831208 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 99 variable x0 equal ${xi} variable x0 equal 9.7112571763861 variable y0 equal ${yi} variable y0 equal 7.38156818475986 set atom $i x ${xnew} set atom 99 x ${xnew} set atom 99 x 9.740433256613 1 settings made for x set atom $i y ${ynew} set atom 99 y ${ynew} set atom 99 y 7.30608580436969 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2684 -2.9871562 -2.722519 -2.7091312 2685 -2.9871562 -2.722519 -2.7070746 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 99 x ${x0} set atom 99 x 9.7112571763861 1 settings made for x set atom $i y ${y0} set atom 99 y ${y0} set atom 99 y 7.38156818475986 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.75945490796997 variable y0 equal ${yi} variable y0 equal 6.47566335932247 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.73466015060379 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.38922335640423 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2685 -2.9871562 -2.722519 -2.7070746 2686 -2.9871562 -2.722519 -2.6887709 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 66 x ${x0} set atom 66 x 2.75945490796997 1 settings made for x set atom $i y ${y0} set atom 66 y ${y0} set atom 66 y 6.47566335932247 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.75945490796997 variable y0 equal ${yi} variable y0 equal 6.47566335932247 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.83711492021515 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.56790925995342 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2686 -2.9871562 -2.722519 -2.6887709 2687 -2.9871562 -2.722519 -2.6961936 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 66 x ${x0} set atom 66 x 2.75945490796997 1 settings made for x set atom $i y ${y0} set atom 66 y ${y0} set atom 66 y 6.47566335932247 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 73 variable x0 equal ${xi} variable x0 equal 6.49270002364235 variable y0 equal ${yi} variable y0 equal 5.51694749539096 set atom $i x ${xnew} set atom 73 x ${xnew} set atom 73 x 6.49794888018685 1 settings made for x set atom $i y ${ynew} set atom 73 y ${ynew} set atom 73 y 5.57422027533252 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2687 -2.9871562 -2.722519 -2.6961936 2688 -2.9871562 -2.722519 -2.7294276 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.72942759381766 variable naccept equal ${increment} variable naccept equal 464 next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.11356125195676 variable y0 equal ${yi} variable y0 equal 3.71681254668367 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 1.14863796551877 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.75852446122301 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2688 -2.9871562 -2.7294276 -2.7294276 2689 -2.9871562 -2.7294276 -2.7223753 Loop time of 3.98159e-05 on 1 procs for 1 steps with 100 atoms 2511.6% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 43 x ${x0} set atom 43 x 1.11356125195676 1 settings made for x set atom $i y ${y0} set atom 43 y ${y0} set atom 43 y 3.71681254668367 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.542552276054287 variable y0 equal ${yi} variable y0 equal 2.78936891528467 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.464358873763943 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.84546110602716 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2689 -2.9871562 -2.7294276 -2.7223753 2690 -2.9871562 -2.7294276 -2.7034617 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.542552276054287 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.78936891528467 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.188491762068 variable y0 equal ${yi} variable y0 equal 2.73674997063974 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.1299801353476 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.75316406461099 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2690 -2.9871562 -2.7294276 -2.7034617 2691 -2.9871562 -2.7294276 -2.7284565 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.72845649066357 variable naccept equal ${increment} variable naccept equal 465 next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.68984863638659 variable y0 equal ${yi} variable y0 equal 6.46641751066677 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.72472916722079 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.4376760794305 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2691 -2.9871562 -2.7284565 -2.7284565 2692 -2.9871562 -2.7284565 -2.722133 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.68984863638659 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.46641751066677 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.12605889161282 variable y0 equal ${yi} variable y0 equal 7.46482060280108 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.07568526585751 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.49030645218157 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2692 -2.9871562 -2.7284565 -2.722133 2693 -2.9871562 -2.7284565 -2.726817 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.12605889161282 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.46482060280108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.23979663292276 variable y0 equal ${yi} variable y0 equal 5.5713402385016 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.25321313778268 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.64288129751878 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2693 -2.9871562 -2.7284565 -2.726817 2694 -2.9871562 -2.7284565 -2.7091348 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2436.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.23979663292276 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.5713402385016 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.87285548408023 variable y0 equal ${yi} variable y0 equal 8.36937119878825 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.93159664828769 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.38791520513591 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2694 -2.9871562 -2.7284565 -2.7091348 2695 -2.9871562 -2.7284565 -2.7264851 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.87285548408023 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.36937119878825 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.98549635687515 variable y0 equal ${yi} variable y0 equal 2.82734158011773 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 7.01392143049881 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.84441063376763 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2695 -2.9871562 -2.7284565 -2.7264851 2696 -2.9871562 -2.7284565 -2.721737 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.98549635687515 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.82734158011773 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.58521930454847 variable y0 equal ${yi} variable y0 equal 1.81828533790177 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.5387643384802 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.8785629310376 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2696 -2.9871562 -2.7284565 -2.721737 2697 -2.9871562 -2.7284565 -2.7114301 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 39 x ${x0} set atom 39 x 9.58521930454847 1 settings made for x set atom $i y ${y0} set atom 39 y ${y0} set atom 39 y 1.81828533790177 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.16921079794274 variable y0 equal ${yi} variable y0 equal 1.86157575032777 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.1386444155346 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.79810808084077 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2697 -2.9871562 -2.7284565 -2.7114301 2698 -2.9871562 -2.7284565 -2.7214259 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.16921079794274 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.86157575032777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 73 variable x0 equal ${xi} variable x0 equal 6.49794888018685 variable y0 equal ${yi} variable y0 equal 5.57422027533252 set atom $i x ${xnew} set atom 73 x ${xnew} set atom 73 x 6.45296607731896 1 settings made for x set atom $i y ${ynew} set atom 73 y ${ynew} set atom 73 y 5.47534122412402 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2698 -2.9871562 -2.7284565 -2.7214259 2699 -2.9871562 -2.7284565 -2.6965643 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 73 x ${x0} set atom 73 x 6.49794888018685 1 settings made for x set atom $i y ${y0} set atom 73 y ${y0} set atom 73 y 5.57422027533252 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.39868607917691 variable y0 equal ${yi} variable y0 equal 3.67517432732713 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.42402232089902 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.68856803937089 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2699 -2.9871562 -2.7284565 -2.6965643 2700 -2.9871562 -2.7284565 -2.731106 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.73110597485438 variable naccept equal ${increment} variable naccept equal 466 next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.50331240732442 variable y0 equal ${yi} variable y0 equal 7.44483136263156 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.51303257782231 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.52597594585681 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2700 -2.9871562 -2.731106 -2.731106 2701 -2.9871562 -2.731106 -2.7058763 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 95 x ${x0} set atom 95 x 7.50331240732442 1 settings made for x set atom $i y ${y0} set atom 95 y ${y0} set atom 95 y 7.44483136263156 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 15 variable x0 equal ${xi} variable x0 equal 7.5055693610407 variable y0 equal ${yi} variable y0 equal 0.0092600703239441 set atom $i x ${xnew} set atom 15 x ${xnew} set atom 15 x 7.40937424738179 1 settings made for x set atom $i y ${ynew} set atom 15 y ${ynew} set atom 15 y -0.00800001621246337 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2701 -2.9871562 -2.731106 -2.7058763 2702 -2.9871562 -2.731106 -2.7214321 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 15 x ${x0} set atom 15 x 7.5055693610407 1 settings made for x set atom $i y ${y0} set atom 15 y ${y0} set atom 15 y 0.0092600703239441 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 72 variable x0 equal ${xi} variable x0 equal 5.96551856954089 variable y0 equal ${yi} variable y0 equal 6.44962929026118 set atom $i x ${xnew} set atom 72 x ${xnew} set atom 72 x 6.00215858180514 1 settings made for x set atom $i y ${ynew} set atom 72 y ${ynew} set atom 72 y 6.47153796688548 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2702 -2.9871562 -2.731106 -2.7214321 2703 -2.9871562 -2.731106 -2.7294075 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 72 x ${x0} set atom 72 x 5.96551856954089 1 settings made for x set atom $i y ${y0} set atom 72 y ${y0} set atom 72 y 6.44962929026118 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 6 variable x0 equal ${xi} variable x0 equal 2.69106418092681 variable y0 equal ${yi} variable y0 equal 0.920749815214004 set atom $i x ${xnew} set atom 6 x ${xnew} set atom 6 x 2.66547602613402 1 settings made for x set atom $i y ${ynew} set atom 6 y ${ynew} set atom 6 y 0.998434432256545 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2703 -2.9871562 -2.731106 -2.7294075 2704 -2.9871562 -2.731106 -2.7253365 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 6 x ${x0} set atom 6 x 2.69106418092681 1 settings made for x set atom $i y ${y0} set atom 6 y ${y0} set atom 6 y 0.920749815214004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.92034897763721 variable y0 equal ${yi} variable y0 equal 2.80042437287667 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.87786971290103 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.74551259251931 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2704 -2.9871562 -2.731106 -2.7253365 2705 -2.9871562 -2.731106 -2.7163387 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 32 x ${x0} set atom 32 x 5.92034897763721 1 settings made for x set atom $i y ${y0} set atom 32 y ${y0} set atom 32 y 2.80042437287667 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.8275111011613 variable y0 equal ${yi} variable y0 equal 6.48541394011011 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.84298044959193 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.49260471598139 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2705 -2.9871562 -2.731106 -2.7163387 2706 -2.9871562 -2.731106 -2.7294478 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 68 x ${x0} set atom 68 x 3.8275111011613 1 settings made for x set atom $i y ${y0} set atom 68 y ${y0} set atom 68 y 6.48541394011011 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 81 variable x0 equal ${xi} variable x0 equal 0.0322040319442937 variable y0 equal ${yi} variable y0 equal 7.38692112293505 set atom $i x ${xnew} set atom 81 x ${xnew} set atom 81 x 0.0764795422554204 1 settings made for x set atom $i y ${ynew} set atom 81 y ${ynew} set atom 81 y 7.37272928085589 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2706 -2.9871562 -2.731106 -2.7294478 2707 -2.9871562 -2.731106 -2.7290627 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 81 x ${x0} set atom 81 x 0.0322040319442937 1 settings made for x set atom $i y ${y0} set atom 81 y ${y0} set atom 81 y 7.38692112293505 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.12605889161282 variable y0 equal ${yi} variable y0 equal 7.46482060280108 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.16764707883053 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.41679591264987 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2707 -2.9871562 -2.731106 -2.7290627 2708 -2.9871562 -2.731106 -2.7256972 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.12605889161282 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.46482060280108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.4093781359932 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.56035293286044 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2708 -2.9871562 -2.731106 -2.7256972 2709 -2.9871562 -2.731106 -2.7239929 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.19388546387063 variable y0 equal ${yi} variable y0 equal 3.77270575328004 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.23357237020837 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.79704995913636 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2709 -2.9871562 -2.731106 -2.7239929 2710 -2.9871562 -2.731106 -2.7220537 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.19388546387063 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.77270575328004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 12 variable x0 equal ${xi} variable x0 equal 5.84254707057468 variable y0 equal ${yi} variable y0 equal 0.912364717233509 set atom $i x ${xnew} set atom 12 x ${xnew} set atom 12 x 5.92326618392459 1 settings made for x set atom $i y ${ynew} set atom 12 y ${ynew} set atom 12 y 0.857952364194721 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2710 -2.9871562 -2.731106 -2.7220537 2711 -2.9871562 -2.731106 -2.6992529 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 12 x ${x0} set atom 12 x 5.84254707057468 1 settings made for x set atom $i y ${y0} set atom 12 y ${y0} set atom 12 y 0.912364717233509 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.59829139590045 variable y0 equal ${yi} variable y0 equal 2.77385951253275 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.55340592741748 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.80287414761881 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2711 -2.9871562 -2.731106 -2.6992529 2712 -2.9871562 -2.731106 -2.7230038 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 24 x ${x0} set atom 24 x 1.59829139590045 1 settings made for x set atom $i y ${y0} set atom 24 y ${y0} set atom 24 y 2.77385951253275 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 21 variable x0 equal ${xi} variable x0 equal 10.7447922309093 variable y0 equal ${yi} variable y0 equal 1.85953156135149 set atom $i x ${xnew} set atom 21 x ${xnew} set atom 21 x 10.7785144766025 1 settings made for x set atom $i y ${ynew} set atom 21 y ${ynew} set atom 21 y 1.91773183724947 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2712 -2.9871562 -2.731106 -2.7230038 2713 -2.9871562 -2.731106 -2.720688 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 21 x ${x0} set atom 21 x 10.7447922309093 1 settings made for x set atom $i y ${y0} set atom 21 y ${y0} set atom 21 y 1.85953156135149 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.29028950968 variable y0 equal ${yi} variable y0 equal 6.46599212423793 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.2404472235701 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.389216346898 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2713 -2.9871562 -2.731106 -2.720688 2714 -2.9871562 -2.731106 -2.6913327 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.29028950968 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.46599212423793 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.31721924622269 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.62326985542972 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2714 -2.9871562 -2.731106 -2.6913327 2715 -2.9871562 -2.731106 -2.7133827 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.525174053111937 variable y0 equal ${yi} variable y0 equal 0.894475575197066 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.612135000625517 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.805140944230879 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2715 -2.9871562 -2.731106 -2.7133827 2716 -2.9871562 -2.731106 -2.682904 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.525174053111937 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.894475575197066 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.28515384276124 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.4428104872008 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2716 -2.9871562 -2.731106 -2.682904 2717 -2.9871562 -2.731106 -2.6825629 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 10.718617399519 variable y0 equal ${yi} variable y0 equal 5.51889411156373 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 10.6222172935657 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.56380438749986 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2717 -2.9871562 -2.731106 -2.6825629 2718 -2.9871562 -2.731106 -2.6890035 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 61 x ${x0} set atom 61 x 10.718617399519 1 settings made for x set atom $i y ${y0} set atom 61 y ${y0} set atom 61 y 5.51889411156373 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.8275111011613 variable y0 equal ${yi} variable y0 equal 6.48541394011011 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.73718843976146 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.50781034962168 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2718 -2.9871562 -2.731106 -2.6890035 2719 -2.9871562 -2.731106 -2.7139746 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 68 x ${x0} set atom 68 x 3.8275111011613 1 settings made for x set atom $i y ${y0} set atom 68 y ${y0} set atom 68 y 6.48541394011011 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 10.718617399519 variable y0 equal ${yi} variable y0 equal 5.51889411156373 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 10.7244650800877 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.51692237799363 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2719 -2.9871562 -2.731106 -2.7139746 2720 -2.9871562 -2.731106 -2.7316597 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.73165971135672 variable naccept equal ${increment} variable naccept equal 467 next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.80285523453837 variable y0 equal ${yi} variable y0 equal 8.35734108604488 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.86322336712962 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.34620171703395 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2720 -2.9871562 -2.7316597 -2.7316597 2721 -2.9871562 -2.7316597 -2.7113999 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.80285523453837 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.35734108604488 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.57771970509168 variable y0 equal ${yi} variable y0 equal 0.0528771042823788 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.55914769648191 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y -0.0269455552101139 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2721 -2.9871562 -2.7316597 -2.7113999 2722 -2.9871562 -2.7316597 -2.727167 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.57771970509168 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.0528771042823788 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.56843688645784 variable y0 equal ${yi} variable y0 equal 5.60343744700151 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.60149228730623 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.64612317030626 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2722 -2.9871562 -2.7316597 -2.727167 2723 -2.9871562 -2.7316597 -2.7316113 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.73161129658651 variable naccept equal ${increment} variable naccept equal 468 next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.75945490796997 variable y0 equal ${yi} variable y0 equal 6.47566335932247 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.71603453357651 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.51483389870159 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2723 -2.9871562 -2.7316113 -2.7316113 2724 -2.9871562 -2.7316113 -2.730391 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 66 x ${x0} set atom 66 x 2.75945490796997 1 settings made for x set atom $i y ${y0} set atom 66 y ${y0} set atom 66 y 6.47566335932247 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.11976422666408 variable y0 equal ${yi} variable y0 equal 6.57524594799509 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 8.0613916098962 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.54508387581339 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2724 -2.9871562 -2.7316113 -2.730391 2725 -2.9871562 -2.7316113 -2.7321349 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.73213485394995 variable naccept equal ${increment} variable naccept equal 469 next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.525174053111937 variable y0 equal ${yi} variable y0 equal 0.894475575197066 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.592343135276701 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.982763834703292 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2725 -2.9871562 -2.7321349 -2.7321349 2726 -2.9871562 -2.7321349 -2.7130247 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.525174053111937 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.894475575197066 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 38 variable x0 equal ${xi} variable x0 equal 9.09958864171057 variable y0 equal ${yi} variable y0 equal 2.75573046180108 set atom $i x ${xnew} set atom 38 x ${xnew} set atom 38 x 9.10391168314963 1 settings made for