# periodic boundary conditions along all three dimensions
boundary p p p

# Set neighbor skin
variable neigh_skin equal 2.0*${_u_distance}
variable neigh_skin equal 2.0*1
neighbor ${neigh_skin} bin
neighbor 2 bin

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 2.459976688027382*${_u_distance}
variable latticeconst_converted equal 2.459976688027382*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.45997668802738
Lattice spacing in x,y,z = 2.4599767 2.4599767 2.4599767
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0 0 0) to (24.599767 24.599767 24.599767)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 2000 atoms
  using lattice units in orthogonal box = (0 0 0) to (24.599767 24.599767 24.599767)
  create_atoms CPU = 0.000 seconds

variable mass_converted equal 95.94*${_u_mass}
variable mass_converted equal 95.94*1

kim_interactions Mo

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

kim interactions Mo
#=== BEGIN kim interactions ==================================
pair_style kim SW_MX2_KurniawanPetrieWilliams_2021_MoS__MO_677328661525_000
pair_coeff * * Mo
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 95.94

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 14886.5127798101    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 14886.5127798101/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 14886.5127798101/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 14886.5127798101/(1*1*${_u_distance})
variable      V0_metal equal 14886.5127798101/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 14886.5127798101*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 14886.5127798101 Angstroms^3

# set the time step to 0.001 picoseconds
variable timestep_converted equal 0.001*${_u_time}
variable timestep_converted equal 0.001*1
timestep ${timestep_converted}
timestep 0.001

variable temp_converted equal 313.15*${_u_temperature}
variable temp_converted equal 313.15*1
variable Tdamp_converted equal 0.1*${_u_time}
variable Tdamp_converted equal 0.1*1
variable press_converted equal 0.0*${_u_pressure}
variable press_converted equal 0.0*1
variable Pdamp_converted equal 1*${_u_time}
variable Pdamp_converted equal 1*1

# create initial velocities consistent with the chosen temperature
velocity      all create ${temp_converted} 17 mom yes rot yes
velocity      all create 313.15 17 mom yes rot yes

# set NPT ensemble for all atoms
fix           ensemble all npt temp ${temp_converted} ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 0.1               iso 0 0 1

# compute the time averages of pressure, temperature, and volume, respectively
# ignore the first 5000 timesteps
variable      etotal_metal equal etotal/${_u_energy}
variable      etotal_metal equal etotal/1
variable      pe_metal equal pe/${_u_energy}
variable      pe_metal equal pe/1
variable      T_metal equal temp/${_u_temperature}
variable      T_metal equal temp/1
variable      V_metal equal vol/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V_metal equal vol/(1*${_u_distance}*${_u_distance})
variable      V_metal equal vol/(1*1*${_u_distance})
variable      V_metal equal vol/(1*1*1)
variable      P_metal equal press/${_u_pressure}
variable      P_metal equal press/1
fix           avgmyTemp  all ave/time 5 20 100 v_T_metal  ave running start 5000
fix           avgmyPress all ave/time 5 20 100 v_P_metal ave running start 5000
fix           avgmyVol   all ave/time 5 20 100 v_V_metal   ave running start 5000

# extract fix quantities into variables so they can be used in if-else logic later.
variable      T equal f_avgmyTemp
variable      P equal f_avgmyPress
variable      V equal f_avgmyVol

# set error bounds for temperature and pressure in original metal units (K and bar)
variable      T_low equal  "313.15 - 0.2"
variable      T_up  equal  "313.15 + 0.2"
variable      P_low equal  "0.0 - 0.2"
variable      P_up  equal  "0.0 + 0.2"

# print to logfile every 1000 timesteps
thermo_style  custom step etotal v_etotal_metal pe v_pe_metal               temp v_T_metal vol v_V_metal press v_P_metal
thermo        1000

# Run a simulation for at most 2000*1000 timesteps. At each 1000th time step, check
# whether the temperature and pressure have converged. If yes, break.
label top
variable a loop 2000
run 1000

CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE

Your simulation uses code contributions which should be cited:

- OpenKIM: https://doi.org/10.1007/s11837-011-0102-6

@Article{tadmor:elliott:2011,
 author = {E. B. Tadmor and R. S. Elliott and J. P. Sethna and R. E. Miller and C. A. Becker},
 title = {The potential of atomistic simulations and the {K}nowledgebase of {I}nteratomic {M}odels},
 journal = {{JOM}},
 year =    2011,
 volume =  63,
 number =  17,
 pages =   {17},
 doi =     {10.1007/s11837-011-0102-6}
}