x set atom $i y ${ynew} set atom 38 y ${ynew} set atom 38 y 2.74828683110574 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2726 -2.9871562 -2.7321349 -2.7130247 2727 -2.9871562 -2.7321349 -2.7314609 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 38 x ${x0} set atom 38 x 9.09958864171057 1 settings made for x set atom $i y ${y0} set atom 38 y ${y0} set atom 38 y 2.75573046180108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 84 variable x0 equal ${xi} variable x0 equal 1.63794375538607 variable y0 equal ${yi} variable y0 equal 8.371298693791 set atom $i x ${xnew} set atom 84 x ${xnew} set atom 84 x 1.66893596529742 1 settings made for x set atom $i y ${ynew} set atom 84 y ${ynew} set atom 84 y 8.28350702442225 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2727 -2.9871562 -2.7321349 -2.7314609 2728 -2.9871562 -2.7321349 -2.7085349 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 84 x ${x0} set atom 84 x 1.63794375538607 1 settings made for x set atom $i y ${y0} set atom 84 y ${y0} set atom 84 y 8.371298693791 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 87 variable x0 equal ${xi} variable x0 equal 3.26613374709645 variable y0 equal ${yi} variable y0 equal 7.43164389457965 set atom $i x ${xnew} set atom 87 x ${xnew} set atom 87 x 3.34225657939473 1 settings made for x set atom $i y ${ynew} set atom 87 y ${ynew} set atom 87 y 7.35520155754352 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2728 -2.9871562 -2.7321349 -2.7085349 2729 -2.9871562 -2.7321349 -2.706921 Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 87 x ${x0} set atom 87 x 3.26613374709645 1 settings made for x set atom $i y ${y0} set atom 87 y ${y0} set atom 87 y 7.43164389457965 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.89040735601722 variable y0 equal ${yi} variable y0 equal 6.45623155371179 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.90360141634284 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.36804841295709 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2729 -2.9871562 -2.7321349 -2.706921 2730 -2.9871562 -2.7321349 -2.7059429 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.89040735601722 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.45623155371179 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.95025718807079 variable y0 equal ${yi} variable y0 equal 0.949378951299518 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.97048038839199 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 0.910359640825122 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2730 -2.9871562 -2.7321349 -2.7059429 2731 -2.9871562 -2.7321349 -2.7288805 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.95025718807079 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.949378951299518 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.42402232089902 variable y0 equal ${yi} variable y0 equal 3.68856803937089 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.32488053241635 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.69662285609376 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2731 -2.9871562 -2.7321349 -2.7288805 2732 -2.9871562 -2.7321349 -2.7023229 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 51 x ${x0} set atom 51 x 5.42402232089902 1 settings made for x set atom $i y ${y0} set atom 51 y ${y0} set atom 51 y 3.68856803937089 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.98549635687515 variable y0 equal ${yi} variable y0 equal 2.82734158011773 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 7.03481884279892 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.76515156003335 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2732 -2.9871562 -2.7321349 -2.7023229 2733 -2.9871562 -2.7321349 -2.7110341 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.98549635687515 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.82734158011773 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.42402232089902 variable y0 equal ${yi} variable y0 equal 3.68856803937089 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.37485285201932 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.61131827397477 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2733 -2.9871562 -2.7321349 -2.7110341 2734 -2.9871562 -2.7321349 -2.7058739 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 51 x ${x0} set atom 51 x 5.42402232089902 1 settings made for x set atom $i y ${y0} set atom 51 y ${y0} set atom 51 y 3.68856803937089 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.542552276054287 variable y0 equal ${yi} variable y0 equal 2.78936891528467 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.577830381790066 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.73754199715952 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2734 -2.9871562 -2.7321349 -2.7058739 2735 -2.9871562 -2.7321349 -2.7223507 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.542552276054287 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.78936891528467 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 93 variable x0 equal ${xi} variable x0 equal 6.44710795401651 variable y0 equal ${yi} variable y0 equal 7.41837643709443 set atom $i x ${xnew} set atom 93 x ${xnew} set atom 93 x 6.47687185525018 1 settings made for x set atom $i y ${ynew} set atom 93 y ${ynew} set atom 93 y 7.43093628015778 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2735 -2.9871562 -2.7321349 -2.7223507 2736 -2.9871562 -2.7321349 -2.729343 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 93 x ${x0} set atom 93 x 6.44710795401651 1 settings made for x set atom $i y ${y0} set atom 93 y ${y0} set atom 93 y 7.41837643709443 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.80285523453837 variable y0 equal ${yi} variable y0 equal 8.35734108604488 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.87444459715968 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.41334544338283 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2736 -2.9871562 -2.7321349 -2.729343 2737 -2.9871562 -2.7321349 -2.6950404 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.80285523453837 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.35734108604488 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 22 variable x0 equal ${xi} variable x0 equal 0.542552276054287 variable y0 equal ${yi} variable y0 equal 2.78936891528467 set atom $i x ${xnew} set atom 22 x ${xnew} set atom 22 x 0.443231339851284 1 settings made for x set atom $i y ${ynew} set atom 22 y ${ynew} set atom 22 y 2.76042376729349 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2737 -2.9871562 -2.7321349 -2.6950404 2738 -2.9871562 -2.7321349 -2.7215503 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 22 x ${x0} set atom 22 x 0.542552276054287 1 settings made for x set atom $i y ${y0} set atom 22 y ${y0} set atom 22 y 2.78936891528467 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.6009168970563 variable y0 equal ${yi} variable y0 equal 0.937610264528124 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.63998800396701 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.856236310708849 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2738 -2.9871562 -2.7321349 -2.7215503 2739 -2.9871562 -2.7321349 -2.7228884 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.6009168970563 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.937610264528124 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.95025718807079 variable y0 equal ${yi} variable y0 equal 0.949378951299518 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.85574802755214 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 0.95840745757851 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2739 -2.9871562 -2.7321349 -2.7228884 2740 -2.9871562 -2.7321349 -2.7097472 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.95025718807079 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.949378951299518 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 45 variable x0 equal ${xi} variable x0 equal 2.19388546387063 variable y0 equal ${yi} variable y0 equal 3.77270575328004 set atom $i x ${xnew} set atom 45 x ${xnew} set atom 45 x 2.11327207723962 1 settings made for x set atom $i y ${ynew} set atom 45 y ${ynew} set atom 45 y 3.69046806855332 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2740 -2.9871562 -2.7321349 -2.7097472 2741 -2.9871562 -2.7321349 -2.7188533 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 45 x ${x0} set atom 45 x 2.19388546387063 1 settings made for x set atom $i y ${y0} set atom 45 y ${y0} set atom 45 y 3.77270575328004 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.75945490796997 variable y0 equal ${yi} variable y0 equal 6.47566335932247 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.81530283887817 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.45558708445064 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2741 -2.9871562 -2.7321349 -2.7188533 2742 -2.9871562 -2.7321349 -2.7214515 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 66 x ${x0} set atom 66 x 2.75945490796997 1 settings made for x set atom $i y ${y0} set atom 66 y ${y0} set atom 66 y 6.47566335932247 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.16288858372719 variable y0 equal ${yi} variable y0 equal 4.74496568793221 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.17122378069908 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.84288561695977 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2742 -2.9871562 -2.7321349 -2.7214515 2743 -2.9871562 -2.7321349 -2.6912761 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 58 x ${x0} set atom 58 x 9.16288858372719 1 settings made for x set atom $i y ${y0} set atom 58 y ${y0} set atom 58 y 4.74496568793221 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.7493215699954 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.6366345559971 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2743 -2.9871562 -2.7321349 -2.6912761 2744 -2.9871562 -2.7321349 -2.7303725 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 42 variable x0 equal ${xi} variable x0 equal 0.500509889522458 variable y0 equal ${yi} variable y0 equal 4.59161240214273 set atom $i x ${xnew} set atom 42 x ${xnew} set atom 42 x 0.459410722652341 1 settings made for x set atom $i y ${ynew} set atom 42 y ${ynew} set atom 42 y 4.52350529784128 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2744 -2.9871562 -2.7321349 -2.7303725 2745 -2.9871562 -2.7321349 -2.7152595 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 42 x ${x0} set atom 42 x 0.500509889522458 1 settings made for x set atom $i y ${y0} set atom 42 y ${y0} set atom 42 y 4.59161240214273 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 42 variable x0 equal ${xi} variable x0 equal 0.500509889522458 variable y0 equal ${yi} variable y0 equal 4.59161240214273 set atom $i x ${xnew} set atom 42 x ${xnew} set atom 42 x 0.45259110490408 1 settings made for x set atom $i y ${ynew} set atom 42 y ${ynew} set atom 42 y 4.52032299393579 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2745 -2.9871562 -2.7321349 -2.7152595 2746 -2.9871562 -2.7321349 -2.7121915 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 42 x ${x0} set atom 42 x 0.500509889522458 1 settings made for x set atom $i y ${y0} set atom 42 y ${y0} set atom 42 y 4.59161240214273 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.11356125195676 variable y0 equal ${yi} variable y0 equal 3.71681254668367 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 1.08615428527051 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.78796881003511 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2746 -2.9871562 -2.7321349 -2.7121915 2747 -2.9871562 -2.7321349 -2.720316 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 43 x ${x0} set atom 43 x 1.11356125195676 1 settings made for x set atom $i y ${y0} set atom 43 y ${y0} set atom 43 y 3.71681254668367 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.58521930454847 variable y0 equal ${yi} variable y0 equal 1.81828533790177 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.56105897902128 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.76586105010575 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2747 -2.9871562 -2.7321349 -2.720316 2748 -2.9871562 -2.7321349 -2.7237267 Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms 2438.5% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 39 x ${x0} set atom 39 x 9.58521930454847 1 settings made for x set atom $i y ${y0} set atom 39 y ${y0} set atom 39 y 1.81828533790177 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.81670362273342 variable y0 equal ${yi} variable y0 equal 2.85977786752084 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.88242468157894 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.77902625771859 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2748 -2.9871562 -2.7321349 -2.7237267 2749 -2.9871562 -2.7321349 -2.6799123 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.81670362273342 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.85977786752084 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.36143123308087 variable y0 equal ${yi} variable y0 equal 7.41034705963397 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.29436823526288 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.37409855451846 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2749 -2.9871562 -2.7321349 -2.6799123 2750 -2.9871562 -2.7321349 -2.7095958 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.36143123308087 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.41034705963397 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 3 variable x0 equal ${xi} variable x0 equal 1.02897904236965 variable y0 equal ${yi} variable y0 equal 9.27259716499179 set atom $i x ${xnew} set atom 3 x ${xnew} set atom 3 x 1.01596815903835 1 settings made for x set atom $i y ${ynew} set atom 3 y ${ynew} set atom 3 y 9.18600182044833 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2750 -2.9871562 -2.7321349 -2.7095958 2751 -2.9871562 -2.7321349 -2.7093307 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 3 x ${x0} set atom 3 x 1.02897904236965 1 settings made for x set atom $i y ${y0} set atom 3 y ${y0} set atom 3 y 9.27259716499179 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 41 variable x0 equal ${xi} variable x0 equal 10.7038741310291 variable y0 equal ${yi} variable y0 equal 3.65389419360293 set atom $i x ${xnew} set atom 41 x ${xnew} set atom 41 x 10.771525271719 1 settings made for x set atom $i y ${ynew} set atom 41 y ${ynew} set atom 41 y 3.55796886248721 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2751 -2.9871562 -2.7321349 -2.7093307 2752 -2.9871562 -2.7321349 -2.6864252 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 41 x ${x0} set atom 41 x 10.7038741310291 1 settings made for x set atom $i y ${y0} set atom 41 y ${y0} set atom 41 y 3.65389419360293 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.13902074734077 variable y0 equal ${yi} variable y0 equal 9.29444277990191 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 2.18613221088752 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y 9.25905466783373 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2752 -2.9871562 -2.7321349 -2.6864252 2753 -2.9871562 -2.7321349 -2.7251104 Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms 2496.6% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 2.13902074734077 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 9.29444277990191 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.50331240732442 variable y0 equal ${yi} variable y0 equal 7.44483136263156 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.48109969932805 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.51832063522601 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2753 -2.9871562 -2.7321349 -2.7251104 2754 -2.9871562 -2.7321349 -2.7101397 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 95 x ${x0} set atom 95 x 7.50331240732442 1 settings made for x set atom $i y ${y0} set atom 95 y ${y0} set atom 95 y 7.44483136263156 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 50 variable x0 equal ${xi} variable x0 equal 4.92057361244498 variable y0 equal ${yi} variable y0 equal 4.60940848940775 set atom $i x ${xnew} set atom 50 x ${xnew} set atom 50 x 4.95264606117545 1 settings made for x set atom $i y ${ynew} set atom 50 y ${ynew} set atom 50 y 4.63440165871546 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2754 -2.9871562 -2.7321349 -2.7101397 2755 -2.9871562 -2.7321349 -2.7255686 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 50 x ${x0} set atom 50 x 4.92057361244498 1 settings made for x set atom $i y ${y0} set atom 50 y ${y0} set atom 50 y 4.60940848940775 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.29802477120916 variable y0 equal ${yi} variable y0 equal 5.57190024798112 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.374034247394 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.63926829045015 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2755 -2.9871562 -2.7321349 -2.7255686 2756 -2.9871562 -2.7321349 -2.7051592 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 67 x ${x0} set atom 67 x 3.29802477120916 1 settings made for x set atom $i y ${y0} set atom 67 y ${y0} set atom 67 y 5.57190024798112 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 74 variable x0 equal ${xi} variable x0 equal 7.04742242375061 variable y0 equal ${yi} variable y0 equal 6.46128811375131 set atom $i x ${xnew} set atom 74 x ${xnew} set atom 74 x 7.07604214230225 1 settings made for x set atom $i y ${ynew} set atom 74 y ${ynew} set atom 74 y 6.55222554937829 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2756 -2.9871562 -2.7321349 -2.7051592 2757 -2.9871562 -2.7321349 -2.7231798 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 74 x ${x0} set atom 74 x 7.04742242375061 1 settings made for x set atom $i y ${y0} set atom 74 y ${y0} set atom 74 y 6.46128811375131 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.21282525459196 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y 0.0962274551391577 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2757 -2.9871562 -2.7321349 -2.7231798 2758 -2.9871562 -2.7321349 -2.6657771 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.00678724327727 variable y0 equal ${yi} variable y0 equal 4.66030267828866 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 6.99091418066664 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.74590075367852 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2758 -2.9871562 -2.7321349 -2.6657771 2759 -2.9871562 -2.7321349 -2.7040363 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.00678724327727 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.66030267828866 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.16288858372719 variable y0 equal ${yi} variable y0 equal 4.74496568793221 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.17698586899788 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.70937407368584 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2759 -2.9871562 -2.7321349 -2.7040363 2760 -2.9871562 -2.7321349 -2.734665 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.73466503851486 variable naccept equal ${increment} variable naccept equal 470 next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.94641846377841 variable y0 equal ${yi} variable y0 equal 4.67712874764368 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 5.97087367732516 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.72044085616037 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2760 -2.9871562 -2.734665 -2.734665 2761 -2.9871562 -2.734665 -2.7247555 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 5.94641846377841 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.67712874764368 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.16921079794274 variable y0 equal ${yi} variable y0 equal 1.86157575032777 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.10532751718865 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.95700883052415 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2761 -2.9871562 -2.734665 -2.7247555 2762 -2.9871562 -2.734665 -2.709741 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.16921079794274 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.86157575032777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.35047749677564 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y -0.0799123287200953 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2762 -2.9871562 -2.734665 -2.709741 2763 -2.9871562 -2.734665 -2.7209108 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.87285548408023 variable y0 equal ${yi} variable y0 equal 8.36937119878825 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.89995702464572 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.43862652696666 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2763 -2.9871562 -2.734665 -2.7209108 2764 -2.9871562 -2.734665 -2.7259148 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.87285548408023 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.36937119878825 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 98 variable x0 equal ${xi} variable x0 equal 9.09545654971154 variable y0 equal ${yi} variable y0 equal 8.37382508434351 set atom $i x ${xnew} set atom 98 x ${xnew} set atom 98 x 9.13518403489144 1 settings made for x set atom $i y ${ynew} set atom 98 y ${ynew} set atom 98 y 8.45328273691233 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2764 -2.9871562 -2.734665 -2.7259148 2765 -2.9871562 -2.734665 -2.7277226 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 98 x ${x0} set atom 98 x 9.09545654971154 1 settings made for x set atom $i y ${y0} set atom 98 y ${y0} set atom 98 y 8.37382508434351 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 23 variable x0 equal ${xi} variable x0 equal 1.07343188841992 variable y0 equal ${yi} variable y0 equal 1.85961672446793 set atom $i x ${xnew} set atom 23 x ${xnew} set atom 23 x 1.12478874047452 1 settings made for x set atom $i y ${ynew} set atom 23 y ${ynew} set atom 23 y 1.87055945775574 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2765 -2.9871562 -2.734665 -2.7277226 2766 -2.9871562 -2.734665 -2.7284708 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 23 x ${x0} set atom 23 x 1.07343188841992 1 settings made for x set atom $i y ${y0} set atom 23 y ${y0} set atom 23 y 1.85961672446793 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 37 variable x0 equal ${xi} variable x0 equal 8.51648090043489 variable y0 equal ${yi} variable y0 equal 1.84042694947785 set atom $i x ${xnew} set atom 37 x ${xnew} set atom 37 x 8.59072899976198 1 settings made for x set atom $i y ${ynew} set atom 37 y ${ynew} set atom 37 y 1.91424188993043 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2766 -2.9871562 -2.734665 -2.7284708 2767 -2.9871562 -2.734665 -2.7112079 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 37 x ${x0} set atom 37 x 8.51648090043489 1 settings made for x set atom $i y ${y0} set atom 37 y ${y0} set atom 37 y 1.84042694947785 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 81 variable x0 equal ${xi} variable x0 equal 0.0322040319442937 variable y0 equal ${yi} variable y0 equal 7.38692112293505 set atom $i x ${xnew} set atom 81 x ${xnew} set atom 81 x -0.0163023829459956 1 settings made for x set atom $i y ${ynew} set atom 81 y ${ynew} set atom 81 y 7.3930678876903 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2767 -2.9871562 -2.734665 -2.7112079 2768 -2.9871562 -2.734665 -2.7281615 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 81 x ${x0} set atom 81 x 0.0322040319442937 1 settings made for x set atom $i y ${y0} set atom 81 y ${y0} set atom 81 y 7.38692112293505 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.00678724327727 variable y0 equal ${yi} variable y0 equal 4.66030267828866 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 6.97108395376845 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.6145910894291 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2768 -2.9871562 -2.734665 -2.7281615 2769 -2.9871562 -2.734665 -2.7226607 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.00678724327727 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.66030267828866 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 10 variable x0 equal ${xi} variable x0 equal 4.77766234516441 variable y0 equal ${yi} variable y0 equal 0.927607925641864 set atom $i x ${xnew} set atom 10 x ${xnew} set atom 10 x 4.72051680921852 1 settings made for x set atom $i y ${ynew} set atom 10 y ${ynew} set atom 10 y 0.934614523160785 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2769 -2.9871562 -2.734665 -2.7226607 2770 -2.9871562 -2.734665 -2.7280453 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 10 x ${x0} set atom 10 x 4.77766234516441 1 settings made for x set atom $i y ${y0} set atom 10 y ${y0} set atom 10 y 0.927607925641864 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.57288145302412 variable y0 equal ${yi} variable y0 equal 3.68945432467593 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.48055874584791 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.76122532649173 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2770 -2.9871562 -2.734665 -2.7280453 2771 -2.9871562 -2.734665 -2.6881413 Loop time of 3.57628e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 59 x ${x0} set atom 59 x 9.57288145302412 1 settings made for x set atom $i y ${y0} set atom 59 y ${y0} set atom 59 y 3.68945432467593 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.80285523453837 variable y0 equal ${yi} variable y0 equal 8.35734108604488 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.78350791255122 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.3979895225912 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2771 -2.9871562 -2.734665 -2.6881413 2772 -2.9871562 -2.734665 -2.734709 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.73470898611002 variable naccept equal ${increment} variable naccept equal 471 next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.50331240732442 variable y0 equal ${yi} variable y0 equal 7.44483136263156 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.43254564840566 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.37556475725436 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2772 -2.9871562 -2.734709 -2.734709 2773 -2.9871562 -2.734709 -2.7132431 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 95 x ${x0} set atom 95 x 7.50331240732442 1 settings made for x set atom $i y ${y0} set atom 95 y ${y0} set atom 95 y 7.44483136263156 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 17 variable x0 equal ${xi} variable x0 equal 8.56200896659319 variable y0 equal ${yi} variable y0 equal 9.2929022978577 set atom $i x ${xnew} set atom 17 x ${xnew} set atom 17 x 8.60162935414736 1 settings made for x set atom $i y ${ynew} set atom 17 y ${ynew} set atom 17 y 9.37977176416248 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2773 -2.9871562 -2.734709 -2.7132431 2774 -2.9871562 -2.734709 -2.6913076 Loop time of 3.57628e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 17 x ${x0} set atom 17 x 8.56200896659319 1 settings made for x set atom $i y ${y0} set atom 17 y ${y0} set atom 17 y 9.2929022978577 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.8275111011613 variable y0 equal ${yi} variable y0 equal 6.48541394011011 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.84755992213374 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.55888664261331 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2774 -2.9871562 -2.734709 -2.6913076 2775 -2.9871562 -2.734709 -2.7125244 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 68 x ${x0} set atom 68 x 3.8275111011613 1 settings made for x set atom $i y ${y0} set atom 68 y ${y0} set atom 68 y 6.48541394011011 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.64033596713972 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.58126306885644 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2775 -2.9871562 -2.734709 -2.7125244 2776 -2.9871562 -2.734709 -2.6896157 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.525174053111937 variable y0 equal ${yi} variable y0 equal 0.894475575197066 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.445164008537199 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.840904362905348 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2776 -2.9871562 -2.734709 -2.6896157 2777 -2.9871562 -2.734709 -2.7271166 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.525174053111937 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.894475575197066 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.131702781107 variable y0 equal ${yi} variable y0 equal 8.31063791431484 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.1918648365994 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.31194528259334 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2777 -2.9871562 -2.734709 -2.7271166 2778 -2.9871562 -2.734709 -2.7352559 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.73525591168888 variable naccept equal ${increment} variable naccept equal 472 next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.68984863638659 variable y0 equal ${yi} variable y0 equal 6.46641751066677 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.63268258452197 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.49439754024975 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2778 -2.9871562 -2.7352559 -2.7352559 2779 -2.9871562 -2.7352559 -2.7256954 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.68984863638659 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.46641751066677 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.57771970509168 variable y0 equal ${yi} variable y0 equal 0.0528771042823788 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.67506087301847 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.0304924249649044 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2779 -2.9871562 -2.7352559 -2.7256954 2780 -2.9871562 -2.7352559 -2.6915 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.57771970509168 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.0528771042823788 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 82 variable x0 equal ${xi} variable x0 equal 0.480583484569456 variable y0 equal ${yi} variable y0 equal 8.38369611419733 set atom $i x ${xnew} set atom 82 x ${xnew} set atom 82 x 0.417970784107115 1 settings made for x set atom $i y ${ynew} set atom 82 y ${ynew} set atom 82 y 8.35561866678293 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2780 -2.9871562 -2.7352559 -2.6915 2781 -2.9871562 -2.7352559 -2.7190266 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 82 x ${x0} set atom 82 x 0.480583484569456 1 settings made for x set atom $i y ${y0} set atom 82 y ${y0} set atom 82 y 8.38369611419733 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.0514173328767 variable y0 equal ${yi} variable y0 equal 8.32951669611032 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 7.9758500873933 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.24532965339715 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2781 -2.9871562 -2.7352559 -2.7190266 2782 -2.9871562 -2.7352559 -2.6840774 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.0514173328767 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.32951669611032 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 38 variable x0 equal ${xi} variable x0 equal 9.09958864171057 variable y0 equal ${yi} variable y0 equal 2.75573046180108 set atom $i x ${xnew} set atom 38 x ${xnew} set atom 38 x 9.1820952983573 1 settings made for x set atom $i y ${ynew} set atom 38 y ${ynew} set atom 38 y 2.73509116145471 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2782 -2.9871562 -2.7352559 -2.6840774 2783 -2.9871562 -2.7352559 -2.7007479 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 38 x ${x0} set atom 38 x 9.09958864171057 1 settings made for x set atom $i y ${y0} set atom 38 y ${y0} set atom 38 y 2.75573046180108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.89040735601722 variable y0 equal ${yi} variable y0 equal 6.45623155371179 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.85513271927177 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.43979434505929 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2783 -2.9871562 -2.7352559 -2.7007479 2784 -2.9871562 -2.7352559 -2.7315745 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.89040735601722 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.45623155371179 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 43 variable x0 equal ${xi} variable x0 equal 1.11356125195676 variable y0 equal ${yi} variable y0 equal 3.71681254668367 set atom $i x ${xnew} set atom 43 x ${xnew} set atom 43 x 1.10899938662702 1 settings made for x set atom $i y ${ynew} set atom 43 y ${ynew} set atom 43 y 3.63085544867647 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2784 -2.9871562 -2.7352559 -2.7315745 2785 -2.9871562 -2.7352559 -2.7190767 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 43 x ${x0} set atom 43 x 1.11356125195676 1 settings made for x set atom $i y ${y0} set atom 43 y ${y0} set atom 43 y 3.71681254668367 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.22492432355444 variable y0 equal ${yi} variable y0 equal 0.0240613460540867 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.13557020186941 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y -0.0658627152442837 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2785 -2.9871562 -2.7352559 -2.7190767 2786 -2.9871562 -2.7352559 -2.7059464 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 7 x ${x0} set atom 7 x 3.22492432355444 1 settings made for x set atom $i y ${y0} set atom 7 y ${y0} set atom 7 y 0.0240613460540867 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.98599239308387 variable y0 equal ${yi} variable y0 equal 0.925951715219346 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 8.94732632357627 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 1.02147035192284 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2786 -2.9871562 -2.7352559 -2.7059464 2787 -2.9871562 -2.7352559 -2.6866 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 8.98599239308387 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.925951715219346 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 41 variable x0 equal ${xi} variable x0 equal 10.7038741310291 variable y0 equal ${yi} variable y0 equal 3.65389419360293 set atom $i x ${xnew} set atom 41 x ${xnew} set atom 41 x 10.7377961357288 1 settings made for x set atom $i y ${ynew} set atom 41 y ${ynew} set atom 41 y 3.60898553891314 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2787 -2.9871562 -2.7352559 -2.6866 2788 -2.9871562 -2.7352559 -2.7263513 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 41 x ${x0} set atom 41 x 10.7038741310291 1 settings made for x set atom $i y ${y0} set atom 41 y ${y0} set atom 41 y 3.65389419360293 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.81670362273342 variable y0 equal ${yi} variable y0 equal 2.85977786752084 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.84426377335674 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.92727882834771 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2788 -2.9871562 -2.7352559 -2.7263513 2789 -2.9871562 -2.7352559 -2.7137032 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.81670362273342 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.85977786752084 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 6.99553199091598 variable y0 equal ${yi} variable y0 equal 8.37164120592174 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 6.97079646864578 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.44335532106456 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2789 -2.9871562 -2.7352559 -2.7137032 2790 -2.9871562 -2.7352559 -2.7301471 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 6.99553199091598 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.37164120592174 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 93 variable x0 equal ${xi} variable x0 equal 6.44710795401651 variable y0 equal ${yi} variable y0 equal 7.41837643709443 set atom $i x ${xnew} set atom 93 x ${xnew} set atom 93 x 6.4341935706051 1 settings made for x set atom $i y ${ynew} set atom 93 y ${ynew} set atom 93 y 7.32606439914964 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2790 -2.9871562 -2.7352559 -2.7301471 2791 -2.9871562 -2.7352559 -2.7222898 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 93 x ${x0} set atom 93 x 6.44710795401651 1 settings made for x set atom $i y ${y0} set atom 93 y ${y0} set atom 93 y 7.41837643709443 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 42 variable x0 equal ${xi} variable x0 equal 0.500509889522458 variable y0 equal ${yi} variable y0 equal 4.59161240214273 set atom $i x ${xnew} set atom 42 x ${xnew} set atom 42 x 0.452163763442899 1 settings made for x set atom $i y ${ynew} set atom 42 y ${ynew} set atom 42 y 4.61642146462366 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2791 -2.9871562 -2.7352559 -2.7222898 2792 -2.9871562 -2.7352559 -2.7235199 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 42 x ${x0} set atom 42 x 0.500509889522458 1 settings made for x set atom $i y ${y0} set atom 42 y ${y0} set atom 42 y 4.59161240214273 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.1918648365994 variable y0 equal ${yi} variable y0 equal 8.31194528259334 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.0957713607808 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.40702996172008 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2792 -2.9871562 -2.7352559 -2.7235199 2793 -2.9871562 -2.7352559 -2.7248013 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 100 x ${x0} set atom 100 x 10.1918648365994 1 settings made for x set atom $i y ${y0} set atom 100 y ${y0} set atom 100 y 8.31194528259334 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.67711982884829 variable y0 equal ${yi} variable y0 equal 7.46412369337345 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.76452070632403 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.49433875408436 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2793 -2.9871562 -2.7352559 -2.7248013 2794 -2.9871562 -2.7352559 -2.6826574 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 97 x ${x0} set atom 97 x 8.67711982884829 1 settings made for x set atom $i y ${y0} set atom 97 y ${y0} set atom 97 y 7.46412369337345 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.12605889161282 variable y0 equal ${yi} variable y0 equal 7.46482060280108 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.2093950303381 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.51538009968066 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2794 -2.9871562 -2.7352559 -2.6826574 2795 -2.9871562 -2.7352559 -2.6971251 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.12605889161282 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.46482060280108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 63 variable x0 equal ${xi} variable x0 equal 1.09178573210888 variable y0 equal ${yi} variable y0 equal 5.57776011173921 set atom $i x ${xnew} set atom 63 x ${xnew} set atom 63 x 1.16035510619335 1 settings made for x set atom $i y ${ynew} set atom 63 y ${ynew} set atom 63 y 5.48757321779924 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2795 -2.9871562 -2.7352559 -2.6971251 2796 -2.9871562 -2.7352559 -2.6888584 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 63 x ${x0} set atom 63 x 1.09178573210888 1 settings made for x set atom $i y ${y0} set atom 63 y ${y0} set atom 63 y 5.57776011173921 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 6.99553199091598 variable y0 equal ${yi} variable y0 equal 8.37164120592174 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 7.02288831749603 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.46585688509044 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2796 -2.9871562 -2.7352559 -2.6888584 2797 -2.9871562 -2.7352559 -2.7160964 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 6.99553199091598 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.37164120592174 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.2036228899023 variable y0 equal ${yi} variable y0 equal 4.57710585946008 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.1955955747625 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.53326931351587 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2797 -2.9871562 -2.7352559 -2.7160964 2798 -2.9871562 -2.7352559 -2.7296192 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 60 x ${x0} set atom 60 x 10.2036228899023 1 settings made for x set atom $i y ${y0} set atom 60 y ${y0} set atom 60 y 4.57710585946008 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.18122052589761 variable y0 equal ${yi} variable y0 equal 7.43532284822726 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.21853154341089 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.44536910381579 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2798 -2.9871562 -2.7352559 -2.7296192 2799 -2.9871562 -2.7352559 -2.7338905 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.18122052589761 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.43532284822726 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.0514173328767 variable y0 equal ${yi} variable y0 equal 8.32951669611032 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.12170733808376 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.29614760793741 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2799 -2.9871562 -2.7352559 -2.7338905 2800 -2.9871562 -2.7352559 -2.7146945 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.0514173328767 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.32951669611032 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.4515117414734 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.62000966017444 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2800 -2.9871562 -2.7352559 -2.7146945 2801 -2.9871562 -2.7352559 -2.689026 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.12605889161282 variable y0 equal ${yi} variable y0 equal 7.46482060280108 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.05902936776333 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.53529954281115 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2801 -2.9871562 -2.7352559 -2.689026 2802 -2.9871562 -2.7352559 -2.7244811 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.12605889161282 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.46482060280108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.94641846377841 variable y0 equal ${yi} variable y0 equal 4.67712874764368 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 6.03995888192645 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.75960318201944 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2802 -2.9871562 -2.7352559 -2.7244811 2803 -2.9871562 -2.7352559 -2.6823193 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 5.94641846377841 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.67712874764368 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 8 variable x0 equal ${xi} variable x0 equal 3.72890197554714 variable y0 equal ${yi} variable y0 equal 1.0604893166903 set atom $i x ${xnew} set atom 8 x ${xnew} set atom 8 x 3.73698945561535 1 settings made for x set atom $i y ${ynew} set atom 8 y ${ynew} set atom 8 y 1.07722431014809 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2803 -2.9871562 -2.7352559 -2.6823193 2804 -2.9871562 -2.7352559 -2.7313159 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 8 x ${x0} set atom 8 x 3.72890197554714 1 settings made for x set atom $i y ${y0} set atom 8 y ${y0} set atom 8 y 1.0604893166903 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.67711982884829 variable y0 equal ${yi} variable y0 equal 7.46412369337345 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.71516447225039 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.52710440483356 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2804 -2.9871562 -2.7352559 -2.7313159 2805 -2.9871562 -2.7352559 -2.6938042 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 97 x ${x0} set atom 97 x 8.67711982884829 1 settings made for x set atom $i y ${y0} set atom 97 y ${y0} set atom 97 y 7.46412369337345 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 50 variable x0 equal ${xi} variable x0 equal 4.92057361244498 variable y0 equal ${yi} variable y0 equal 4.60940848940775 set atom $i x ${xnew} set atom 50 x ${xnew} set atom 50 x 5.01971554397879 1 settings made for x set atom $i y ${ynew} set atom 50 y ${ynew} set atom 50 y 4.65980476492807 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2805 -2.9871562 -2.7352559 -2.6938042 2806 -2.9871562 -2.7352559 -2.6812868 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 50 x ${x0} set atom 50 x 4.92057361244498 1 settings made for x set atom $i y ${y0} set atom 50 y ${y0} set atom 50 y 4.60940848940775 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 86 variable x0 equal ${xi} variable x0 equal 2.71264111001922 variable y0 equal ${yi} variable y0 equal 8.37165092147884 set atom $i x ${xnew} set atom 86 x ${xnew} set atom 86 x 2.81154446800186 1 settings made for x set atom $i y ${ynew} set atom 86 y ${ynew} set atom 86 y 8.29976930536327 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2806 -2.9871562 -2.7352559 -2.6812868 2807 -2.9871562 -2.7352559 -2.7039371 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 86 x ${x0} set atom 86 x 2.71264111001922 1 settings made for x set atom $i y ${y0} set atom 86 y ${y0} set atom 86 y 8.37165092147884 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.17698586899788 variable y0 equal ${yi} variable y0 equal 4.70937407368584 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.08188451249153 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.65171871537133 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2807 -2.9871562 -2.7352559 -2.7039371 2808 -2.9871562 -2.7352559 -2.7247428 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 58 x ${x0} set atom 58 x 9.17698586899788 1 settings made for x set atom $i y ${y0} set atom 58 y ${y0} set atom 58 y 4.70937407368584 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.1299801353476 variable y0 equal ${yi} variable y0 equal 2.75316406461099 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.1996854070685 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.67875312539438 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2808 -2.9871562 -2.7352559 -2.7247428 2809 -2.9871562 -2.7352559 -2.7250791 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.1299801353476 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.75316406461099 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.54984512486879 variable y0 equal ${yi} variable y0 equal 3.69442252679001 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.48512354054872 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.6499803261293 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2809 -2.9871562 -2.7352559 -2.7250791 2810 -2.9871562 -2.7352559 -2.7140352 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.54984512486879 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.69442252679001 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 41 variable x0 equal ${xi} variable x0 equal 10.7038741310291 variable y0 equal ${yi} variable y0 equal 3.65389419360293 set atom $i x ${xnew} set atom 41 x ${xnew} set atom 41 x 10.6870362599544 1 settings made for x set atom $i y ${ynew} set atom 41 y ${ynew} set atom 41 y 3.66455660624636 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2810 -2.9871562 -2.7352559 -2.7140352 2811 -2.9871562 -2.7352559 -2.7346401 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 41 x ${x0} set atom 41 x 10.7038741310291 1 settings made for x set atom $i y ${y0} set atom 41 y ${y0} set atom 41 y 3.65389419360293 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.42402232089902 variable y0 equal ${yi} variable y0 equal 3.68856803937089 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.50663917461301 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.6222579674257 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2811 -2.9871562 -2.7352559 -2.7346401 2812 -2.9871562 -2.7352559 -2.6799913 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 51 x ${x0} set atom 51 x 5.42402232089902 1 settings made for x set atom $i y ${y0} set atom 51 y ${y0} set atom 51 y 3.68856803937089 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 6.99553199091598 variable y0 equal ${yi} variable y0 equal 8.37164120592174 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 7.0386260298793 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.4339986554533 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2812 -2.9871562 -2.7352559 -2.6799913 2813 -2.9871562 -2.7352559 -2.7215537 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 6.99553199091598 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.37164120592174 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 81 variable x0 equal ${xi} variable x0 equal 0.0322040319442937 variable y0 equal ${yi} variable y0 equal 7.38692112293505 set atom $i x ${xnew} set atom 81 x ${xnew} set atom 81 x 0.0660421609878728 1 settings made for x set atom $i y ${ynew} set atom 81 y ${ynew} set atom 81 y 7.30087215032839 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2813 -2.9871562 -2.7352559 -2.7215537 2814 -2.9871562 -2.7352559 -2.7146773 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 81 x ${x0} set atom 81 x 0.0322040319442937 1 settings made for x set atom $i y ${y0} set atom 81 y ${y0} set atom 81 y 7.38692112293505 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.0613916098962 variable y0 equal ${yi} variable y0 equal 6.54508387581339 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 7.98766930698253 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.63608115450373 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2814 -2.9871562 -2.7352559 -2.7146773 2815 -2.9871562 -2.7352559 -2.6847716 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 76 x ${x0} set atom 76 x 8.0613916098962 1 settings made for x set atom $i y ${y0} set atom 76 y ${y0} set atom 76 y 6.54508387581339 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 36 variable x0 equal ${xi} variable x0 equal 8.01815503238536 variable y0 equal ${yi} variable y0 equal 2.72729808064798 set atom $i x ${xnew} set atom 36 x ${xnew} set atom 36 x 8.06178798078395 1 settings made for x set atom $i y ${ynew} set atom 36 y ${ynew} set atom 36 y 2.74185490580896 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2815 -2.9871562 -2.7352559 -2.6847716 2816 -2.9871562 -2.7352559 -2.7346192 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.73461922654459 variable naccept equal ${increment} variable naccept equal 473 next iter jump SELF loop variable i equal ${irandom} variable i equal 36 variable x0 equal ${xi} variable x0 equal 8.06178798078395 variable y0 equal ${yi} variable y0 equal 2.74185490580896 set atom $i x ${xnew} set atom 36 x ${xnew} set atom 36 x 8.02489237188197 1 settings made for x set atom $i y ${ynew} set atom 36 y ${ynew} set atom 36 y 2.70884422036508 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2816 -2.9871562 -2.7346192 -2.7346192 2817 -2.9871562 -2.7346192 -2.7313252 Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms 2496.6% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 36 x ${x0} set atom 36 x 8.06178798078395 1 settings made for x set atom $i y ${y0} set atom 36 y ${y0} set atom 36 y 2.74185490580896 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.59829139590045 variable y0 equal ${yi} variable y0 equal 2.77385951253275 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.68548083185931 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.82375657531122 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2817 -2.9871562 -2.7346192 -2.7313252 2818 -2.9871562 -2.7346192 -2.719074 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 24 x ${x0} set atom 24 x 1.59829139590045 1 settings made for x set atom $i y ${y0} set atom 24 y ${y0} set atom 24 y 2.77385951253275 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.53527552921544 variable y0 equal ${yi} variable y0 equal 3.71127284331453 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.59062093336354 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.67420799298418 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2818 -2.9871562 -2.7346192 -2.719074 2819 -2.9871562 -2.7346192 -2.7164654 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 55 x ${x0} set atom 55 x 7.53527552921544 1 settings made for x set atom $i y ${y0} set atom 55 y ${y0} set atom 55 y 3.71127284331453 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.22492432355444 variable y0 equal ${yi} variable y0 equal 0.0240613460540867 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.18588270902197 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y 0.037761545181284 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2819 -2.9871562 -2.7346192 -2.7164654 2820 -2.9871562 -2.7346192 -2.7305204 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 7 x ${x0} set atom 7 x 3.22492432355444 1 settings made for x set atom $i y ${y0} set atom 7 y ${y0} set atom 7 y 0.0240613460540867 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.2013416862444 variable y0 equal ${yi} variable y0 equal 1.98039417645997 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.10281997680226 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 1.95739068172044 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2820 -2.9871562 -2.7346192 -2.7305204 2821 -2.9871562 -2.7346192 -2.6993644 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 27 x ${x0} set atom 27 x 3.2013416862444 1 settings made for x set atom $i y ${y0} set atom 27 y ${y0} set atom 27 y 1.98039417645997 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.24420675992527 variable y0 equal ${yi} variable y0 equal 3.73567457957399 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.26825663804569 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.65152992768419 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2821 -2.9871562 -2.7346192 -2.6993644 2822 -2.9871562 -2.7346192 -2.7123427 Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms 2496.6% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.24420675992527 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.73567457957399 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 74 variable x0 equal ${xi} variable x0 equal 7.04742242375061 variable y0 equal ${yi} variable y0 equal 6.46128811375131 set atom $i x ${xnew} set atom 74 x ${xnew} set atom 74 x 7.09703001061127 1 settings made for x set atom $i y ${ynew} set atom 74 y ${ynew} set atom 74 y 6.49502869383325 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2822 -2.9871562 -2.7346192 -2.7123427 2823 -2.9871562 -2.7346192 -2.7211091 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 74 x ${x0} set atom 74 x 7.04742242375061 1 settings made for x set atom $i y ${y0} set atom 74 y ${y0} set atom 74 y 6.46128811375131 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 50 variable x0 equal ${xi} variable x0 equal 4.92057361244498 variable y0 equal ${yi} variable y0 equal 4.60940848940775 set atom $i x ${xnew} set atom 50 x ${xnew} set atom 50 x 4.83780635237036 1 settings made for x set atom $i y ${ynew} set atom 50 y ${ynew} set atom 50 y 4.52375934475824 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2823 -2.9871562 -2.7346192 -2.7211091 2824 -2.9871562 -2.7346192 -2.6808256 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 50 x ${x0} set atom 50 x 4.92057361244498 1 settings made for x set atom $i y ${y0} set atom 50 y ${y0} set atom 50 y 4.60940848940775 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 62 variable x0 equal ${xi} variable x0 equal 0.654104717174436 variable y0 equal ${yi} variable y0 equal 6.49111358658304 set atom $i x ${xnew} set atom 62 x ${xnew} set atom 62 x 0.68080179254141 1 settings made for x set atom $i y ${ynew} set atom 62 y ${ynew} set atom 62 y 6.46343442932596 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2824 -2.9871562 -2.7346192 -2.6808256 2825 -2.9871562 -2.7346192 -2.7215052 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 62 x ${x0} set atom 62 x 0.654104717174436 1 settings made for x set atom $i y ${y0} set atom 62 y ${y0} set atom 62 y 6.49111358658304 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.0613916098962 variable y0 equal ${yi} variable y0 equal 6.54508387581339 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 8.10630074142315 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.60853179232111 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2825 -2.9871562 -2.7346192 -2.7215052 2826 -2.9871562 -2.7346192 -2.7317584 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 76 x ${x0} set atom 76 x 8.0613916098962 1 settings made for x set atom $i y ${y0} set atom 76 y ${y0} set atom 76 y 6.54508387581339 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 8 variable x0 equal ${xi} variable x0 equal 3.72890197554714 variable y0 equal ${yi} variable y0 equal 1.0604893166903 set atom $i x ${xnew} set atom 8 x ${xnew} set atom 8 x 3.8149127415765 1 settings made for x set atom $i y ${ynew} set atom 8 y ${ynew} set atom 8 y 1.08133778165612 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2826 -2.9871562 -2.7346192 -2.7317584 2827 -2.9871562 -2.7346192 -2.7060666 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 8 x ${x0} set atom 8 x 3.72890197554714 1 settings made for x set atom $i y ${y0} set atom 8 y ${y0} set atom 8 y 1.0604893166903 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 82 variable x0 equal ${xi} variable x0 equal 0.480583484569456 variable y0 equal ${yi} variable y0 equal 8.38369611419733 set atom $i x ${xnew} set atom 82 x ${xnew} set atom 82 x 0.537129850784208 1 settings made for x set atom $i y ${ynew} set atom 82 y ${ynew} set atom 82 y 8.37846516288812 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2827 -2.9871562 -2.7346192 -2.7060666 2828 -2.9871562 -2.7346192 -2.7350283 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.7350282884753 variable naccept equal ${increment} variable naccept equal 474 next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.41745940843489 variable y0 equal ${yi} variable y0 equal 5.54884942715364 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.39948711791899 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.51152824108797 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2828 -2.9871562 -2.7350283 -2.7350283 2829 -2.9871562 -2.7350283 -2.7282 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.41745940843489 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.54884942715364 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 95 variable x0 equal ${xi} variable x0 equal 7.50331240732442 variable y0 equal ${yi} variable y0 equal 7.44483136263156 set atom $i x ${xnew} set atom 95 x ${xnew} set atom 95 x 7.40449626285802 1 settings made for x set atom $i y ${ynew} set atom 95 y ${ynew} set atom 95 y 7.43731093731189 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2829 -2.9871562 -2.7350283 -2.7282 2830 -2.9871562 -2.7350283 -2.707295 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 95 x ${x0} set atom 95 x 7.50331240732442 1 settings made for x set atom $i y ${y0} set atom 95 y ${y0} set atom 95 y 7.44483136263156 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.525174053111937 variable y0 equal ${yi} variable y0 equal 0.894475575197066 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.46293288032141 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.869073136556472 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2830 -2.9871562 -2.7350283 -2.707295 2831 -2.9871562 -2.7350283 -2.7324608 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.525174053111937 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.894475575197066 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.23979663292276 variable y0 equal ${yi} variable y0 equal 5.5713402385016 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.27537042538034 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.5052621597548 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2831 -2.9871562 -2.7350283 -2.7324608 2832 -2.9871562 -2.7350283 -2.709815 Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.23979663292276 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.5713402385016 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.88060106316253 variable y0 equal ${yi} variable y0 equal 0.960105260122139 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.89575364866897 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 0.996047552335579 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2832 -2.9871562 -2.7350283 -2.709815 2833 -2.9871562 -2.7350283 -2.7303977 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.88060106316253 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 0.960105260122139 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.57288145302412 variable y0 equal ${yi} variable y0 equal 3.68945432467593 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.58383195875761 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.69770476384295 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2833 -2.9871562 -2.7350283 -2.7303977 2834 -2.9871562 -2.7350283 -2.7369839 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.73698390052081 variable naccept equal ${increment} variable naccept equal 475 next iter jump SELF loop variable i equal ${irandom} variable i equal 64 variable x0 equal ${xi} variable x0 equal 1.68984863638659 variable y0 equal ${yi} variable y0 equal 6.46641751066677 set atom $i x ${xnew} set atom 64 x ${xnew} set atom 64 x 1.610764287708 1 settings made for x set atom $i y ${ynew} set atom 64 y ${ynew} set atom 64 y 6.56570050255291 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2834 -2.9871562 -2.7369839 -2.7369839 2835 -2.9871562 -2.7369839 -2.7116293 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 64 x ${x0} set atom 64 x 1.68984863638659 1 settings made for x set atom $i y ${y0} set atom 64 y ${y0} set atom 64 y 6.46641751066677 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 50 variable x0 equal ${xi} variable x0 equal 4.92057361244498 variable y0 equal ${yi} variable y0 equal 4.60940848940775 set atom $i x ${xnew} set atom 50 x ${xnew} set atom 50 x 4.90417986749945 1 settings made for x set atom $i y ${ynew} set atom 50 y ${ynew} set atom 50 y 4.54816781634256 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2835 -2.9871562 -2.7369839 -2.7116293 2836 -2.9871562 -2.7369839 -2.7205293 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 50 x ${x0} set atom 50 x 4.92057361244498 1 settings made for x set atom $i y ${y0} set atom 50 y ${y0} set atom 50 y 4.60940848940775 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.67711982884829 variable y0 equal ${yi} variable y0 equal 7.46412369337345 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.77481959023898 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.4096861990955 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2836 -2.9871562 -2.7369839 -2.7205293 2837 -2.9871562 -2.7369839 -2.6814752 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 97 x ${x0} set atom 97 x 8.67711982884829 1 settings made for x set atom $i y ${y0} set atom 97 y ${y0} set atom 97 y 7.46412369337345 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.22492432355444 variable y0 equal ${yi} variable y0 equal 0.0240613460540867 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.16185431241552 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y 0.117824912071238 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2837 -2.9871562 -2.7369839 -2.6814752 2838 -2.9871562 -2.7369839 -2.695527 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 7 x ${x0} set atom 7 x 3.22492432355444 1 settings made for x set atom $i y ${y0} set atom 7 y ${y0} set atom 7 y 0.0240613460540867 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 70 variable x0 equal ${xi} variable x0 equal 4.89040735601722 variable y0 equal ${yi} variable y0 equal 6.45623155371179 set atom $i x ${xnew} set atom 70 x ${xnew} set atom 70 x 4.94040522217094 1 settings made for x set atom $i y ${ynew} set atom 70 y ${ynew} set atom 70 y 6.48322245613565 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2838 -2.9871562 -2.7369839 -2.695527 2839 -2.9871562 -2.7369839 -2.730715 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 70 x ${x0} set atom 70 x 4.89040735601722 1 settings made for x set atom $i y ${y0} set atom 70 y ${y0} set atom 70 y 6.45623155371179 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 8 variable x0 equal ${xi} variable x0 equal 3.72890197554714 variable y0 equal ${yi} variable y0 equal 1.0604893166903 set atom $i x ${xnew} set atom 8 x ${xnew} set atom 8 x 3.78174237528927 1 settings made for x set atom $i y ${ynew} set atom 8 y ${ynew} set atom 8 y 1.05088165591988 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2839 -2.9871562 -2.7369839 -2.730715 2840 -2.9871562 -2.7369839 -2.7308492 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 8 x ${x0} set atom 8 x 3.72890197554714 1 settings made for x set atom $i y ${y0} set atom 8 y ${y0} set atom 8 y 1.0604893166903 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.40679665882798 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.45198582356173 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2840 -2.9871562 -2.7369839 -2.7308492 2841 -2.9871562 -2.7369839 -2.7162429 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.2036228899023 variable y0 equal ${yi} variable y0 equal 4.57710585946008 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.1387429002783 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.62850686663553 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2841 -2.9871562 -2.7369839 -2.7162429 2842 -2.9871562 -2.7369839 -2.7255773 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 60 x ${x0} set atom 60 x 10.2036228899023 1 settings made for x set atom $i y ${y0} set atom 60 y ${y0} set atom 60 y 4.57710585946008 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 19 variable x0 equal ${xi} variable x0 equal 9.57771970509168 variable y0 equal ${yi} variable y0 equal 0.0528771042823788 set atom $i x ${xnew} set atom 19 x ${xnew} set atom 19 x 9.54838641165372 1 settings made for x set atom $i y ${ynew} set atom 19 y ${ynew} set atom 19 y 0.0355846643447872 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2842 -2.9871562 -2.7369839 -2.7255773 2843 -2.9871562 -2.7369839 -2.7337954 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 19 x ${x0} set atom 19 x 9.57771970509168 1 settings made for x set atom $i y ${y0} set atom 19 y ${y0} set atom 19 y 0.0528771042823788 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 51 variable x0 equal ${xi} variable x0 equal 5.42402232089902 variable y0 equal ${yi} variable y0 equal 3.68856803937089 set atom $i x ${xnew} set atom 51 x ${xnew} set atom 51 x 5.50094499984647 1 settings made for x set atom $i y ${ynew} set atom 51 y ${ynew} set atom 51 y 3.70379789633882 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2843 -2.9871562 -2.7369839 -2.7337954 2844 -2.9871562 -2.7369839 -2.7217469 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 51 x ${x0} set atom 51 x 5.42402232089902 1 settings made for x set atom $i y ${y0} set atom 51 y ${y0} set atom 51 y 3.68856803937089 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.29802477120916 variable y0 equal ${yi} variable y0 equal 5.57190024798112 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.29679337501089 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.53923573439317 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2844 -2.9871562 -2.7369839 -2.7217469 2845 -2.9871562 -2.7369839 -2.7341621 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 67 x ${x0} set atom 67 x 3.29802477120916 1 settings made for x set atom $i y ${y0} set atom 67 y ${y0} set atom 67 y 5.57190024798112 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.00678724327727 variable y0 equal ${yi} variable y0 equal 4.66030267828866 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 6.91450741568251 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.57411599511071 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2845 -2.9871562 -2.7369839 -2.7341621 2846 -2.9871562 -2.7369839 -2.6721286 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.00678724327727 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.66030267828866 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.78350791255122 variable y0 equal ${yi} variable y0 equal 8.3979895225912 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.86914359847194 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.33906223691996 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2846 -2.9871562 -2.7369839 -2.6721286 2847 -2.9871562 -2.7369839 -2.7131516 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.78350791255122 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.3979895225912 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.16921079794274 variable y0 equal ${yi} variable y0 equal 1.86157575032777 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.26241013447152 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.80661555907792 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2847 -2.9871562 -2.7369839 -2.7131516 2848 -2.9871562 -2.7369839 -2.7004526 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.16921079794274 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.86157575032777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 47 variable x0 equal ${xi} variable x0 equal 3.24420675992527 variable y0 equal ${yi} variable y0 equal 3.73567457957399 set atom $i x ${xnew} set atom 47 x ${xnew} set atom 47 x 3.25998548030415 1 settings made for x set atom $i y ${ynew} set atom 47 y ${ynew} set atom 47 y 3.65852319760454 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2848 -2.9871562 -2.7369839 -2.7004526 2849 -2.9871562 -2.7369839 -2.7190751 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 47 x ${x0} set atom 47 x 3.24420675992527 1 settings made for x set atom $i y ${y0} set atom 47 y ${y0} set atom 47 y 3.73567457957399 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.87285548408023 variable y0 equal ${yi} variable y0 equal 8.36937119878825 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.92915312011233 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.29872080005702 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2849 -2.9871562 -2.7369839 -2.7190751 2850 -2.9871562 -2.7369839 -2.7308957 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.87285548408023 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.36937119878825 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.30746670165922 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y -0.0753229856491114 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2850 -2.9871562 -2.7369839 -2.7308957 2851 -2.9871562 -2.7369839 -2.7212526 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.59001860499163 variable y0 equal ${yi} variable y0 equal 4.68076303357049 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.64269758343478 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.72210311049386 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2851 -2.9871562 -2.7369839 -2.7212526 2852 -2.9871562 -2.7369839 -2.7334065 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.59001860499163 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.68076303357049 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.67711982884829 variable y0 equal ${yi} variable y0 equal 7.46412369337345 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.63672733464663 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.39708643284107 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2852 -2.9871562 -2.7369839 -2.7334065 2853 -2.9871562 -2.7369839 -2.7401168 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.74011682652662 variable naccept equal ${increment} variable naccept equal 476 next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.80759401837473 variable y0 equal ${yi} variable y0 equal 4.6440585290806 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.77466896096354 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.64943774098322 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2853 -2.9871562 -2.7401168 -2.7401168 2854 -2.9871562 -2.7401168 -2.736625 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.80759401837473 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.6440585290806 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 17 variable x0 equal ${xi} variable x0 equal 8.56200896659319 variable y0 equal ${yi} variable y0 equal 9.2929022978577 set atom $i x ${xnew} set atom 17 x ${xnew} set atom 17 x 8.46673603215639 1 settings made for x set atom $i y ${ynew} set atom 17 y ${ynew} set atom 17 y 9.29884129274219 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2854 -2.9871562 -2.7401168 -2.736625 2855 -2.9871562 -2.7401168 -2.7276947 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 17 x ${x0} set atom 17 x 8.56200896659319 1 settings made for x set atom $i y ${y0} set atom 17 y ${y0} set atom 17 y 9.2929022978577 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 4 variable x0 equal ${xi} variable x0 equal 1.6009168970563 variable y0 equal ${yi} variable y0 equal 0.937610264528124 set atom $i x ${xnew} set atom 4 x ${xnew} set atom 4 x 1.56662630915423 1 settings made for x set atom $i y ${ynew} set atom 4 y ${ynew} set atom 4 y 0.974897797811358 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2855 -2.9871562 -2.7401168 -2.7276947 2856 -2.9871562 -2.7401168 -2.7323997 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 4 x ${x0} set atom 4 x 1.6009168970563 1 settings made for x set atom $i y ${y0} set atom 4 y ${y0} set atom 4 y 0.937610264528124 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.98549635687515 variable y0 equal ${yi} variable y0 equal 2.82734158011773 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 6.92274221459076 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.88717529746392 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2856 -2.9871562 -2.7401168 -2.7323997 2857 -2.9871562 -2.7401168 -2.7211837 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.98549635687515 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.82734158011773 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 17 variable x0 equal ${xi} variable x0 equal 8.56200896659319 variable y0 equal ${yi} variable y0 equal 9.2929022978577 set atom $i x ${xnew} set atom 17 x ${xnew} set atom 17 x 8.51028349557344 1 settings made for x set atom $i y ${ynew} set atom 17 y ${ynew} set atom 17 y 9.24977608430713 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2857 -2.9871562 -2.7401168 -2.7211837 2858 -2.9871562 -2.7401168 -2.7380442 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 17 x ${x0} set atom 17 x 8.56200896659319 1 settings made for x set atom $i y ${y0} set atom 17 y ${y0} set atom 17 y 9.2929022978577 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 6.99553199091598 variable y0 equal ${yi} variable y0 equal 8.37164120592174 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 7.01552354374572 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.46766078390178 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2858 -2.9871562 -2.7401168 -2.7380442 2859 -2.9871562 -2.7401168 -2.7220239 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 6.99553199091598 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.37164120592174 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.65179307659102 variable y0 equal ${yi} variable y0 equal 2.85066882344583 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.6060112257762 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 2.81676659556726 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2859 -2.9871562 -2.7401168 -2.7220239 2860 -2.9871562 -2.7401168 -2.733221 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 26 x ${x0} set atom 26 x 2.65179307659102 1 settings made for x set atom $i y ${y0} set atom 26 y ${y0} set atom 26 y 2.85066882344583 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.29802477120916 variable y0 equal ${yi} variable y0 equal 5.57190024798112 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.37616592406789 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.49137874787049 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2860 -2.9871562 -2.7401168 -2.733221 2861 -2.9871562 -2.7401168 -2.705455 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 67 x ${x0} set atom 67 x 3.29802477120916 1 settings made for x set atom $i y ${y0} set atom 67 y ${y0} set atom 67 y 5.57190024798112 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 7 variable x0 equal ${xi} variable x0 equal 3.22492432355444 variable y0 equal ${yi} variable y0 equal 0.0240613460540867 set atom $i x ${xnew} set atom 7 x ${xnew} set atom 7 x 3.26789675712149 1 settings made for x set atom $i y ${ynew} set atom 7 y ${ynew} set atom 7 y 0.0533625006675816 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2861 -2.9871562 -2.7401168 -2.705455 2862 -2.9871562 -2.7401168 -2.7349808 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 7 x ${x0} set atom 7 x 3.22492432355444 1 settings made for x set atom $i y ${y0} set atom 7 y ${y0} set atom 7 y 0.0240613460540867 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 12 variable x0 equal ${xi} variable x0 equal 5.84254707057468 variable y0 equal ${yi} variable y0 equal 0.912364717233509 set atom $i x ${xnew} set atom 12 x ${xnew} set atom 12 x 5.93246039111606 1 settings made for x set atom $i y ${ynew} set atom 12 y ${ynew} set atom 12 y 0.894930155980915 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2862 -2.9871562 -2.7401168 -2.7349808 2863 -2.9871562 -2.7401168 -2.7116075 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 12 x ${x0} set atom 12 x 5.84254707057468 1 settings made for x set atom $i y ${y0} set atom 12 y ${y0} set atom 12 y 0.912364717233509 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 61 variable x0 equal ${xi} variable x0 equal 10.7244650800877 variable y0 equal ${yi} variable y0 equal 5.51692237799363 set atom $i x ${xnew} set atom 61 x ${xnew} set atom 61 x 10.7227787812405 1 settings made for x set atom $i y ${ynew} set atom 61 y ${ynew} set atom 61 y 5.47880016510682 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2863 -2.9871562 -2.7401168 -2.7116075 2864 -2.9871562 -2.7401168 -2.7364812 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 61 x ${x0} set atom 61 x 10.7244650800877 1 settings made for x set atom $i y ${y0} set atom 61 y ${y0} set atom 61 y 5.51692237799363 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 84 variable x0 equal ${xi} variable x0 equal 1.63794375538607 variable y0 equal ${yi} variable y0 equal 8.371298693791 set atom $i x ${xnew} set atom 84 x ${xnew} set atom 84 x 1.72922425150652 1 settings made for x set atom $i y ${ynew} set atom 84 y ${ynew} set atom 84 y 8.44964396871623 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2864 -2.9871562 -2.7401168 -2.7364812 2865 -2.9871562 -2.7401168 -2.6957987 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 84 x ${x0} set atom 84 x 1.63794375538607 1 settings made for x set atom $i y ${y0} set atom 84 y ${y0} set atom 84 y 8.371298693791 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 63 variable x0 equal ${xi} variable x0 equal 1.09178573210888 variable y0 equal ${yi} variable y0 equal 5.57776011173921 set atom $i x ${xnew} set atom 63 x ${xnew} set atom 63 x 1.16747178157024 1 settings made for x set atom $i y ${ynew} set atom 63 y ${ynew} set atom 63 y 5.59250082915025 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2865 -2.9871562 -2.7401168 -2.6957987 2866 -2.9871562 -2.7401168 -2.7317774 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 63 x ${x0} set atom 63 x 1.09178573210888 1 settings made for x set atom $i y ${y0} set atom 63 y ${y0} set atom 63 y 5.57776011173921 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.5878455599004 variable y0 equal ${yi} variable y0 equal 9.28117802846759 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.619244964903 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 9.30595166194766 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2866 -2.9871562 -2.7401168 -2.7317774 2867 -2.9871562 -2.7401168 -2.7460178 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.74601780987061 variable naccept equal ${increment} variable naccept equal 477 next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.78350791255122 variable y0 equal ${yi} variable y0 equal 8.3979895225912 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.85208652535563 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.46978365100917 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2867 -2.9871562 -2.7460178 -2.7460178 2868 -2.9871562 -2.7460178 -2.6987517 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.78350791255122 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.3979895225912 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 88 variable x0 equal ${xi} variable x0 equal 3.78350791255122 variable y0 equal ${yi} variable y0 equal 8.3979895225912 set atom $i x ${xnew} set atom 88 x ${xnew} set atom 88 x 3.87894938508159 1 settings made for x set atom $i y ${ynew} set atom 88 y ${ynew} set atom 88 y 8.38299249328669 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2868 -2.9871562 -2.7460178 -2.6987517 2869 -2.9871562 -2.7460178 -2.7121404 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 88 x ${x0} set atom 88 x 3.78350791255122 1 settings made for x set atom $i y ${y0} set atom 88 y ${y0} set atom 88 y 8.3979895225912 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.53527552921544 variable y0 equal ${yi} variable y0 equal 3.71127284331453 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.57565765220891 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.77771908803117 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2869 -2.9871562 -2.7460178 -2.7121404 2870 -2.9871562 -2.7460178 -2.7351062 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 55 x ${x0} set atom 55 x 7.53527552921544 1 settings made for x set atom $i y ${y0} set atom 55 y ${y0} set atom 55 y 3.71127284331453 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 37 variable x0 equal ${xi} variable x0 equal 8.51648090043489 variable y0 equal ${yi} variable y0 equal 1.84042694947785 set atom $i x ${xnew} set atom 37 x ${xnew} set atom 37 x 8.50988233247224 1 settings made for x set atom $i y ${ynew} set atom 37 y ${ynew} set atom 37 y 1.9197782315976 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2870 -2.9871562 -2.7460178 -2.7351062 2871 -2.9871562 -2.7460178 -2.7173325 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 37 x ${x0} set atom 37 x 8.51648090043489 1 settings made for x set atom $i y ${y0} set atom 37 y ${y0} set atom 37 y 1.84042694947785 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.92034897763721 variable y0 equal ${yi} variable y0 equal 2.80042437287667 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.8285017486333 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.83328481885293 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2871 -2.9871562 -2.7460178 -2.7173325 2872 -2.9871562 -2.7460178 -2.7191916 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 32 x ${x0} set atom 32 x 5.92034897763721 1 settings made for x set atom $i y ${y0} set atom 32 y ${y0} set atom 32 y 2.80042437287667 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.81670362273342 variable y0 equal ${yi} variable y0 equal 2.85977786752084 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.75732945719845 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.76425763341287 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2872 -2.9871562 -2.7460178 -2.7191916 2873 -2.9871562 -2.7460178 -2.7194484 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.81670362273342 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.85977786752084 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.88060106316253 variable y0 equal ${yi} variable y0 equal 0.960105260122139 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.83639247694656 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 0.92730747054847 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2873 -2.9871562 -2.7460178 -2.7194484 2874 -2.9871562 -2.7460178 -2.73703 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.88060106316253 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 0.960105260122139 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 49 variable x0 equal ${xi} variable x0 equal 4.37311956961365 variable y0 equal ${yi} variable y0 equal 3.73546738190782 set atom $i x ${xnew} set atom 49 x ${xnew} set atom 49 x 4.33536183912964 1 settings made for x set atom $i y ${ynew} set atom 49 y ${ynew} set atom 49 y 3.65623250765932 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2874 -2.9871562 -2.7460178 -2.73703 2875 -2.9871562 -2.7460178 -2.7230851 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 49 x ${x0} set atom 49 x 4.37311956961365 1 settings made for x set atom $i y ${y0} set atom 49 y ${y0} set atom 49 y 3.73546738190782 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.0514173328767 variable y0 equal ${yi} variable y0 equal 8.32951669611032 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.10657473205425 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.34698636449869 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2875 -2.9871562 -2.7460178 -2.7230851 2876 -2.9871562 -2.7460178 -2.7383096 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.0514173328767 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.32951669611032 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 59 variable x0 equal ${xi} variable x0 equal 9.58383195875761 variable y0 equal ${yi} variable y0 equal 3.69770476384295 set atom $i x ${xnew} set atom 59 x ${xnew} set atom 59 x 9.52548602102873 1 settings made for x set atom $i y ${ynew} set atom 59 y ${ynew} set atom 59 y 3.73298260731829 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2876 -2.9871562 -2.7460178 -2.7383096 2877 -2.9871562 -2.7460178 -2.7299668 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 59 x ${x0} set atom 59 x 9.58383195875761 1 settings made for x set atom $i y ${y0} set atom 59 y ${y0} set atom 59 y 3.69770476384295 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 58 variable x0 equal ${xi} variable x0 equal 9.17698586899788 variable y0 equal ${yi} variable y0 equal 4.70937407368584 set atom $i x ${xnew} set atom 58 x ${xnew} set atom 58 x 9.2417974324897 1 settings made for x set atom $i y ${ynew} set atom 58 y ${ynew} set atom 58 y 4.69672087782784 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2877 -2.9871562 -2.7460178 -2.7299668 2878 -2.9871562 -2.7460178 -2.72773 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 58 x ${x0} set atom 58 x 9.17698586899788 1 settings made for x set atom $i y ${y0} set atom 58 y ${y0} set atom 58 y 4.70937407368584 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 77 variable x0 equal ${xi} variable x0 equal 8.60149228730623 variable y0 equal ${yi} variable y0 equal 5.64612317030626 set atom $i x ${xnew} set atom 77 x ${xnew} set atom 77 x 8.57114582219545 1 settings made for x set atom $i y ${ynew} set atom 77 y ${ynew} set atom 77 y 5.58310202305513 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2878 -2.9871562 -2.7460178 -2.72773 2879 -2.9871562 -2.7460178 -2.7450882 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.74508824593695 variable naccept equal ${increment} variable naccept equal 478 next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.75945490796997 variable y0 equal ${yi} variable y0 equal 6.47566335932247 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.70507153470947 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.43717952505581 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2879 -2.9871562 -2.7450882 -2.7450882 2880 -2.9871562 -2.7450882 -2.7292223 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 66 x ${x0} set atom 66 x 2.75945490796997 1 settings made for x set atom $i y ${y0} set atom 66 y ${y0} set atom 66 y 6.47566335932247 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.1918648365994 variable y0 equal ${yi} variable y0 equal 8.31194528259334 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.1914764288922 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.26480926193294 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2880 -2.9871562 -2.7450882 -2.7292223 2881 -2.9871562 -2.7450882 -2.7371463 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 100 x ${x0} set atom 100 x 10.1918648365994 1 settings made for x set atom $i y ${y0} set atom 100 y ${y0} set atom 100 y 8.31194528259334 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 35 variable x0 equal ${xi} variable x0 equal 7.41105691034568 variable y0 equal ${yi} variable y0 equal 1.86285059831208 set atom $i x ${xnew} set atom 35 x ${xnew} set atom 35 x 7.34556621153129 1 settings made for x set atom $i y ${ynew} set atom 35 y ${ynew} set atom 35 y 1.93229205987519 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2881 -2.9871562 -2.7450882 -2.7371463 2882 -2.9871562 -2.7450882 -2.7182457 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 35 x ${x0} set atom 35 x 7.41105691034568 1 settings made for x set atom $i y ${y0} set atom 35 y ${y0} set atom 35 y 1.86285059831208 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.31596373716261 variable y0 equal ${yi} variable y0 equal 1.83819601914949 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.36107815900709 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.82045663974351 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2882 -2.9871562 -2.7450882 -2.7182457 2883 -2.9871562 -2.7450882 -2.7391164 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 31 x ${x0} set atom 31 x 5.31596373716261 1 settings made for x set atom $i y ${y0} set atom 31 y ${y0} set atom 31 y 1.83819601914949 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 60 variable x0 equal ${xi} variable x0 equal 10.2036228899023 variable y0 equal ${yi} variable y0 equal 4.57710585946008 set atom $i x ${xnew} set atom 60 x ${xnew} set atom 60 x 10.2488846186659 1 settings made for x set atom $i y ${ynew} set atom 60 y ${ynew} set atom 60 y 4.49544091576501 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2883 -2.9871562 -2.7450882 -2.7391164 2884 -2.9871562 -2.7450882 -2.7150861 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 60 x ${x0} set atom 60 x 10.2036228899023 1 settings made for x set atom $i y ${y0} set atom 60 y ${y0} set atom 60 y 4.57710585946008 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 81 variable x0 equal ${xi} variable x0 equal 0.0322040319442937 variable y0 equal ${yi} variable y0 equal 7.38692112293505 set atom $i x ${xnew} set atom 81 x ${xnew} set atom 81 x 0.0871964335441777 1 settings made for x set atom $i y ${ynew} set atom 81 y ${ynew} set atom 81 y 7.46553445186877 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2884 -2.9871562 -2.7450882 -2.7150861 2885 -2.9871562 -2.7450882 -2.7389102 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 81 x ${x0} set atom 81 x 0.0322040319442937 1 settings made for x set atom $i y ${y0} set atom 81 y ${y0} set atom 81 y 7.38692112293505 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 62 variable x0 equal ${xi} variable x0 equal 0.654104717174436 variable y0 equal ${yi} variable y0 equal 6.49111358658304 set atom $i x ${xnew} set atom 62 x ${xnew} set atom 62 x 0.647362239757444 1 settings made for x set atom $i y ${ynew} set atom 62 y ${ynew} set atom 62 y 6.49172300831308 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2885 -2.9871562 -2.7450882 -2.7389102 2886 -2.9871562 -2.7450882 -2.7463865 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.74638648884633 variable naccept equal ${increment} variable naccept equal 479 next iter jump SELF loop variable i equal ${irandom} variable i equal 100 variable x0 equal ${xi} variable x0 equal 10.1918648365994 variable y0 equal ${yi} variable y0 equal 8.31194528259334 set atom $i x ${xnew} set atom 100 x ${xnew} set atom 100 x 10.1316761855145 1 settings made for x set atom $i y ${ynew} set atom 100 y ${ynew} set atom 100 y 8.39167008318004 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2886 -2.9871562 -2.7463865 -2.7463865 2887 -2.9871562 -2.7463865 -2.7428415 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 100 x ${x0} set atom 100 x 10.1918648365994 1 settings made for x set atom $i y ${y0} set atom 100 y ${y0} set atom 100 y 8.31194528259334 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.31596373716261 variable y0 equal ${yi} variable y0 equal 1.83819601914949 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.28429228464033 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.78084020993776 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2887 -2.9871562 -2.7463865 -2.7428415 2888 -2.9871562 -2.7463865 -2.7349875 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 31 x ${x0} set atom 31 x 5.31596373716261 1 