- OpenKIM potential: https://openkim.org/cite/MO_677328661525_000#item-citation

CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE

Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.424 | 5.424 | 5.424 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
         0  -25276.786     -25276.786     -25357.701     -25357.701      313.15         313.15         14886.513      14886.513      5805.7473      5805.7473    
      1000  -25196.623     -25196.623     -25277.87      -25277.87       314.43283      314.43283      14950.102      14950.102     -1510.2672     -1510.2672    
Loop time of 97.036 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.890 ns/day, 26.954 hours/ns, 10.305 timesteps/s
44.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 96.854     | 96.854     | 96.854     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.082767   | 0.082767   | 0.082767   |   0.0 |  0.09
Output  | 0.00010058 | 0.00010058 | 0.00010058 |   0.0 |  0.00
Modify  | 0.07907    | 0.07907    | 0.07907    |   0.0 |  0.08
Other   |            | 0.01982    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       516000 ave      516000 max      516000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 516000
Ave neighs/atom = 258
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      1000  -25196.623     -25196.623     -25277.87      -25277.87       314.43283      314.43283      14950.102      14950.102     -1510.2672     -1510.2672    
      2000  -25192.5       -25192.5       -25275.861     -25275.861      322.61707      322.61707      14949.714      14949.714     -555.92317     -555.92317    
Loop time of 82.9591 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.041 ns/day, 23.044 hours/ns, 12.054 timesteps/s
52.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 82.846     | 82.846     | 82.846     |   0.0 | 99.86
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042092   | 0.042092   | 0.042092   |   0.0 |  0.05
Output  | 9.2113e-05 | 9.2113e-05 | 9.2113e-05 |   0.0 |  0.00
Modify  | 0.063615   | 0.063615   | 0.063615   |   0.0 |  0.08
Other   |            | 0.00774    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515926 ave      515926 max      515926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515926
Ave neighs/atom = 257.963
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      2000  -25192.5       -25192.5       -25275.861     -25275.861      322.61707      322.61707      14949.714      14949.714     -555.92317     -555.92317    
      3000  -25197.939     -25197.939     -25277.157     -25277.157      306.58488      306.58488      14953.206      14953.206     -2801.3362     -2801.3362    
Loop time of 73.4631 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.176 ns/day, 20.406 hours/ns, 13.612 timesteps/s
58.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 73.274     | 73.274     | 73.274     |   0.0 | 99.74
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10198    | 0.10198    | 0.10198    |   0.0 |  0.14
Output  | 9.3315e-05 | 9.3315e-05 | 9.3315e-05 |   0.0 |  0.00
Modify  | 0.07931    | 0.07931    | 0.07931    |   0.0 |  0.11
Other   |            | 0.007453   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515940 ave      515940 max      515940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515940
Ave neighs/atom = 257.97
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      3000  -25197.939     -25197.939     -25277.157     -25277.157      306.58488      306.58488      14953.206      14953.206     -2801.3362     -2801.3362    
      4000  -25192.49      -25192.49      -25274.784     -25274.784      318.48634      318.48634      14923.902      14923.902      12283.946      12283.946    
Loop time of 81.6887 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.058 ns/day, 22.691 hours/ns, 12.242 timesteps/s
52.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 81.551     | 81.551     | 81.551     |   0.0 | 99.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046139   | 0.046139   | 0.046139   |   0.0 |  0.06
Output  | 8.8145e-05 | 8.8145e-05 | 8.8145e-05 |   0.0 |  0.00
Modify  | 0.083988   | 0.083988   | 0.083988   |   0.0 |  0.10
Other   |            | 0.007316   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515932 ave      515932 max      515932 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515932
Ave neighs/atom = 257.966
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      4000  -25192.49      -25192.49      -25274.784     -25274.784      318.48634      318.48634      14923.902      14923.902      12283.946      12283.946    
      5000  -25197.389     -25197.389     -25276.806     -25276.806      307.35138      307.35138      14947.626      14947.626     -145.46242     -145.46242    
Loop time of 71.6319 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.206 ns/day, 19.898 hours/ns, 13.960 timesteps/s
60.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 71.488     | 71.488     | 71.488     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042066   | 0.042066   | 0.042066   |   0.0 |  0.06
Output  | 6.2447e-05 | 6.2447e-05 | 6.2447e-05 |   0.0 |  0.00
Modify  | 0.094305   | 0.094305   | 0.094305   |   0.0 |  0.13
Other   |            | 0.007292   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515940 ave      515940 max      515940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515940
Ave neighs/atom = 257.97
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 307.498995075751, Press = 105.405493283023
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      5000  -25197.389     -25197.389     -25276.806     -25276.806      307.35138      307.35138      14947.626      14947.626     -145.46242     -145.46242    
      6000  -25195.775     -25195.775     -25275.398     -25275.398      308.14902      308.14902      14957.497      14957.497     -4630.8101     -4630.8101    
Loop time of 63.1974 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.367 ns/day, 17.555 hours/ns, 15.823 timesteps/s
68.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 63.065     | 63.065     | 63.065     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035013   | 0.035013   | 0.035013   |   0.0 |  0.06
Output  | 6.6926e-05 | 6.6926e-05 | 6.6926e-05 |   0.0 |  0.00
Modify  | 0.08985    | 0.08985    | 0.08985    |   0.0 |  0.14
Other   |            | 0.007296   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515928 ave      515928 max      515928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515928
Ave neighs/atom = 257.964
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.827805963794, Press = 102.297160014864
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      6000  -25195.775     -25195.775     -25275.398     -25275.398      308.14902      308.14902      14957.497      14957.497     -4630.8101     -4630.8101    
      7000  -25198.714     -25198.714     -25276.92      -25276.92       302.66577      302.66577      14935.841      14935.841      5444.1352      5444.1352    
Loop time of 52.8915 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.634 ns/day, 14.692 hours/ns, 18.907 timesteps/s
81.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 52.757     | 52.757     | 52.757     |   0.0 | 99.75