settings made for x set atom $i y ${y0} set atom 31 y ${y0} set atom 31 y 1.83819601914949 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.53527552921544 variable y0 equal ${yi} variable y0 equal 3.71127284331453 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.57544324238072 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.68846340937746 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2888 -2.9871562 -2.7463865 -2.7349875 2889 -2.9871562 -2.7463865 -2.7365256 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 55 x ${x0} set atom 55 x 7.53527552921544 1 settings made for x set atom $i y ${y0} set atom 55 y ${y0} set atom 55 y 3.71127284331453 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.32252682526322 variable y0 equal ${yi} variable y0 equal 7.38917808857226 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.37924490053864 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.38926897373461 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2889 -2.9871562 -2.7463865 -2.7365256 2890 -2.9871562 -2.7463865 -2.7376317 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.32252682526322 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.38917808857226 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.13902074734077 variable y0 equal ${yi} variable y0 equal 9.29444277990191 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 2.18382800260887 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y 9.23138658511965 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2890 -2.9871562 -2.7463865 -2.7376317 2891 -2.9871562 -2.7463865 -2.7330712 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 2.13902074734077 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 9.29444277990191 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 9 variable x0 equal ${xi} variable x0 equal 4.27178276856155 variable y0 equal ${yi} variable y0 equal 0.00600513219834582 set atom $i x ${xnew} set atom 9 x ${xnew} set atom 9 x 4.20846890289993 1 settings made for x set atom $i y ${ynew} set atom 9 y ${ynew} set atom 9 y -0.0873478889465211 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2891 -2.9871562 -2.7463865 -2.7330712 2892 -2.9871562 -2.7463865 -2.6922293 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 9 x ${x0} set atom 9 x 4.27178276856155 1 settings made for x set atom $i y ${y0} set atom 9 y ${y0} set atom 9 y 0.00600513219834582 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.59001860499163 variable y0 equal ${yi} variable y0 equal 4.68076303357049 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.58529851317187 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.70976494902536 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2892 -2.9871562 -2.7463865 -2.6922293 2893 -2.9871562 -2.7463865 -2.7416324 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.59001860499163 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.68076303357049 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 3 variable x0 equal ${xi} variable x0 equal 1.02897904236965 variable y0 equal ${yi} variable y0 equal 9.27259716499179 set atom $i x ${xnew} set atom 3 x ${xnew} set atom 3 x 0.991186252433584 1 settings made for x set atom $i y ${ynew} set atom 3 y ${ynew} set atom 3 y 9.23895915258258 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2893 -2.9871562 -2.7463865 -2.7416324 2894 -2.9871562 -2.7463865 -2.734163 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 3 x ${x0} set atom 3 x 1.02897904236965 1 settings made for x set atom $i y ${y0} set atom 3 y ${y0} set atom 3 y 9.27259716499179 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.23979663292276 variable y0 equal ${yi} variable y0 equal 5.5713402385016 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.16303541103708 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.55003341381746 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2894 -2.9871562 -2.7463865 -2.734163 2895 -2.9871562 -2.7463865 -2.7477109 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.74771086926314 variable naccept equal ${increment} variable naccept equal 480 next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.65179307659102 variable y0 equal ${yi} variable y0 equal 2.85066882344583 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.58917147119475 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 2.86258337470392 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2895 -2.9871562 -2.7477109 -2.7477109 2896 -2.9871562 -2.7477109 -2.7342558 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 26 x ${x0} set atom 26 x 2.65179307659102 1 settings made for x set atom $i y ${y0} set atom 26 y ${y0} set atom 26 y 2.85066882344583 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 34 variable x0 equal ${xi} variable x0 equal 6.98549635687515 variable y0 equal ${yi} variable y0 equal 2.82734158011773 set atom $i x ${xnew} set atom 34 x ${xnew} set atom 34 x 6.95474745312378 1 settings made for x set atom $i y ${ynew} set atom 34 y ${ynew} set atom 34 y 2.88480740758279 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2896 -2.9871562 -2.7477109 -2.7342558 2897 -2.9871562 -2.7477109 -2.7356341 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 34 x ${x0} set atom 34 x 6.98549635687515 1 settings made for x set atom $i y ${y0} set atom 34 y ${y0} set atom 34 y 2.82734158011773 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.95025718807079 variable y0 equal ${yi} variable y0 equal 0.949378951299518 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 7.99898086189128 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 1.02304260324272 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2897 -2.9871562 -2.7477109 -2.7356341 2898 -2.9871562 -2.7477109 -2.7211955 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.95025718807079 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.949378951299518 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 94 variable x0 equal ${xi} variable x0 equal 6.99553199091598 variable y0 equal ${yi} variable y0 equal 8.37164120592174 set atom $i x ${xnew} set atom 94 x ${xnew} set atom 94 x 7.08363352099105 1 settings made for x set atom $i y ${ynew} set atom 94 y ${ynew} set atom 94 y 8.44633307375011 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2898 -2.9871562 -2.7477109 -2.7211955 2899 -2.9871562 -2.7477109 -2.7106872 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 94 x ${x0} set atom 94 x 6.99553199091598 1 settings made for x set atom $i y ${y0} set atom 94 y ${y0} set atom 94 y 8.37164120592174 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 11 variable x0 equal ${xi} variable x0 equal 5.31181888976957 variable y0 equal ${yi} variable y0 equal 0.00601137876510371 set atom $i x ${xnew} set atom 11 x ${xnew} set atom 11 x 5.38708724180128 1 settings made for x set atom $i y ${ynew} set atom 11 y ${ynew} set atom 11 y 0.0852705717086767 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2899 -2.9871562 -2.7477109 -2.7106872 2900 -2.9871562 -2.7477109 -2.7150233 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 11 x ${x0} set atom 11 x 5.31181888976957 1 settings made for x set atom $i y ${y0} set atom 11 y ${y0} set atom 11 y 0.00601137876510371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 56 variable x0 equal ${xi} variable x0 equal 8.10495061277249 variable y0 equal ${yi} variable y0 equal 4.66507560366557 set atom $i x ${xnew} set atom 56 x ${xnew} set atom 56 x 8.11024232505658 1 settings made for x set atom $i y ${ynew} set atom 56 y ${ynew} set atom 56 y 4.63128328675197 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2900 -2.9871562 -2.7477109 -2.7150233 2901 -2.9871562 -2.7477109 -2.7477588 Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms 2496.6% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.74775879703239 variable naccept equal ${increment} variable naccept equal 481 next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.26957070906373 variable y0 equal ${yi} variable y0 equal 1.93462480685777 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.2088931449196 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.9405924715764 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2901 -2.9871562 -2.7477588 -2.7477588 2902 -2.9871562 -2.7477588 -2.7360019 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.26957070906373 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.93462480685777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.2013416862444 variable y0 equal ${yi} variable y0 equal 1.98039417645997 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.29144809007207 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 1.93175527236527 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2902 -2.9871562 -2.7477588 -2.7360019 2903 -2.9871562 -2.7477588 -2.724217 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 27 x ${x0} set atom 27 x 3.2013416862444 1 settings made for x set atom $i y ${y0} set atom 27 y ${y0} set atom 27 y 1.98039417645997 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 48 variable x0 equal ${xi} variable x0 equal 3.80759401837473 variable y0 equal ${yi} variable y0 equal 4.6440585290806 set atom $i x ${xnew} set atom 48 x ${xnew} set atom 48 x 3.75519778052454 1 settings made for x set atom $i y ${ynew} set atom 48 y ${ynew} set atom 48 y 4.67849964255258 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2903 -2.9871562 -2.7477588 -2.724217 2904 -2.9871562 -2.7477588 -2.7357003 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 48 x ${x0} set atom 48 x 3.80759401837473 1 settings made for x set atom $i y ${y0} set atom 48 y ${y0} set atom 48 y 4.6440585290806 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 76 variable x0 equal ${xi} variable x0 equal 8.0613916098962 variable y0 equal ${yi} variable y0 equal 6.54508387581339 set atom $i x ${xnew} set atom 76 x ${xnew} set atom 76 x 8.02383785842754 1 settings made for x set atom $i y ${ynew} set atom 76 y ${ynew} set atom 76 y 6.55223035351267 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2904 -2.9871562 -2.7477588 -2.7357003 2905 -2.9871562 -2.7477588 -2.7386892 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 76 x ${x0} set atom 76 x 8.0613916098962 1 settings made for x set atom $i y ${y0} set atom 76 y ${y0} set atom 76 y 6.54508387581339 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.46380938370438 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.52789572422702 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2905 -2.9871562 -2.7477588 -2.7386892 2906 -2.9871562 -2.7477588 -2.7178369 Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms 2494.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.15111655909569 variable y0 equal ${yi} variable y0 equal 6.52915453449718 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 9.22650869805367 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.45403439537517 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2906 -2.9871562 -2.7477588 -2.7178369 2907 -2.9871562 -2.7477588 -2.7031758 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 78 x ${x0} set atom 78 x 9.15111655909569 1 settings made for x set atom $i y ${y0} set atom 78 y ${y0} set atom 78 y 6.52915453449718 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.54984512486879 variable y0 equal ${yi} variable y0 equal 3.69442252679001 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.45482155242387 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.66252357525955 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2907 -2.9871562 -2.7477588 -2.7031758 2908 -2.9871562 -2.7477588 -2.6961529 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 57 x ${x0} set atom 57 x 8.54984512486879 1 settings made for x set atom $i y ${y0} set atom 57 y ${y0} set atom 57 y 3.69442252679001 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 65 variable x0 equal ${xi} variable x0 equal 2.16303541103708 variable y0 equal ${yi} variable y0 equal 5.55003341381746 set atom $i x ${xnew} set atom 65 x ${xnew} set atom 65 x 2.06573429743158 1 settings made for x set atom $i y ${ynew} set atom 65 y ${ynew} set atom 65 y 5.53099694197374 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2908 -2.9871562 -2.7477588 -2.6961529 2909 -2.9871562 -2.7477588 -2.7131946 Loop time of 7.79629e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 65 x ${x0} set atom 65 x 2.16303541103708 1 settings made for x set atom $i y ${y0} set atom 65 y ${y0} set atom 65 y 5.55003341381746 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.65179307659102 variable y0 equal ${yi} variable y0 equal 2.85066882344583 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.69691460330916 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 2.82776889773706 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2909 -2.9871562 -2.7477588 -2.7131946 2910 -2.9871562 -2.7477588 -2.7439953 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 26 x ${x0} set atom 26 x 2.65179307659102 1 settings made for x set atom $i y ${y0} set atom 26 y ${y0} set atom 26 y 2.85066882344583 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 87 variable x0 equal ${xi} variable x0 equal 3.26613374709645 variable y0 equal ${yi} variable y0 equal 7.43164389457965 set atom $i x ${xnew} set atom 87 x ${xnew} set atom 87 x 3.21757472514668 1 settings made for x set atom $i y ${ynew} set atom 87 y ${ynew} set atom 87 y 7.34494263258243 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2910 -2.9871562 -2.7477588 -2.7439953 2911 -2.9871562 -2.7477588 -2.7300846 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 87 x ${x0} set atom 87 x 3.26613374709645 1 settings made for x set atom $i y ${y0} set atom 87 y ${y0} set atom 87 y 7.43164389457965 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.81670362273342 variable y0 equal ${yi} variable y0 equal 2.85977786752084 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.77867908993847 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.94992699595788 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2911 -2.9871562 -2.7477588 -2.7300846 2912 -2.9871562 -2.7477588 -2.7193088 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.81670362273342 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.85977786752084 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.94641846377841 variable y0 equal ${yi} variable y0 equal 4.67712874764368 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 5.88042734820834 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.60404485815927 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2912 -2.9871562 -2.7477588 -2.7193088 2913 -2.9871562 -2.7477588 -2.7276799 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 5.94641846377841 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.67712874764368 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.8275111011613 variable y0 equal ${yi} variable y0 equal 6.48541394011011 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.7746969393838 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.40185358063211 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2913 -2.9871562 -2.7477588 -2.7276799 2914 -2.9871562 -2.7477588 -2.7232888 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 68 x ${x0} set atom 68 x 3.8275111011613 1 settings made for x set atom $i y ${y0} set atom 68 y ${y0} set atom 68 y 6.48541394011011 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.12605889161282 variable y0 equal ${yi} variable y0 equal 7.46482060280108 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.04262695630246 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.55422830906176 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2914 -2.9871562 -2.7477588 -2.7232888 2915 -2.9871562 -2.7477588 -2.717943 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.12605889161282 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.46482060280108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.1299801353476 variable y0 equal ${yi} variable y0 equal 2.75316406461099 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.1912590507529 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.70935668917993 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2915 -2.9871562 -2.7477588 -2.717943 2916 -2.9871562 -2.7477588 -2.7457745 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.1299801353476 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.75316406461099 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 38 variable x0 equal ${xi} variable x0 equal 9.09958864171057 variable y0 equal ${yi} variable y0 equal 2.75573046180108 set atom $i x ${xnew} set atom 38 x ${xnew} set atom 38 x 9.07846724707632 1 settings made for x set atom $i y ${ynew} set atom 38 y ${ynew} set atom 38 y 2.81085488768914 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2916 -2.9871562 -2.7477588 -2.7457745 2917 -2.9871562 -2.7477588 -2.7416625 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 38 x ${x0} set atom 38 x 9.09958864171057 1 settings made for x set atom $i y ${y0} set atom 38 y ${y0} set atom 38 y 2.75573046180108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.31596373716261 variable y0 equal ${yi} variable y0 equal 1.83819601914949 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.2603498140898 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.89800306937761 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2917 -2.9871562 -2.7477588 -2.7416625 2918 -2.9871562 -2.7477588 -2.724668 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 31 x ${x0} set atom 31 x 5.31596373716261 1 settings made for x set atom $i y ${y0} set atom 31 y ${y0} set atom 31 y 1.83819601914949 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 80 variable x0 equal ${xi} variable x0 equal 10.29028950968 variable y0 equal ${yi} variable y0 equal 6.46599212423793 set atom $i x ${xnew} set atom 80 x ${xnew} set atom 80 x 10.2153160575888 1 settings made for x set atom $i y ${ynew} set atom 80 y ${ynew} set atom 80 y 6.55612825886241 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2918 -2.9871562 -2.7477588 -2.724668 2919 -2.9871562 -2.7477588 -2.7256837 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 80 x ${x0} set atom 80 x 10.29028950968 1 settings made for x set atom $i y ${y0} set atom 80 y ${y0} set atom 80 y 6.46599212423793 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.59001860499163 variable y0 equal ${yi} variable y0 equal 4.68076303357049 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.60919670939226 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.7568897878544 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2919 -2.9871562 -2.7477588 -2.7256837 2920 -2.9871562 -2.7477588 -2.7174376 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.59001860499163 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.68076303357049 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 99 variable x0 equal ${xi} variable x0 equal 9.7112571763861 variable y0 equal ${yi} variable y0 equal 7.38156818475986 set atom $i x ${xnew} set atom 99 x ${xnew} set atom 99 x 9.77421498774169 1 settings made for x set atom $i y ${ynew} set atom 99 y ${ynew} set atom 99 y 7.4674665483501 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2920 -2.9871562 -2.7477588 -2.7174376 2921 -2.9871562 -2.7477588 -2.7164332 Loop time of 3.57628e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 99 x ${x0} set atom 99 x 9.7112571763861 1 settings made for x set atom $i y ${y0} set atom 99 y ${y0} set atom 99 y 7.38156818475986 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 83 variable x0 equal ${xi} variable x0 equal 1.12605889161282 variable y0 equal ${yi} variable y0 equal 7.46482060280108 set atom $i x ${xnew} set atom 83 x ${xnew} set atom 83 x 1.2091362746542 1 settings made for x set atom $i y ${ynew} set atom 83 y ${ynew} set atom 83 y 7.46544181432986 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2921 -2.9871562 -2.7477588 -2.7164332 2922 -2.9871562 -2.7477588 -2.7256726 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 83 x ${x0} set atom 83 x 1.12605889161282 1 settings made for x set atom $i y ${y0} set atom 83 y ${y0} set atom 83 y 7.46482060280108 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 55 variable x0 equal ${xi} variable x0 equal 7.53527552921544 variable y0 equal ${yi} variable y0 equal 3.71127284331453 set atom $i x ${xnew} set atom 55 x ${xnew} set atom 55 x 7.47175482351552 1 settings made for x set atom $i y ${ynew} set atom 55 y ${ynew} set atom 55 y 3.66475013060701 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2922 -2.9871562 -2.7477588 -2.7256726 2923 -2.9871562 -2.7477588 -2.7290379 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 55 x ${x0} set atom 55 x 7.53527552921544 1 settings made for x set atom $i y ${y0} set atom 55 y ${y0} set atom 55 y 3.71127284331453 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 1 variable x0 equal ${xi} variable x0 equal 10.619244964903 variable y0 equal ${yi} variable y0 equal 9.30595166194766 set atom $i x ${xnew} set atom 1 x ${xnew} set atom 1 x 10.6525439341718 1 settings made for x set atom $i y ${ynew} set atom 1 y ${ynew} set atom 1 y 9.31428907621234 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2923 -2.9871562 -2.7477588 -2.7290379 2924 -2.9871562 -2.7477588 -2.750775 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.75077496461446 variable naccept equal ${increment} variable naccept equal 482 next iter jump SELF loop variable i equal ${irandom} variable i equal 29 variable x0 equal ${xi} variable x0 equal 4.26957070906373 variable y0 equal ${yi} variable y0 equal 1.93462480685777 set atom $i x ${xnew} set atom 29 x ${xnew} set atom 29 x 4.21087946970674 1 settings made for x set atom $i y ${ynew} set atom 29 y ${ynew} set atom 29 y 1.90441664836473 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2924 -2.9871562 -2.750775 -2.750775 2925 -2.9871562 -2.750775 -2.7380846 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 29 x ${x0} set atom 29 x 4.26957070906373 1 settings made for x set atom $i y ${y0} set atom 29 y ${y0} set atom 29 y 1.93462480685777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.81670362273342 variable y0 equal ${yi} variable y0 equal 2.85977786752084 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.78851652661449 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.84074224206308 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2925 -2.9871562 -2.750775 -2.7380846 2926 -2.9871562 -2.750775 -2.7527209 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.75272091727002 variable naccept equal ${increment} variable naccept equal 483 next iter jump SELF loop variable i equal ${irandom} variable i equal 87 variable x0 equal ${xi} variable x0 equal 3.26613374709645 variable y0 equal ${yi} variable y0 equal 7.43164389457965 set atom $i x ${xnew} set atom 87 x ${xnew} set atom 87 x 3.1811347460703 1 settings made for x set atom $i y ${ynew} set atom 87 y ${ynew} set atom 87 y 7.48603480186725 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2926 -2.9871562 -2.7527209 -2.7527209 2927 -2.9871562 -2.7527209 -2.7357499 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 87 x ${x0} set atom 87 x 3.26613374709645 1 settings made for x set atom $i y ${y0} set atom 87 y ${y0} set atom 87 y 7.43164389457965 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.00678724327727 variable y0 equal ${yi} variable y0 equal 4.66030267828866 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 7.00183905640288 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.72504966610833 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2927 -2.9871562 -2.7527209 -2.7357499 2928 -2.9871562 -2.7527209 -2.7375193 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.00678724327727 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.66030267828866 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.98599239308387 variable y0 equal ${yi} variable y0 equal 0.925951715219346 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 9.04312014300376 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 1.00520852397713 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2928 -2.9871562 -2.7527209 -2.7375193 2929 -2.9871562 -2.7527209 -2.7387441 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 8.98599239308387 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.925951715219346 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 87 variable x0 equal ${xi} variable x0 equal 3.26613374709645 variable y0 equal ${yi} variable y0 equal 7.43164389457965 set atom $i x ${xnew} set atom 87 x ${xnew} set atom 87 x 3.25118179082432 1 settings made for x set atom $i y ${ynew} set atom 87 y ${ynew} set atom 87 y 7.52136857834125 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2929 -2.9871562 -2.7527209 -2.7387441 2930 -2.9871562 -2.7527209 -2.7402144 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 87 x ${x0} set atom 87 x 3.26613374709645 1 settings made for x set atom $i y ${y0} set atom 87 y ${y0} set atom 87 y 7.43164389457965 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 25 variable x0 equal ${xi} variable x0 equal 2.16921079794274 variable y0 equal ${yi} variable y0 equal 1.86157575032777 set atom $i x ${xnew} set atom 25 x ${xnew} set atom 25 x 2.19794365803109 1 settings made for x set atom $i y ${ynew} set atom 25 y ${ynew} set atom 25 y 1.8117689766652 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2930 -2.9871562 -2.7527209 -2.7402144 2931 -2.9871562 -2.7527209 -2.7443636 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 25 x ${x0} set atom 25 x 2.16921079794274 1 settings made for x set atom $i y ${y0} set atom 25 y ${y0} set atom 25 y 1.86157575032777 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 71 variable x0 equal ${xi} variable x0 equal 5.41745940843489 variable y0 equal ${yi} variable y0 equal 5.54884942715364 set atom $i x ${xnew} set atom 71 x ${xnew} set atom 71 x 5.38263498941328 1 settings made for x set atom $i y ${ynew} set atom 71 y ${ynew} set atom 71 y 5.47153434698778 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2931 -2.9871562 -2.7527209 -2.7443636 2932 -2.9871562 -2.7527209 -2.7267269 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 71 x ${x0} set atom 71 x 5.41745940843489 1 settings made for x set atom $i y ${y0} set atom 71 y ${y0} set atom 71 y 5.54884942715364 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.1717276934643 variable y0 equal ${yi} variable y0 equal 0.945514078843921 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.0902509097119 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 1.00877742360863 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2932 -2.9871562 -2.7527209 -2.7267269 2933 -2.9871562 -2.7527209 -2.7303785 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 20 x ${x0} set atom 20 x 10.1717276934643 1 settings made for x set atom $i y ${y0} set atom 20 y ${y0} set atom 20 y 0.945514078843921 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 33 variable x0 equal ${xi} variable x0 equal 6.35099447487909 variable y0 equal ${yi} variable y0 equal 1.92307773015564 set atom $i x ${xnew} set atom 33 x ${xnew} set atom 33 x 6.31178133009988 1 settings made for x set atom $i y ${ynew} set atom 33 y ${ynew} set atom 33 y 1.99272128722733 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2933 -2.9871562 -2.7527209 -2.7303785 2934 -2.9871562 -2.7527209 -2.6848407 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 33 x ${x0} set atom 33 x 6.35099447487909 1 settings made for x set atom $i y ${y0} set atom 33 y ${y0} set atom 33 y 1.92307773015564 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 81 variable x0 equal ${xi} variable x0 equal 0.0322040319442937 variable y0 equal ${yi} variable y0 equal 7.38692112293505 set atom $i x ${xnew} set atom 81 x ${xnew} set atom 81 x 0.0255066394806096 1 settings made for x set atom $i y ${ynew} set atom 81 y ${ynew} set atom 81 y 7.29598323431277 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2934 -2.9871562 -2.7527209 -2.6848407 2935 -2.9871562 -2.7527209 -2.7242848 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 81 x ${x0} set atom 81 x 0.0322040319442937 1 settings made for x set atom $i y ${y0} set atom 81 y ${y0} set atom 81 y 7.38692112293505 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 84 variable x0 equal ${xi} variable x0 equal 1.63794375538607 variable y0 equal ${yi} variable y0 equal 8.371298693791 set atom $i x ${xnew} set atom 84 x ${xnew} set atom 84 x 1.59730152964373 1 settings made for x set atom $i y ${ynew} set atom 84 y ${ynew} set atom 84 y 8.36263846077022 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2935 -2.9871562 -2.7527209 -2.7242848 2936 -2.9871562 -2.7527209 -2.7497333 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 84 x ${x0} set atom 84 x 1.63794375538607 1 settings made for x set atom $i y ${y0} set atom 84 y ${y0} set atom 84 y 8.371298693791 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 33 variable x0 equal ${xi} variable x0 equal 6.35099447487909 variable y0 equal ${yi} variable y0 equal 1.92307773015564 set atom $i x ${xnew} set atom 33 x ${xnew} set atom 33 x 6.32385683774072 1 settings made for x set atom $i y ${ynew} set atom 33 y ${ynew} set atom 33 y 1.96152996203964 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2936 -2.9871562 -2.7527209 -2.7497333 2937 -2.9871562 -2.7527209 -2.7242144 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 33 x ${x0} set atom 33 x 6.35099447487909 1 settings made for x set atom $i y ${y0} set atom 33 y ${y0} set atom 33 y 1.92307773015564 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 46 variable x0 equal ${xi} variable x0 equal 2.74000067909193 variable y0 equal ${yi} variable y0 equal 4.67914612645074 set atom $i x ${xnew} set atom 46 x ${xnew} set atom 46 x 2.77856724460554 1 settings made for x set atom $i y ${ynew} set atom 46 y ${ynew} set atom 46 y 4.59579542035028 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2937 -2.9871562 -2.7527209 -2.7242144 2938 -2.9871562 -2.7527209 -2.732258 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 46 x ${x0} set atom 46 x 2.74000067909193 1 settings made for x set atom $i y ${y0} set atom 46 y ${y0} set atom 46 y 4.67914612645074 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.59001860499163 variable y0 equal ${yi} variable y0 equal 4.68076303357049 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.50563201784869 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.75688494795724 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2938 -2.9871562 -2.7527209 -2.732258 2939 -2.9871562 -2.7527209 -2.6958244 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.59001860499163 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.68076303357049 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.36143123308087 variable y0 equal ${yi} variable y0 equal 7.41034705963397 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.32306498685742 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.38850168314242 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2939 -2.9871562 -2.7527209 -2.6958244 2940 -2.9871562 -2.7527209 -2.743933 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.36143123308087 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.41034705963397 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 31 variable x0 equal ${xi} variable x0 equal 5.31596373716261 variable y0 equal ${yi} variable y0 equal 1.83819601914949 set atom $i x ${xnew} set atom 31 x ${xnew} set atom 31 x 5.41161779561903 1 settings made for x set atom $i y ${ynew} set atom 31 y ${ynew} set atom 31 y 1.75763559720583 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2940 -2.9871562 -2.7527209 -2.743933 2941 -2.9871562 -2.7527209 -2.7038197 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 31 x ${x0} set atom 31 x 5.31596373716261 1 settings made for x set atom $i y ${y0} set atom 31 y ${y0} set atom 31 y 1.83819601914949 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 2 variable x0 equal ${xi} variable x0 equal 0.525174053111937 variable y0 equal ${yi} variable y0 equal 0.894475575197066 set atom $i x ${xnew} set atom 2 x ${xnew} set atom 2 x 0.458530326286223 1 settings made for x set atom $i y ${ynew} set atom 2 y ${ynew} set atom 2 y 0.958068867433394 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2941 -2.9871562 -2.7527209 -2.7038197 2942 -2.9871562 -2.7527209 -2.7441151 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 2 x ${x0} set atom 2 x 0.525174053111937 1 settings made for x set atom $i y ${y0} set atom 2 y ${y0} set atom 2 y 0.894475575197066 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 39 variable x0 equal ${xi} variable x0 equal 9.58521930454847 variable y0 equal ${yi} variable y0 equal 1.81828533790177 set atom $i x ${xnew} set atom 39 x ${xnew} set atom 39 x 9.59200809477445 1 settings made for x set atom $i y ${ynew} set atom 39 y ${ynew} set atom 39 y 1.90111651799744 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2942 -2.9871562 -2.7527209 -2.7441151 2943 -2.9871562 -2.7527209 -2.7367799 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 39 x ${x0} set atom 39 x 9.58521930454847 1 settings made for x set atom $i y ${y0} set atom 39 y ${y0} set atom 39 y 1.81828533790177 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 9 variable x0 equal ${xi} variable x0 equal 4.27178276856155 variable y0 equal ${yi} variable y0 equal 0.00600513219834582 set atom $i x ${xnew} set atom 9 x ${xnew} set atom 9 x 4.26799798090667 1 settings made for x set atom $i y ${ynew} set atom 9 y ${ynew} set atom 9 y 0.0409893155098082 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2943 -2.9871562 -2.7527209 -2.7367799 2944 -2.9871562 -2.7527209 -2.7532874 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.75328735057519 variable naccept equal ${increment} variable naccept equal 484 next iter jump SELF loop variable i equal ${irandom} variable i equal 26 variable x0 equal ${xi} variable x0 equal 2.65179307659102 variable y0 equal ${yi} variable y0 equal 2.85066882344583 set atom $i x ${xnew} set atom 26 x ${xnew} set atom 26 x 2.59091410835219 1 settings made for x set atom $i y ${ynew} set atom 26 y ${ynew} set atom 26 y 2.89956985684732 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2944 -2.9871562 -2.7532874 -2.7532874 2945 -2.9871562 -2.7532874 -2.7290834 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 26 x ${x0} set atom 26 x 2.65179307659102 1 settings made for x set atom $i y ${y0} set atom 26 y ${y0} set atom 26 y 2.85066882344583 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 40 variable x0 equal ${xi} variable x0 equal 10.1299801353476 variable y0 equal ${yi} variable y0 equal 2.75316406461099 set atom $i x ${xnew} set atom 40 x ${xnew} set atom 40 x 10.0800767544768 1 settings made for x set atom $i y ${ynew} set atom 40 y ${ynew} set atom 40 y 2.7512019273887 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2945 -2.9871562 -2.7532874 -2.7290834 2946 -2.9871562 -2.7532874 -2.7405972 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 40 x ${x0} set atom 40 x 10.1299801353476 1 settings made for x set atom $i y ${y0} set atom 40 y ${y0} set atom 40 y 2.75316406461099 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.8275111011613 variable y0 equal ${yi} variable y0 equal 6.48541394011011 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.77694305697566 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.56693319813242 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2946 -2.9871562 -2.7532874 -2.7405972 2947 -2.9871562 -2.7532874 -2.7333085 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 68 x ${x0} set atom 68 x 3.8275111011613 1 settings made for x set atom $i y ${y0} set atom 68 y ${y0} set atom 68 y 6.48541394011011 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 42 variable x0 equal ${xi} variable x0 equal 0.500509889522458 variable y0 equal ${yi} variable y0 equal 4.59161240214273 set atom $i x ${xnew} set atom 42 x ${xnew} set atom 42 x 0.532693059841062 1 settings made for x set atom $i y ${ynew} set atom 42 y ${ynew} set atom 42 y 4.49708325022623 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2947 -2.9871562 -2.7532874 -2.7333085 2948 -2.9871562 -2.7532874 -2.7324211 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 42 x ${x0} set atom 42 x 0.500509889522458 1 settings made for x set atom $i y ${y0} set atom 42 y ${y0} set atom 42 y 4.59161240214273 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 20 variable x0 equal ${xi} variable x0 equal 10.1717276934643 variable y0 equal ${yi} variable y0 equal 0.945514078843921 set atom $i x ${xnew} set atom 20 x ${xnew} set atom 20 x 10.1590479616184 1 settings made for x set atom $i y ${ynew} set atom 20 y ${ynew} set atom 20 y 0.990723379361957 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2948 -2.9871562 -2.7532874 -2.7324211 2949 -2.9871562 -2.7532874 -2.7486006 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 20 x ${x0} set atom 20 x 10.1717276934643 1 settings made for x set atom $i y ${y0} set atom 20 y ${y0} set atom 20 y 0.945514078843921 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 52 variable x0 equal ${xi} variable x0 equal 5.94641846377841 variable y0 equal ${yi} variable y0 equal 4.67712874764368 set atom $i x ${xnew} set atom 52 x ${xnew} set atom 52 x 6.01490493972293 1 settings made for x set atom $i y ${ynew} set atom 52 y ${ynew} set atom 52 y 4.68249245041773 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2949 -2.9871562 -2.7532874 -2.7486006 2950 -2.9871562 -2.7532874 -2.7433232 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 52 x ${x0} set atom 52 x 5.94641846377841 1 settings made for x set atom $i y ${y0} set atom 52 y ${y0} set atom 52 y 4.67712874764368 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.15111655909569 variable y0 equal ${yi} variable y0 equal 6.52915453449718 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 9.25104720313103 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.55393446222774 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2950 -2.9871562 -2.7532874 -2.7433232 2951 -2.9871562 -2.7532874 -2.7232783 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 78 x ${x0} set atom 78 x 9.15111655909569 1 settings made for x set atom $i y ${y0} set atom 78 y ${y0} set atom 78 y 6.52915453449718 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 92 variable x0 equal ${xi} variable x0 equal 5.87285548408023 variable y0 equal ${yi} variable y0 equal 8.36937119878825 set atom $i x ${xnew} set atom 92 x ${xnew} set atom 92 x 5.78111954886905 1 settings made for x set atom $i y ${ynew} set atom 92 y ${ynew} set atom 92 y 8.35275536693629 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2951 -2.9871562 -2.7532874 -2.7232783 2952 -2.9871562 -2.7532874 -2.7259218 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 92 x ${x0} set atom 92 x 5.87285548408023 1 settings made for x set atom $i y ${y0} set atom 92 y ${y0} set atom 92 y 8.36937119878825 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 3 variable x0 equal ${xi} variable x0 equal 1.02897904236965 variable y0 equal ${yi} variable y0 equal 9.27259716499179 set atom $i x ${xnew} set atom 3 x ${xnew} set atom 3 x 0.968074348766135 1 settings made for x set atom $i y ${ynew} set atom 3 y ${ynew} set atom 3 y 9.32795874584048 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2952 -2.9871562 -2.7532874 -2.7259218 2953 -2.9871562 -2.7532874 -2.7397501 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 3 x ${x0} set atom 3 x 1.02897904236965 1 settings made for x set atom $i y ${y0} set atom 3 y ${y0} set atom 3 y 9.27259716499179 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.35691284020158 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.47275000755984 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2953 -2.9871562 -2.7532874 -2.7397501 2954 -2.9871562 -2.7532874 -2.7433342 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 27 variable x0 equal ${xi} variable x0 equal 3.2013416862444 variable y0 equal ${yi} variable y0 equal 1.98039417645997 set atom $i x ${xnew} set atom 27 x ${xnew} set atom 27 x 3.28021324634114 1 settings made for x set atom $i y ${ynew} set atom 27 y ${ynew} set atom 27 y 1.96893048665589 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2954 -2.9871562 -2.7532874 -2.7433342 2955 -2.9871562 -2.7532874 -2.7385157 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 27 x ${x0} set atom 27 x 3.2013416862444 1 settings made for x set atom $i y ${y0} set atom 27 y ${y0} set atom 27 y 1.98039417645997 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 68 variable x0 equal ${xi} variable x0 equal 3.8275111011613 variable y0 equal ${yi} variable y0 equal 6.48541394011011 set atom $i x ${xnew} set atom 68 x ${xnew} set atom 68 x 3.76331955710536 1 settings made for x set atom $i y ${ynew} set atom 68 y ${ynew} set atom 68 y 6.44811980263224 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2955 -2.9871562 -2.7532874 -2.7385157 2956 -2.9871562 -2.7532874 -2.7411746 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 68 x ${x0} set atom 68 x 3.8275111011613 1 settings made for x set atom $i y ${y0} set atom 68 y ${y0} set atom 68 y 6.48541394011011 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 62 variable x0 equal ${xi} variable x0 equal 0.647362239757444 variable y0 equal ${yi} variable y0 equal 6.49172300831308 set atom $i x ${xnew} set atom 62 x ${xnew} set atom 62 x 0.622266717353727 1 settings made for x set atom $i y ${ynew} set atom 62 y ${ynew} set atom 62 y 6.56202939287653 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2956 -2.9871562 -2.7532874 -2.7411746 2957 -2.9871562 -2.7532874 -2.7500994 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 62 x ${x0} set atom 62 x 0.647362239757444 1 settings made for x set atom $i y ${y0} set atom 62 y ${y0} set atom 62 y 6.49172300831308 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 57 variable x0 equal ${xi} variable x0 equal 8.54984512486879 variable y0 equal ${yi} variable y0 equal 3.69442252679001 set atom $i x ${xnew} set atom 57 x ${xnew} set atom 57 x 8.56829549231951 1 settings made for x set atom $i y ${ynew} set atom 57 y ${ynew} set atom 57 y 3.67476536793839 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2957 -2.9871562 -2.7532874 -2.7500994 2958 -2.9871562 -2.7532874 -2.7539438 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.75394382620027 variable naccept equal ${increment} variable naccept equal 485 next iter jump SELF loop variable i equal ${irandom} variable i equal 16 variable x0 equal ${xi} variable x0 equal 7.95025718807079 variable y0 equal ${yi} variable y0 equal 0.949378951299518 set atom $i x ${xnew} set atom 16 x ${xnew} set atom 16 x 8.01037481426098 1 settings made for x set atom $i y ${ynew} set atom 16 y ${ynew} set atom 16 y 0.937795325029224 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2958 -2.9871562 -2.7539438 -2.7539438 2959 -2.9871562 -2.7539438 -2.7424425 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 16 x ${x0} set atom 16 x 7.95025718807079 1 settings made for x set atom $i y ${y0} set atom 16 y ${y0} set atom 16 y 0.949378951299518 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.13902074734077 variable y0 equal ${yi} variable y0 equal 9.29444277990191 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 2.15100954214439 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y 9.2236336778435 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2959 -2.9871562 -2.7539438 -2.7424425 2960 -2.9871562 -2.7539438 -2.7400005 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 2.13902074734077 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 9.29444277990191 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 91 variable x0 equal ${xi} variable x0 equal 5.36143123308087 variable y0 equal ${yi} variable y0 equal 7.41034705963397 set atom $i x ${xnew} set atom 91 x ${xnew} set atom 91 x 5.36507325569058 1 settings made for x set atom $i y ${ynew} set atom 91 y ${ynew} set atom 91 y 7.31913150873446 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2960 -2.9871562 -2.7539438 -2.7400005 2961 -2.9871562 -2.7539438 -2.7391325 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 91 x ${x0} set atom 91 x 5.36143123308087 1 settings made for x set atom $i y ${y0} set atom 91 y ${y0} set atom 91 y 7.41034705963397 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 44 variable x0 equal ${xi} variable x0 equal 1.59001860499163 variable y0 equal ${yi} variable y0 equal 4.68076303357049 set atom $i x ${xnew} set atom 44 x ${xnew} set atom 44 x 1.63138304829378 1 settings made for x set atom $i y ${ynew} set atom 44 y ${ynew} set atom 44 y 4.6209767853634 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2961 -2.9871562 -2.7539438 -2.7391325 2962 -2.9871562 -2.7539438 -2.753053 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 44 x ${x0} set atom 44 x 1.59001860499163 1 settings made for x set atom $i y ${y0} set atom 44 y ${y0} set atom 44 y 4.68076303357049 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.88060106316253 variable y0 equal ${yi} variable y0 equal 0.960105260122139 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.82137906828567 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 0.934996505487282 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2962 -2.9871562 -2.7539438 -2.753053 2963 -2.9871562 -2.7539438 -2.7402008 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.88060106316253 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 0.960105260122139 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.88060106316253 variable y0 equal ${yi} variable y0 equal 0.960105260122139 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.82064826765701 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 0.953040440786202 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2963 -2.9871562 -2.7539438 -2.7402008 2964 -2.9871562 -2.7539438 -2.74123 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.88060106316253 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 0.960105260122139 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 32 variable x0 equal ${xi} variable x0 equal 5.92034897763721 variable y0 equal ${yi} variable y0 equal 2.80042437287667 set atom $i x ${xnew} set atom 32 x ${xnew} set atom 32 x 5.84993776042453 1 settings made for x set atom $i y ${ynew} set atom 32 y ${ynew} set atom 32 y 2.87789943190911 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2964 -2.9871562 -2.7539438 -2.74123 2965 -2.9871562 -2.7539438 -2.7109534 Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms 2496.6% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 32 x ${x0} set atom 32 x 5.92034897763721 1 settings made for x set atom $i y ${y0} set atom 32 y ${y0} set atom 32 y 2.80042437287667 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 28 variable x0 equal ${xi} variable