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035731   | 0.035731   | 0.035731   |   0.0 |  0.07
Output  | 8.2535e-05 | 8.2535e-05 | 8.2535e-05 |   0.0 |  0.00
Modify  | 0.091574   | 0.091574   | 0.091574   |   0.0 |  0.17
Other   |            | 0.00726    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515928 ave      515928 max      515928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515928
Ave neighs/atom = 257.964
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.694032260584, Press = 88.1715775827675
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      7000  -25198.714     -25198.714     -25276.92      -25276.92       302.66577      302.66577      14935.841      14935.841      5444.1352      5444.1352    
      8000  -25197.316     -25197.316     -25276.384     -25276.384      306.00157      306.00157      14940.672      14940.672      4061.9603      4061.9603    
Loop time of 51.294 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.684 ns/day, 14.248 hours/ns, 19.495 timesteps/s
83.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.176     | 51.176     | 51.176     |   0.0 | 99.77
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025156   | 0.025156   | 0.025156   |   0.0 |  0.05
Output  | 3.8803e-05 | 3.8803e-05 | 3.8803e-05 |   0.0 |  0.00
Modify  | 0.085336   | 0.085336   | 0.085336   |   0.0 |  0.17
Other   |            | 0.007621   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515944 ave      515944 max      515944 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515944
Ave neighs/atom = 257.972
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.780500051927, Press = 15.7056397808185
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      8000  -25197.316     -25197.316     -25276.384     -25276.384      306.00157      306.00157      14940.672      14940.672      4061.9603      4061.9603    
      9000  -25192.571     -25192.571     -25276.582     -25276.582      325.13077      325.13077      14965.017      14965.017     -7489.767      -7489.767     
Loop time of 60.3611 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.431 ns/day, 16.767 hours/ns, 16.567 timesteps/s
71.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 60.214     | 60.214     | 60.214     |   0.0 | 99.76
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045087   | 0.045087   | 0.045087   |   0.0 |  0.07
Output  | 6.2096e-05 | 6.2096e-05 | 6.2096e-05 |   0.0 |  0.00
Modify  | 0.095108   | 0.095108   | 0.095108   |   0.0 |  0.16
Other   |            | 0.007256   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515914 ave      515914 max      515914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515914
Ave neighs/atom = 257.957
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.555412385605, Press = -15.9143914685075
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      9000  -25192.571     -25192.571     -25276.582     -25276.582      325.13077      325.13077      14965.017      14965.017     -7489.767      -7489.767     
     10000  -25196.878     -25196.878     -25277.103     -25277.103      310.4825       310.4825       14967.939      14967.939     -9616.4074     -9616.4074    
Loop time of 46.8541 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.844 ns/day, 13.015 hours/ns, 21.343 timesteps/s
93.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.74      | 46.74      | 46.74      |   0.0 | 99.76
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036754   | 0.036754   | 0.036754   |   0.0 |  0.08
Output  | 5.2548e-05 | 5.2548e-05 | 5.2548e-05 |   0.0 |  0.00
Modify  | 0.067768   | 0.067768   | 0.067768   |   0.0 |  0.14
Other   |            | 0.00936    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515896 ave      515896 max      515896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515896
Ave neighs/atom = 257.948
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.762983868664, Press = 43.9005729265898
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     10000  -25196.878     -25196.878     -25277.103     -25277.103      310.4825       310.4825       14967.939      14967.939     -9616.4074     -9616.4074    
     11000  -25193.05      -25193.05      -25275.664     -25275.664      319.72568      319.72568      14945.346      14945.346      1559.5794      1559.5794    
Loop time of 45.3798 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.904 ns/day, 12.606 hours/ns, 22.036 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 45.281     | 45.281     | 45.281     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025759   | 0.025759   | 0.025759   |   0.0 |  0.06
Output  | 5.9261e-05 | 5.9261e-05 | 5.9261e-05 |   0.0 |  0.00
Modify  | 0.065892   | 0.065892   | 0.065892   |   0.0 |  0.15
Other   |            | 0.00737    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7007 ave        7007 max        7007 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515872 ave      515872 max      515872 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515872
Ave neighs/atom = 257.936
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.691629364844, Press = 34.726130350926
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     11000  -25193.05      -25193.05      -25275.664     -25275.664      319.72568      319.72568      14945.346      14945.346      1559.5794      1559.5794    
     12000  -25198.039     -25198.039     -25277.987     -25277.987      309.40676      309.40676      14934.059      14934.059      5999.1527      5999.1527    
Loop time of 49.0359 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.762 ns/day, 13.621 hours/ns, 20.393 timesteps/s
91.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 48.936     | 48.936     | 48.936     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025802   | 0.025802   | 0.025802   |   0.0 |  0.05
Output  | 3.8873e-05 | 3.8873e-05 | 3.8873e-05 |   0.0 |  0.00
Modify  | 0.066222   | 0.066222   | 0.066222   |   0.0 |  0.14
Other   |            | 0.007514   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515922 ave      515922 max      515922 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515922
Ave neighs/atom = 257.961
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.529440019632, Press = 10.6035072910695
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     12000  -25198.039     -25198.039     -25277.987     -25277.987      309.40676      309.40676      14934.059      14934.059      5999.1527      5999.1527    
     13000  -25192.758     -25192.758     -25272.231     -25272.231      307.57062      307.57062      14954.827      14954.827     -2590.8672     -2590.8672    
Loop time of 46.5824 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.855 ns/day, 12.940 hours/ns, 21.467 timesteps/s
96.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.466     | 46.466     | 46.466     |   0.0 | 99.75
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025498   | 0.025498   | 0.025498   |   0.0 |  0.05
Output  | 7.1845e-05 | 7.1845e-05 | 7.1845e-05 |   0.0 |  0.00
Modify  | 0.065845   | 0.065845   | 0.065845   |   0.0 |  0.14
Other   |            | 0.02448    |            |       |  0.05

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515962 ave      515962 max      515962 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515962
Ave neighs/atom = 257.981
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.584710177408, Press = 6.19306730958222
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     13000  -25192.758     -25192.758     -25272.231     -25272.231      307.57062      307.57062      14954.827      14954.827     -2590.8672     -2590.8672    
     14000  -25194.653     -25194.653     -25276.489     -25276.489      316.7164       316.7164       14957.281      14957.281     -4637.6454     -4637.6454    
Loop time of 48.4983 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.782 ns/day, 13.472 hours/ns, 20.619 timesteps/s
92.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 48.388     | 48.388     | 48.388     |   0.0 | 99.77
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025726   | 0.025726   | 0.025726   |   0.0 |  0.05
Output  | 7.1835e-05 | 7.1835e-05 | 7.1835e-05 |   0.0 |  0.00
Modify  | 0.077111   | 0.077111   | 0.077111   |   0.0 |  0.16
Other   |            | 0.007375   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515930 ave      515930 max      515930 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515930
Ave neighs/atom = 257.965
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.727163978396, Press = 10.0395377424009
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     14000  -25194.653     -25194.653     -25276.489     -25276.489      316.7164       316.7164       14957.281      14957.281     -4637.6454     -4637.6454    
     15000  -25197.184     -25197.184     -25277.985     -25277.985      312.70706      312.70706      14953.803      14953.803     -3540.5045     -3540.5045    
Loop time of 50.9831 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.695 ns/day, 14.162 hours/ns, 19.614 timesteps/s
90.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.847     | 50.847     | 50.847     |   0.0 | 99.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038977   | 0.038977   | 0.038977   |   0.0 |  0.08
Output  | 4.5225e-05 | 4.5225e-05 | 4.5225e-05 |   0.0 |  0.00
Modify  | 0.075963   | 0.075963   | 0.075963   |   0.0 |  0.15
Other   |            | 0.02087    |            |       |  0.04