x0 equal 3.78851652661449 variable y0 equal ${yi} variable y0 equal 2.84074224206308 set atom $i x ${xnew} set atom 28 x ${xnew} set atom 28 x 3.84578108111507 1 settings made for x set atom $i y ${ynew} set atom 28 y ${ynew} set atom 28 y 2.91428672047952 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2965 -2.9871562 -2.7539438 -2.7109534 2966 -2.9871562 -2.7539438 -2.7356723 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 28 x ${x0} set atom 28 x 3.78851652661449 1 settings made for x set atom $i y ${y0} set atom 28 y ${y0} set atom 28 y 2.84074224206308 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 74 variable x0 equal ${xi} variable x0 equal 7.04742242375061 variable y0 equal ${yi} variable y0 equal 6.46128811375131 set atom $i x ${xnew} set atom 74 x ${xnew} set atom 74 x 6.96673145571396 1 settings made for x set atom $i y ${ynew} set atom 74 y ${ynew} set atom 74 y 6.3965297056817 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2966 -2.9871562 -2.7539438 -2.7356723 2967 -2.9871562 -2.7539438 -2.7192316 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 74 x ${x0} set atom 74 x 7.04742242375061 1 settings made for x set atom $i y ${y0} set atom 74 y ${y0} set atom 74 y 6.46128811375131 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 79 variable x0 equal ${xi} variable x0 equal 9.66362923859236 variable y0 equal ${yi} variable y0 equal 5.65359488671022 set atom $i x ${xnew} set atom 79 x ${xnew} set atom 79 x 9.58907666681883 1 settings made for x set atom $i y ${ynew} set atom 79 y ${ynew} set atom 79 y 5.62402175610262 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2967 -2.9871562 -2.7539438 -2.7192316 2968 -2.9871562 -2.7539438 -2.7442611 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 79 x ${x0} set atom 79 x 9.66362923859236 1 settings made for x set atom $i y ${y0} set atom 79 y ${y0} set atom 79 y 5.65359488671022 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 75 variable x0 equal ${xi} variable x0 equal 7.52148601848851 variable y0 equal ${yi} variable y0 equal 5.57813051884371 set atom $i x ${xnew} set atom 75 x ${xnew} set atom 75 x 7.59163548786412 1 settings made for x set atom $i y ${ynew} set atom 75 y ${ynew} set atom 75 y 5.53327572291094 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2968 -2.9871562 -2.7539438 -2.7442611 2969 -2.9871562 -2.7539438 -2.7512734 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 75 x ${x0} set atom 75 x 7.52148601848851 1 settings made for x set atom $i y ${y0} set atom 75 y ${y0} set atom 75 y 5.57813051884371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 67 variable x0 equal ${xi} variable x0 equal 3.29802477120916 variable y0 equal ${yi} variable y0 equal 5.57190024798112 set atom $i x ${xnew} set atom 67 x ${xnew} set atom 67 x 3.27479552983801 1 settings made for x set atom $i y ${ynew} set atom 67 y ${ynew} set atom 67 y 5.48164402191835 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2969 -2.9871562 -2.7539438 -2.7512734 2970 -2.9871562 -2.7539438 -2.7289203 Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms 2494.1% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 67 x ${x0} set atom 67 x 3.29802477120916 1 settings made for x set atom $i y ${y0} set atom 67 y ${y0} set atom 67 y 5.57190024798112 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.47742998122294 variable y0 equal ${yi} variable y0 equal 3.76617543263566 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.53793140172083 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.79768858714234 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2970 -2.9871562 -2.7539438 -2.7289203 2971 -2.9871562 -2.7539438 -2.7361349 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 53 x ${x0} set atom 53 x 6.47742998122294 1 settings made for x set atom $i y ${y0} set atom 53 y ${y0} set atom 53 y 3.76617543263566 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 42 variable x0 equal ${xi} variable x0 equal 0.500509889522458 variable y0 equal ${yi} variable y0 equal 4.59161240214273 set atom $i x ${xnew} set atom 42 x ${xnew} set atom 42 x 0.469954164424802 1 settings made for x set atom $i y ${ynew} set atom 42 y ${ynew} set atom 42 y 4.53737027996942 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2971 -2.9871562 -2.7539438 -2.7361349 2972 -2.9871562 -2.7539438 -2.7431142 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 42 x ${x0} set atom 42 x 0.500509889522458 1 settings made for x set atom $i y ${y0} set atom 42 y ${y0} set atom 42 y 4.59161240214273 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 36 variable x0 equal ${xi} variable x0 equal 8.06178798078395 variable y0 equal ${yi} variable y0 equal 2.74185490580896 set atom $i x ${xnew} set atom 36 x ${xnew} set atom 36 x 8.10974392293788 1 settings made for x set atom $i y ${ynew} set atom 36 y ${ynew} set atom 36 y 2.8185374734054 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2972 -2.9871562 -2.7539438 -2.7431142 2973 -2.9871562 -2.7539438 -2.7329769 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 36 x ${x0} set atom 36 x 8.06178798078395 1 settings made for x set atom $i y ${y0} set atom 36 y ${y0} set atom 36 y 2.74185490580896 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 85 variable x0 equal ${xi} variable x0 equal 2.18122052589761 variable y0 equal ${yi} variable y0 equal 7.43532284822726 set atom $i x ${xnew} set atom 85 x ${xnew} set atom 85 x 2.11909139791833 1 settings made for x set atom $i y ${ynew} set atom 85 y ${ynew} set atom 85 y 7.41292558040881 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2973 -2.9871562 -2.7539438 -2.7329769 2974 -2.9871562 -2.7539438 -2.7424018 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 85 x ${x0} set atom 85 x 2.18122052589761 1 settings made for x set atom $i y ${y0} set atom 85 y ${y0} set atom 85 y 7.43532284822726 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 17 variable x0 equal ${xi} variable x0 equal 8.56200896659319 variable y0 equal ${yi} variable y0 equal 9.2929022978577 set atom $i x ${xnew} set atom 17 x ${xnew} set atom 17 x 8.49557646670763 1 settings made for x set atom $i y ${ynew} set atom 17 y ${ynew} set atom 17 y 9.22478402364582 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2974 -2.9871562 -2.7539438 -2.7424018 2975 -2.9871562 -2.7539438 -2.7431917 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 17 x ${x0} set atom 17 x 8.56200896659319 1 settings made for x set atom $i y ${y0} set atom 17 y ${y0} set atom 17 y 9.2929022978577 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 75 variable x0 equal ${xi} variable x0 equal 7.52148601848851 variable y0 equal ${yi} variable y0 equal 5.57813051884371 set atom $i x ${xnew} set atom 75 x ${xnew} set atom 75 x 7.46393394310246 1 settings made for x set atom $i y ${ynew} set atom 75 y ${ynew} set atom 75 y 5.49718704168993 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2975 -2.9871562 -2.7539438 -2.7431917 2976 -2.9871562 -2.7539438 -2.7220106 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 75 x ${x0} set atom 75 x 7.52148601848851 1 settings made for x set atom $i y ${y0} set atom 75 y ${y0} set atom 75 y 5.57813051884371 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 53 variable x0 equal ${xi} variable x0 equal 6.47742998122294 variable y0 equal ${yi} variable y0 equal 3.76617543263566 set atom $i x ${xnew} set atom 53 x ${xnew} set atom 53 x 6.44860480546076 1 settings made for x set atom $i y ${ynew} set atom 53 y ${ynew} set atom 53 y 3.7287059978975 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2976 -2.9871562 -2.7539438 -2.7220106 2977 -2.9871562 -2.7539438 -2.75362 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.75362003368566 variable naccept equal ${increment} variable naccept equal 486 next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.29407903034898 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.47957183067996 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2977 -2.9871562 -2.75362 -2.75362 2978 -2.9871562 -2.75362 -2.7305275 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 24 variable x0 equal ${xi} variable x0 equal 1.59829139590045 variable y0 equal ${yi} variable y0 equal 2.77385951253275 set atom $i x ${xnew} set atom 24 x ${xnew} set atom 24 x 1.65979388832828 1 settings made for x set atom $i y ${ynew} set atom 24 y ${ynew} set atom 24 y 2.72343895408014 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2978 -2.9871562 -2.75362 -2.7305275 2979 -2.9871562 -2.75362 -2.7393582 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 24 x ${x0} set atom 24 x 1.59829139590045 1 settings made for x set atom $i y ${y0} set atom 24 y ${y0} set atom 24 y 2.77385951253275 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 63 variable x0 equal ${xi} variable x0 equal 1.09178573210888 variable y0 equal ${yi} variable y0 equal 5.57776011173921 set atom $i x ${xnew} set atom 63 x ${xnew} set atom 63 x 1.06548571904354 1 settings made for x set atom $i y ${ynew} set atom 63 y ${ynew} set atom 63 y 5.66596307699876 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2979 -2.9871562 -2.75362 -2.7393582 2980 -2.9871562 -2.75362 -2.7117182 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 63 x ${x0} set atom 63 x 1.09178573210888 1 settings made for x set atom $i y ${y0} set atom 63 y ${y0} set atom 63 y 5.57776011173921 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 18 variable x0 equal ${xi} variable x0 equal 8.98599239308387 variable y0 equal ${yi} variable y0 equal 0.925951715219346 set atom $i x ${xnew} set atom 18 x ${xnew} set atom 18 x 9.01515912730247 1 settings made for x set atom $i y ${ynew} set atom 18 y ${ynew} set atom 18 y 0.887745292890397 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2980 -2.9871562 -2.75362 -2.7117182 2981 -2.9871562 -2.75362 -2.7510569 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 18 x ${x0} set atom 18 x 8.98599239308387 1 settings made for x set atom $i y ${y0} set atom 18 y ${y0} set atom 18 y 0.925951715219346 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 36 variable x0 equal ${xi} variable x0 equal 8.06178798078395 variable y0 equal ${yi} variable y0 equal 2.74185490580896 set atom $i x ${xnew} set atom 36 x ${xnew} set atom 36 x 8.13581071494914 1 settings made for x set atom $i y ${ynew} set atom 36 y ${ynew} set atom 36 y 2.76795037957529 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2981 -2.9871562 -2.75362 -2.7510569 2982 -2.9871562 -2.75362 -2.7268467 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 36 x ${x0} set atom 36 x 8.06178798078395 1 settings made for x set atom $i y ${y0} set atom 36 y ${y0} set atom 36 y 2.74185490580896 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 49 variable x0 equal ${xi} variable x0 equal 4.37311956961365 variable y0 equal ${yi} variable y0 equal 3.73546738190782 set atom $i x ${xnew} set atom 49 x ${xnew} set atom 49 x 4.39594184239121 1 settings made for x set atom $i y ${ynew} set atom 49 y ${ynew} set atom 49 y 3.77885702414644 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2982 -2.9871562 -2.75362 -2.7268467 2983 -2.9871562 -2.75362 -2.7410922 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 49 x ${x0} set atom 49 x 4.37311956961365 1 settings made for x set atom $i y ${y0} set atom 49 y ${y0} set atom 49 y 3.73546738190782 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 79 variable x0 equal ${xi} variable x0 equal 9.66362923859236 variable y0 equal ${yi} variable y0 equal 5.65359488671022 set atom $i x ${xnew} set atom 79 x ${xnew} set atom 79 x 9.71431942461607 1 settings made for x set atom $i y ${ynew} set atom 79 y ${ynew} set atom 79 y 5.60496181194978 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2983 -2.9871562 -2.75362 -2.7410922 2984 -2.9871562 -2.75362 -2.7550702 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.7550701509038 variable naccept equal ${increment} variable naccept equal 487 next iter jump SELF loop variable i equal ${irandom} variable i equal 42 variable x0 equal ${xi} variable x0 equal 0.500509889522458 variable y0 equal ${yi} variable y0 equal 4.59161240214273 set atom $i x ${xnew} set atom 42 x ${xnew} set atom 42 x 0.546475799480344 1 settings made for x set atom $i y ${ynew} set atom 42 y ${ynew} set atom 42 y 4.62186012619897 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2984 -2.9871562 -2.7550702 -2.7550702 2985 -2.9871562 -2.7550702 -2.7556181 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" variable elast equal $e variable elast equal -2.75561814014617 variable naccept equal ${increment} variable naccept equal 488 next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.82160441517171 variable y0 equal ${yi} variable y0 equal 8.38617150701579 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.90591750978765 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.4184711090475 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2985 -2.9871562 -2.7556181 -2.7556181 2986 -2.9871562 -2.7556181 -2.727834 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.82160441517171 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.38617150701579 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 14 variable x0 equal ${xi} variable x0 equal 6.88060106316253 variable y0 equal ${yi} variable y0 equal 0.960105260122139 set atom $i x ${xnew} set atom 14 x ${xnew} set atom 14 x 6.97161685505553 1 settings made for x set atom $i y ${ynew} set atom 14 y ${ynew} set atom 14 y 1.03950984071525 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2986 -2.9871562 -2.7556181 -2.727834 2987 -2.9871562 -2.7556181 -2.7067347 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 14 x ${x0} set atom 14 x 6.88060106316253 1 settings made for x set atom $i y ${y0} set atom 14 y ${y0} set atom 14 y 0.960105260122139 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 79 variable x0 equal ${xi} variable x0 equal 9.71431942461607 variable y0 equal ${yi} variable y0 equal 5.60496181194978 set atom $i x ${xnew} set atom 79 x ${xnew} set atom 79 x 9.80766351698515 1 settings made for x set atom $i y ${ynew} set atom 79 y ${ynew} set atom 79 y 5.58589920942979 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2987 -2.9871562 -2.7556181 -2.7067347 2988 -2.9871562 -2.7556181 -2.7044395 Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 79 x ${x0} set atom 79 x 9.71431942461607 1 settings made for x set atom $i y ${y0} set atom 79 y ${y0} set atom 79 y 5.60496181194978 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 5 variable x0 equal ${xi} variable x0 equal 2.13902074734077 variable y0 equal ${yi} variable y0 equal 9.29444277990191 set atom $i x ${xnew} set atom 5 x ${xnew} set atom 5 x 2.07677179018363 1 settings made for x set atom $i y ${ynew} set atom 5 y ${ynew} set atom 5 y 9.33462863672106 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2988 -2.9871562 -2.7556181 -2.7044395 2989 -2.9871562 -2.7556181 -2.749715 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 5 x ${x0} set atom 5 x 2.13902074734077 1 settings made for x set atom $i y ${y0} set atom 5 y ${y0} set atom 5 y 9.29444277990191 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.00678724327727 variable y0 equal ${yi} variable y0 equal 4.66030267828866 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 6.92047409096404 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.59831593388482 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2989 -2.9871562 -2.7556181 -2.749715 2990 -2.9871562 -2.7556181 -2.7307015 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.00678724327727 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.66030267828866 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 78 variable x0 equal ${xi} variable x0 equal 9.15111655909569 variable y0 equal ${yi} variable y0 equal 6.52915453449718 set atom $i x ${xnew} set atom 78 x ${xnew} set atom 78 x 9.161557504721 1 settings made for x set atom $i y ${ynew} set atom 78 y ${ynew} set atom 78 y 6.58640019432537 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2990 -2.9871562 -2.7556181 -2.7307015 2991 -2.9871562 -2.7556181 -2.7277542 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 78 x ${x0} set atom 78 x 9.15111655909569 1 settings made for x set atom $i y ${y0} set atom 78 y ${y0} set atom 78 y 6.52915453449718 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 17 variable x0 equal ${xi} variable x0 equal 8.56200896659319 variable y0 equal ${yi} variable y0 equal 9.2929022978577 set atom $i x ${xnew} set atom 17 x ${xnew} set atom 17 x 8.5818393246216 1 settings made for x set atom $i y ${ynew} set atom 17 y ${ynew} set atom 17 y 9.20365908849567 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2991 -2.9871562 -2.7556181 -2.7277542 2992 -2.9871562 -2.7556181 -2.7369239 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 17 x ${x0} set atom 17 x 8.56200896659319 1 settings made for x set atom $i y ${y0} set atom 17 y ${y0} set atom 17 y 9.2929022978577 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 89 variable x0 equal ${xi} variable x0 equal 4.32252682526322 variable y0 equal ${yi} variable y0 equal 7.38917808857226 set atom $i x ${xnew} set atom 89 x ${xnew} set atom 89 x 4.23455171663972 1 settings made for x set atom $i y ${ynew} set atom 89 y ${ynew} set atom 89 y 7.31205942955279 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2992 -2.9871562 -2.7556181 -2.7369239 2993 -2.9871562 -2.7556181 -2.6945056 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 89 x ${x0} set atom 89 x 4.32252682526322 1 settings made for x set atom $i y ${y0} set atom 89 y ${y0} set atom 89 y 7.38917808857226 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 54 variable x0 equal ${xi} variable x0 equal 7.00678724327727 variable y0 equal ${yi} variable y0 equal 4.66030267828866 set atom $i x ${xnew} set atom 54 x ${xnew} set atom 54 x 6.94060414114638 1 settings made for x set atom $i y ${ynew} set atom 54 y ${ynew} set atom 54 y 4.6537990009205 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2993 -2.9871562 -2.7556181 -2.6945056 2994 -2.9871562 -2.7556181 -2.7427968 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 54 x ${x0} set atom 54 x 7.00678724327727 1 settings made for x set atom $i y ${y0} set atom 54 y ${y0} set atom 54 y 4.66030267828866 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 69 variable x0 equal ${xi} variable x0 equal 4.3687668450615 variable y0 equal ${yi} variable y0 equal 5.52732812111575 set atom $i x ${xnew} set atom 69 x ${xnew} set atom 69 x 4.37359725315781 1 settings made for x set atom $i y ${ynew} set atom 69 y ${ynew} set atom 69 y 5.62364107315738 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2994 -2.9871562 -2.7556181 -2.7427968 2995 -2.9871562 -2.7556181 -2.7389461 Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 69 x ${x0} set atom 69 x 4.3687668450615 1 settings made for x set atom $i y ${y0} set atom 69 y ${y0} set atom 69 y 5.52732812111575 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 96 variable x0 equal ${xi} variable x0 equal 8.0514173328767 variable y0 equal ${yi} variable y0 equal 8.32951669611032 set atom $i x ${xnew} set atom 96 x ${xnew} set atom 96 x 8.01479386686184 1 settings made for x set atom $i y ${ynew} set atom 96 y ${ynew} set atom 96 y 8.31813226856286 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2995 -2.9871562 -2.7556181 -2.7389461 2996 -2.9871562 -2.7556181 -2.7502675 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 96 x ${x0} set atom 96 x 8.0514173328767 1 settings made for x set atom $i y ${y0} set atom 96 y ${y0} set atom 96 y 8.32951669611032 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 90 variable x0 equal ${xi} variable x0 equal 4.82160441517171 variable y0 equal ${yi} variable y0 equal 8.38617150701579 set atom $i x ${xnew} set atom 90 x ${xnew} set atom 90 x 4.81215400337514 1 settings made for x set atom $i y ${ynew} set atom 90 y ${ynew} set atom 90 y 8.32506048597392 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2996 -2.9871562 -2.7556181 -2.7502675 2997 -2.9871562 -2.7556181 -2.7546772 Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 90 x ${x0} set atom 90 x 4.82160441517171 1 settings made for x set atom $i y ${y0} set atom 90 y ${y0} set atom 90 y 8.38617150701579 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 66 variable x0 equal ${xi} variable x0 equal 2.75945490796997 variable y0 equal ${yi} variable y0 equal 6.47566335932247 set atom $i x ${xnew} set atom 66 x ${xnew} set atom 66 x 2.74685431917145 1 settings made for x set atom $i y ${ynew} set atom 66 y ${ynew} set atom 66 y 6.4391868664407 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2997 -2.9871562 -2.7556181 -2.7546772 2998 -2.9871562 -2.7556181 -2.752076 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 66 x ${x0} set atom 66 x 2.75945490796997 1 settings made for x set atom $i y ${y0} set atom 66 y ${y0} set atom 66 y 6.47566335932247 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 33 variable x0 equal ${xi} variable x0 equal 6.35099447487909 variable y0 equal ${yi} variable y0 equal 1.92307773015564 set atom $i x ${xnew} set atom 33 x ${xnew} set atom 33 x 6.35649427889902 1 settings made for x set atom $i y ${ynew} set atom 33 y ${ynew} set atom 33 y 2.00491696975296 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2998 -2.9871562 -2.7556181 -2.752076 2999 -2.9871562 -2.7556181 -2.7020375 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 33 x ${x0} set atom 33 x 6.35099447487909 1 settings made for x set atom $i y ${y0} set atom 33 y ${y0} set atom 33 y 1.92307773015564 1 settings made for y next iter jump SELF loop variable i equal ${irandom} variable i equal 97 variable x0 equal ${xi} variable x0 equal 8.63672733464663 variable y0 equal ${yi} variable y0 equal 7.39708643284107 set atom $i x ${xnew} set atom 97 x ${xnew} set atom 97 x 8.68326119342272 1 settings made for x set atom $i y ${ynew} set atom 97 y ${ynew} set atom 97 y 7.36925632086063 1 settings made for y run 1 pre no post no Step v_emin v_elast PotEng 2999 -2.9871562 -2.7556181 -2.7020375 3000 -2.9871562 -2.7556181 -2.7365286 Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}" set atom $i x ${x0} set atom 97 x ${x0} set atom 97 x 8.63672733464663 1 settings made for x set atom $i y ${y0} set atom 97 y ${y0} set atom 97 y 7.39708643284107 1 settings made for y next iter jump SELF loop # final energy and stats variable nb equal nbuild variable nbuild equal ${nb} variable nbuild equal 41 run 0 WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Memory usage per processor = 2.35582 Mbytes Step v_emin v_elast PotEng 3000 -2.9871562 -2.7556181 -2.7556181 Loop time of 9.53674e-07 on 1 procs for 0 steps with 100 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 9.537e-07 | | |100.00 Nlocal: 100 ave 100 max 100 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 147 ave 147 max 147 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 1028 ave 1028 max 1028 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1028 Ave neighs/atom = 10.28 Neighbor list builds = 0 Dangerous builds = 0 print "MC stats:" MC stats: print " starting energy = ${estart}" starting energy = 19.8754304552668 print " final energy = $e" final energy = -2.75561814014616 print " minimum energy of perfect lattice = ${emin}" minimum energy of perfect lattice = -2.98715616447945 print " accepted MC moves = ${naccept}" accepted MC moves = 488 print " neighbor list rebuilds = ${nbuild}" neighbor list rebuilds = 41 Total wall time: 0:00:00