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515938 ave      515938 max      515938 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515938
Ave neighs/atom = 257.969
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.719254300476, Press = 27.3571286869219
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     15000  -25197.184     -25197.184     -25277.985     -25277.985      312.70706      312.70706      14953.803      14953.803     -3540.5045     -3540.5045    
     16000  -25194.263     -25194.263     -25276.39      -25276.39       317.84221      317.84221      14929.323      14929.323      9087.3567      9087.3567    
Loop time of 45.9116 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.882 ns/day, 12.753 hours/ns, 21.781 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 45.812     | 45.812     | 45.812     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02589    | 0.02589    | 0.02589    |   0.0 |  0.06
Output  | 6.44e-05   | 6.44e-05   | 6.44e-05   |   0.0 |  0.00
Modify  | 0.066479   | 0.066479   | 0.066479   |   0.0 |  0.14
Other   |            | 0.00754    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515958 ave      515958 max      515958 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515958
Ave neighs/atom = 257.979
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.604886992067, Press = 12.7150628097131
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     16000  -25194.263     -25194.263     -25276.39      -25276.39       317.84221      317.84221      14929.323      14929.323      9087.3567      9087.3567    
     17000  -25195.647     -25195.647     -25276.958     -25276.958      314.6813       314.6813       14952.062      14952.062     -2236.2921     -2236.2921    
Loop time of 48.1792 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.793 ns/day, 13.383 hours/ns, 20.756 timesteps/s
95.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 48.058     | 48.058     | 48.058     |   0.0 | 99.75
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.029317   | 0.029317   | 0.029317   |   0.0 |  0.06
Output  | 0.00025776 | 0.00025776 | 0.00025776 |   0.0 |  0.00
Modify  | 0.08028    | 0.08028    | 0.08028    |   0.0 |  0.17
Other   |            | 0.01149    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515960 ave      515960 max      515960 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515960
Ave neighs/atom = 257.98
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.424600248753, Press = 6.08478673325045
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     17000  -25195.647     -25195.647     -25276.958     -25276.958      314.6813       314.6813       14952.062      14952.062     -2236.2921     -2236.2921    
     18000  -25194.761     -25194.761     -25275.372     -25275.372      311.97549      311.97549      14946.517      14946.517      636.12297      636.12297    
Loop time of 49.5482 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.744 ns/day, 13.763 hours/ns, 20.182 timesteps/s
92.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.408     | 49.408     | 49.408     |   0.0 | 99.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.028735   | 0.028735   | 0.028735   |   0.0 |  0.06
Output  | 0.010357   | 0.010357   | 0.010357   |   0.0 |  0.02
Modify  | 0.089931   | 0.089931   | 0.089931   |   0.0 |  0.18
Other   |            | 0.0107     |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515940 ave      515940 max      515940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515940
Ave neighs/atom = 257.97
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.359221738522, Press = 10.2569835537238
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     18000  -25194.761     -25194.761     -25275.372     -25275.372      311.97549      311.97549      14946.517      14946.517      636.12297      636.12297    
     19000  -25191.747     -25191.747     -25276.13      -25276.13       326.57237      326.57237      14945.871      14945.871      794.8039       794.8039     
Loop time of 46.233 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.869 ns/day, 12.842 hours/ns, 21.630 timesteps/s
98.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.132     | 46.132     | 46.132     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.026059   | 0.026059   | 0.026059   |   0.0 |  0.06
Output  | 5.828e-05  | 5.828e-05  | 5.828e-05  |   0.0 |  0.00
Modify  | 0.066877   | 0.066877   | 0.066877   |   0.0 |  0.14
Other   |            | 0.007512   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515926 ave      515926 max      515926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515926
Ave neighs/atom = 257.963
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.447094927821, Press = 10.9115866184112
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     19000  -25191.747     -25191.747     -25276.13      -25276.13       326.57237      326.57237      14945.871      14945.871      794.8039       794.8039     
     20000  -25195.279     -25195.279     -25277.636     -25277.636      318.72732      318.72732      14937.098      14937.098      4762.799       4762.799     
Loop time of 49.7168 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.738 ns/day, 13.810 hours/ns, 20.114 timesteps/s
92.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.576     | 49.576     | 49.576     |   0.0 | 99.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03532    | 0.03532    | 0.03532    |   0.0 |  0.07
Output  | 0.0002165  | 0.0002165  | 0.0002165  |   0.0 |  0.00
Modify  | 0.075525   | 0.075525   | 0.075525   |   0.0 |  0.15
Other   |            | 0.02939    |            |       |  0.06

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515958 ave      515958 max      515958 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515958
Ave neighs/atom = 257.979
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.576734942774, Press = 3.61759903871249
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     20000  -25195.279     -25195.279     -25277.636     -25277.636      318.72732      318.72732      14937.098      14937.098      4762.799       4762.799     
     21000  -25193.549     -25193.549     -25274.884     -25274.884      314.77353      314.77353      14959.954      14959.954     -5356.5542     -5356.5542    
Loop time of 46.4776 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.859 ns/day, 12.910 hours/ns, 21.516 timesteps/s
98.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.377     | 46.377     | 46.377     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025931   | 0.025931   | 0.025931   |   0.0 |  0.06
Output  | 6.1205e-05 | 6.1205e-05 | 6.1205e-05 |   0.0 |  0.00
Modify  | 0.066631   | 0.066631   | 0.066631   |   0.0 |  0.14
Other   |            | 0.007594   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515938 ave      515938 max      515938 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515938
Ave neighs/atom = 257.969
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.786172013708, Press = 0.660244054445161
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     21000  -25193.549     -25193.549     -25274.884     -25274.884      314.77353      314.77353      14959.954      14959.954     -5356.5542     -5356.5542    
     22000  -25193.169     -25193.169     -25274.055     -25274.055      313.03565      313.03565      14955.679      14955.679     -3344.5109     -3344.5109    
Loop time of 48.8243 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.770 ns/day, 13.562 hours/ns, 20.482 timesteps/s
95.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 48.71      | 48.71      | 48.71      |   0.0 | 99.77
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.028702   | 0.028702   | 0.028702   |   0.0 |  0.06
Output  | 5.2498e-05 | 5.2498e-05 | 5.2498e-05 |   0.0 |  0.00
Modify  | 0.074797   | 0.074797   | 0.074797   |   0.0 |  0.15
Other   |            | 0.01044    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515926 ave      515926 max      515926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515926
Ave neighs/atom = 257.963
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.793801141858, Press = 11.9151695715472
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     22000  -25193.169     -25193.169     -25274.055     -25274.055      313.03565      313.03565      14955.679      14955.679     -3344.5109     -3344.5109    
     23000  -25198.61      -25198.61      -25276.884     -25276.884      302.92963      302.92963      14935.874      14935.874      5285.3643      5285.3643    
Loop time of 49.6171 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.741 ns/day, 13.783 hours/ns, 20.154 timesteps/s
92.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.505     | 49.505     | 49.505     |   0.0 | 99.77
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.026385   | 0.026385   | 0.026385   |   0.0 |  0.05
Output  | 6.3188e-05 | 6.3188e-05 | 6.3188e-05 |   0.0 |  0.00
Modify  | 0.078467   | 0.078467   | 0.078467   |   0.0 |  0.16
Other   |            | 0.007606   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515924 ave      515924 max      515924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515924
Ave neighs/atom = 257.962
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.713652362036, Press = 9.5114284469993
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     23000  -25198.61      -25198.61      -25276.884     -25276.884      302.92963      302.92963      14935.874      14935.874      5285.3643      5285.3643    
     24000  -25194.675     -25194.675     -25276.156     -25276.156      315.34187      315.34187      14944.099      14944.099      1350.2379      1350.2379    
Loop time of 45.9673 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.880 ns/day, 12.769 hours/ns, 21.755 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 45.867     | 45.867     | 45.867     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.026067   | 0.026067   | 0.026067   |   0.0 |  0.06
Output  | 7.9209e-05 | 7.9209e-05 | 7.9209e-05 |   0.0 |  0.00
Modify  | 0.067135   | 0.067135   | 0.067135   |   0.0 |  0.15
Other   |            | 0.007527   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515946 ave      515946 max      515946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515946
Ave neighs/atom = 257.973
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.655298221217, Press = 4.19405264714971
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     24000  -25194.675     -25194.675     -25276.156     -25276.156      315.34187      315.34187      14944.099      14944.099      1350.2379      1350.2379    
     25000  -25195.408     -25195.408     -25277.416     -25277.416      317.37864      317.37864      14953.186      14953.186     -2772.727      -2772.727     
Loop time of 44.8227 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.928 ns/day, 12.451 hours/ns, 22.310 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.723     | 44.723     | 44.723     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025397   | 0.025397   | 0.025397   |   0.0 |  0.06
Output  | 5.7077e-05 | 5.7077e-05 | 5.7077e-05 |   0.0 |  0.00
Modify  | 0.06683    | 0.06683    | 0.06683    |   0.0 |  0.15
Other   |            | 0.007599   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515966 ave      515966 max      515966 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515966
Ave neighs/atom = 257.983
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.521454357753, Press = 4.1188284559649
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     25000  -25195.408     -25195.408     -25277.416     -25277.416      317.37864      317.37864      14953.186      14953.186     -2772.727      -2772.727     
     26000  -25196.587     -25196.587     -25275.836     -25275.836      306.70114      306.70114      14950.657      14950.657     -1673.5094     -1673.5094    
Loop time of 45.0681 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.917 ns/day, 12.519 hours/ns, 22.189 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.969     | 44.969     | 44.969     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025385   | 0.025385   | 0.025385   |   0.0 |  0.06
Output  | 5.4052e-05 | 5.4052e-05 | 5.4052e-05 |   0.0 |  0.00
Modify  | 0.066192   | 0.066192   | 0.066192   |   0.0 |  0.15
Other   |            | 0.007432   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515938 ave      515938 max      515938 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515938
Ave neighs/atom = 257.969
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.578283644719, Press = 6.45647598762336
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     26000  -25196.587     -25196.587     -25275.836     -25275.836      306.70114      306.70114      14950.657      14950.657     -1673.5094     -1673.5094    
     27000  -25194.131     -25194.131     -25275.689     -25275.689      315.63923      315.63923      14948.054      14948.054      498.8738       498.8738     
Loop time of 44.8528 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.926 ns/day, 12.459 hours/ns, 22.295 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.754     | 44.754     | 44.754     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025351   | 0.025351   | 0.025351   |   0.0 |  0.06
Output  | 3.6588e-05 | 3.6588e-05 | 3.6588e-05 |   0.0 |  0.00
Modify  | 0.066242   | 0.066242   | 0.066242   |   0.0 |  0.15
Other   |            | 0.00746    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515954 ave      515954 max      515954 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515954
Ave neighs/atom = 257.977
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.713639879652, Press = 9.2731240425426
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     27000  -25194.131     -25194.131     -25275.689     -25275.689      315.63923      315.63923      14948.054      14948.054      498.8738       498.8738     
     28000  -25193.175     -25193.175     -25273.292     -25273.292      310.06221      310.06221      14928.004      14928.004      10490.951      10490.951    
Loop time of 44.1433 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.957 ns/day, 12.262 hours/ns, 22.653 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.045     | 44.045     | 44.045     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024964   | 0.024964   | 0.024964   |   0.0 |  0.06
Output  | 6.6575e-05 | 6.6575e-05 | 6.6575e-05 |   0.0 |  0.00
Modify  | 0.066065   | 0.066065   | 0.066065   |   0.0 |  0.15
Other   |            | 0.007565   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515904 ave      515904 max      515904 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515904
Ave neighs/atom = 257.952
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.661491438116, Press = 3.73212083883105
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     28000  -25193.175     -25193.175     -25273.292     -25273.292      310.06221      310.06221      14928.004      14928.004      10490.951      10490.951    
     29000  -25195.99      -25195.99      -25274.793     -25274.793      304.97514      304.97514      14950.972      14950.972     -1108.4648     -1108.4648    
Loop time of 44.6632 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.934 ns/day, 12.406 hours/ns, 22.390 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.564     | 44.564     | 44.564     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025131   | 0.025131   | 0.025131   |   0.0 |  0.06
Output  | 6.1926e-05 | 6.1926e-05 | 6.1926e-05 |   0.0 |  0.00
Modify  | 0.065964   | 0.065964   | 0.065964   |   0.0 |  0.15
Other   |            | 0.007543   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515942 ave      515942 max      515942 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515942
Ave neighs/atom = 257.971
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.654595255824, Press = -0.934553624519005
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     29000  -25195.99      -25195.99      -25274.793     -25274.793      304.97514      304.97514      14950.972      14950.972     -1108.4648     -1108.4648    
     30000  -25193.417     -25193.417     -25274.712     -25274.712      314.62151      314.62151      14963.374      14963.374     -6950.39       -6950.39      
Loop time of 44.5505 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.939 ns/day, 12.375 hours/ns, 22.446 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.45      | 44.45      | 44.45      |   0.0 | 99.77
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025435   | 0.025435   | 0.025435   |   0.0 |  0.06
Output  | 4.5425e-05 | 4.5425e-05 | 4.5425e-05 |   0.0 |  0.00
Modify  | 0.067074   | 0.067074   | 0.067074   |   0.0 |  0.15
Other   |            | 0.007883   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515926 ave      515926 max      515926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515926
Ave neighs/atom = 257.963
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.67800046277, Press = 4.33764157243715
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     30000  -25193.417     -25193.417     -25274.712     -25274.712      314.62151      314.62151      14963.374      14963.374     -6950.39       -6950.39      
     31000  -25196.687     -25196.687     -25277.194     -25277.194      311.56834      311.56834      14942.35       14942.35       2502.0932      2502.0932    
Loop time of 44.7955 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.929 ns/day, 12.443 hours/ns, 22.324 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.696     | 44.696     | 44.696     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025354   | 0.025354   | 0.025354   |   0.0 |  0.06
Output  | 0.00011193 | 0.00011193 | 0.00011193 |   0.0 |  0.00
Modify  | 0.066168   | 0.066168   | 0.066168   |   0.0 |  0.15
Other   |            | 0.007438   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515912 ave      515912 max      515912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515912
Ave neighs/atom = 257.956
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.720141309504, Press = 7.67121287657979
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     31000  -25196.687     -25196.687     -25277.194     -25277.194      311.56834      311.56834      14942.35       14942.35       2502.0932      2502.0932    
     32000  -25193.089     -25193.089     -25274.27      -25274.27       314.17885      314.17885      14946.222      14946.222      1462.8908      1462.8908    
Loop time of 44.959 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.922 ns/day, 12.489 hours/ns, 22.242 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.86      | 44.86      | 44.86      |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025351   | 0.025351   | 0.025351   |   0.0 |  0.06
Output  | 6.1846e-05 | 6.1846e-05 | 6.1846e-05 |   0.0 |  0.00
Modify  | 0.06628    | 0.06628    | 0.06628    |   0.0 |  0.15
Other   |            | 0.007503   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515944 ave      515944 max      515944 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515944
Ave neighs/atom = 257.972
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.859154562575, Press = 3.28338738086775
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     32000  -25193.089     -25193.089     -25274.27      -25274.27       314.17885      314.17885      14946.222      14946.222      1462.8908      1462.8908    
     33000  -25195.258     -25195.258     -25276.517     -25276.517      314.48113      314.48113      14952.27       14952.27      -2072.4807     -2072.4807    
Loop time of 44.4065 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.946 ns/day, 12.335 hours/ns, 22.519 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.308     | 44.308     | 44.308     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025076   | 0.025076   | 0.025076   |   0.0 |  0.06
Output  | 5.4953e-05 | 5.4953e-05 | 5.4953e-05 |   0.0 |  0.00
Modify  | 0.066006   | 0.066006   | 0.066006   |   0.0 |  0.15
Other   |            | 0.007459   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515926 ave      515926 max      515926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515926
Ave neighs/atom = 257.963
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.88186940678, Press = 1.50421629514645
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     33000  -25195.258     -25195.258     -25276.517     -25276.517      314.48113      314.48113      14952.27       14952.27      -2072.4807     -2072.4807    
     34000  -25195.81      -25195.81      -25275.49      -25275.49       308.36758      308.36758      14955.148      14955.148     -3703.7857     -3703.7857    
Loop time of 44.6972 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.933 ns/day, 12.416 hours/ns, 22.373 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.598     | 44.598     | 44.598     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025264   | 0.025264   | 0.025264   |   0.0 |  0.06
Output  | 3.8974e-05 | 3.8974e-05 | 3.8974e-05 |   0.0 |  0.00
Modify  | 0.066215   | 0.066215   | 0.066215   |   0.0 |  0.15
Other   |            | 0.007393   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515930 ave      515930 max      515930 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515930
Ave neighs/atom = 257.965
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.99331828031, Press = 4.38857472201961
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     34000  -25195.81      -25195.81      -25275.49      -25275.49       308.36758      308.36758      14955.148      14955.148     -3703.7857     -3703.7857    
     35000  -25193.471     -25193.471     -25276.292     -25276.292      320.52595      320.52595      14942.589      14942.589      2511.5589      2511.5589    
Loop time of 44.0886 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.960 ns/day, 12.247 hours/ns, 22.682 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.99      | 43.99      | 43.99      |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025059   | 0.025059   | 0.025059   |   0.0 |  0.06
Output  | 6.5282e-05 | 6.5282e-05 | 6.5282e-05 |   0.0 |  0.00
Modify  | 0.065925   | 0.065925   | 0.065925   |   0.0 |  0.15
Other   |            | 0.007391   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515924 ave      515924 max      515924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515924
Ave neighs/atom = 257.962
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.996875996487, Press = 4.91671656718317
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     35000  -25193.471     -25193.471     -25276.292     -25276.292      320.52595      320.52595      14942.589      14942.589      2511.5589      2511.5589    
     36000  -25194.93      -25194.93      -25276.343     -25276.343      315.07563      315.07563      14937.411      14937.411      5399.7726      5399.7726    
Loop time of 44.5402 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.940 ns/day, 12.372 hours/ns, 22.452 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.442     | 44.442     | 44.442     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025136   | 0.025136   | 0.025136   |   0.0 |  0.06
Output  | 3.8853e-05 | 3.8853e-05 | 3.8853e-05 |   0.0 |  0.00
Modify  | 0.065809   | 0.065809   | 0.065809   |   0.0 |  0.15
Other   |            | 0.00741    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515930 ave      515930 max      515930 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515930
Ave neighs/atom = 257.965
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.917589998245, Press = 2.01135039704517
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     36000  -25194.93      -25194.93      -25276.343     -25276.343      315.07563      315.07563      14937.411      14937.411      5399.7726      5399.7726    
     37000  -25193.413     -25193.413     -25276.543     -25276.543      321.72024      321.72024      14964.311      14964.311     -7991.6017     -7991.6017    
Loop time of 44.068 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.961 ns/day, 12.241 hours/ns, 22.692 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.969     | 43.969     | 43.969     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024859   | 0.024859   | 0.024859   |   0.0 |  0.06
Output  | 5.4663e-05 | 5.4663e-05 | 5.4663e-05 |   0.0 |  0.00
Modify  | 0.066176   | 0.066176   | 0.066176   |   0.0 |  0.15
Other   |            | 0.007436   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515914 ave      515914 max      515914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515914
Ave neighs/atom = 257.957
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.88365777399, Press = -2.41046939116348
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     37000  -25193.413     -25193.413     -25276.543     -25276.543      321.72024      321.72024      14964.311      14964.311     -7991.6017     -7991.6017    
     38000  -25190.655     -25190.655     -25273.774     -25273.774      321.68225      321.68225      14962.012      14962.012     -6218.7902     -6218.7902    
Loop time of 43.8273 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.971 ns/day, 12.174 hours/ns, 22.817 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.729     | 43.729     | 43.729     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02476    | 0.02476    | 0.02476    |   0.0 |  0.06
Output  | 3.9283e-05 | 3.9283e-05 | 3.9283e-05 |   0.0 |  0.00
Modify  | 0.066071   | 0.066071   | 0.066071   |   0.0 |  0.15
Other   |            | 0.007388   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515910 ave      515910 max      515910 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515910
Ave neighs/atom = 257.955
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.889176186055, Press = 6.22578885971682
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     38000  -25190.655     -25190.655     -25273.774     -25273.774      321.68225      321.68225      14962.012      14962.012     -6218.7902     -6218.7902    
     39000  -25195.733     -25195.733     -25276.378     -25276.378      312.10455      312.10455      14940.879      14940.879      3098.0959      3098.0959    
Loop time of 44.3604 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.948 ns/day, 12.322 hours/ns, 22.543 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.262     | 44.262     | 44.262     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025111   | 0.025111   | 0.025111   |   0.0 |  0.06
Output  | 7.6925e-05 | 7.6925e-05 | 7.6925e-05 |   0.0 |  0.00
Modify  | 0.066032   | 0.066032   | 0.066032   |   0.0 |  0.15
Other   |            | 0.007479   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515924 ave      515924 max      515924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515924
Ave neighs/atom = 257.962
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.972538497331, Press = 4.67000511416434
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     39000  -25195.733     -25195.733     -25276.378     -25276.378      312.10455      312.10455      14940.879      14940.879      3098.0959      3098.0959    
     40000  -25193.82      -25193.82      -25275.339     -25275.339      315.48645      315.48645      14937          14937          5022.7404      5022.7404    
Loop time of 44.5095 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.941 ns/day, 12.364 hours/ns, 22.467 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.41      | 44.41      | 44.41      |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025367   | 0.025367   | 0.025367   |   0.0 |  0.06
Output  | 8.6913e-05 | 8.6913e-05 | 8.6913e-05 |   0.0 |  0.00
Modify  | 0.066614   | 0.066614   | 0.066614   |   0.0 |  0.15
Other   |            | 0.007476   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515952 ave      515952 max      515952 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515952
Ave neighs/atom = 257.976
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.000986889631, Press = 2.61302910248408
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     40000  -25193.82      -25193.82      -25275.339     -25275.339      315.48645      315.48645      14937          14937          5022.7404      5022.7404    
     41000  -25198.463     -25198.463     -25277.116     -25277.116      304.39331      304.39331      14954.316      14954.316     -4119.7639     -4119.7639    
Loop time of 44.3463 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.948 ns/day, 12.318 hours/ns, 22.550 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.248     | 44.248     | 44.248     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025096   | 0.025096   | 0.025096   |   0.0 |  0.06
Output  | 4.4623e-05 | 4.4623e-05 | 4.4623e-05 |   0.0 |  0.00
Modify  | 0.06613    | 0.06613    | 0.06613    |   0.0 |  0.15
Other   |            | 0.00741    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515952 ave      515952 max      515952 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515952
Ave neighs/atom = 257.976
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.963813139324, Press = -0.635189089068136
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     41000  -25198.463     -25198.463     -25277.116     -25277.116      304.39331      304.39331      14954.316      14954.316     -4119.7639     -4119.7639    
     42000  -25194.667     -25194.667     -25276.567     -25276.567      316.96287      316.96287      14960.885      14960.885     -6778.2382     -6778.2382    
Loop time of 44.5657 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.939 ns/day, 12.379 hours/ns, 22.439 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.466     | 44.466     | 44.466     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025212   | 0.025212   | 0.025212   |   0.0 |  0.06
Output  | 4.0636e-05 | 4.0636e-05 | 4.0636e-05 |   0.0 |  0.00
Modify  | 0.066546   | 0.066546   | 0.066546   |   0.0 |  0.15
Other   |            | 0.007414   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515954 ave      515954 max      515954 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515954
Ave neighs/atom = 257.977
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.933175172822, Press = 4.45924016740993
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     42000  -25194.667     -25194.667     -25276.567     -25276.567      316.96287      316.96287      14960.885      14960.885     -6778.2382     -6778.2382    
     43000  -25198.369     -25198.369     -25276.266     -25276.266      301.47216      301.47216      14942.105      14942.105      2236.2244      2236.2244    
Loop time of 44.1118 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.959 ns/day, 12.253 hours/ns, 22.670 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.013     | 44.013     | 44.013     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025121   | 0.025121   | 0.025121   |   0.0 |  0.06
Output  | 5.6366e-05 | 5.6366e-05 | 5.6366e-05 |   0.0 |  0.00
Modify  | 0.065995   | 0.065995   | 0.065995   |   0.0 |  0.15
Other   |            | 0.007544   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515930 ave      515930 max      515930 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515930
Ave neighs/atom = 257.965
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.873097612254, Press = 4.74165700826803
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     43000  -25198.369     -25198.369     -25276.266     -25276.266      301.47216      301.47216      14942.105      14942.105      2236.2244      2236.2244    
     44000  -25195.594     -25195.594     -25276.324     -25276.324      312.43271      312.43271      14942.352      14942.352      2410.4749      2410.4749    
Loop time of 43.7487 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.975 ns/day, 12.152 hours/ns, 22.858 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.651     | 43.651     | 43.651     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024656   | 0.024656   | 0.024656   |   0.0 |  0.06
Output  | 5.3129e-05 | 5.3129e-05 | 5.3129e-05 |   0.0 |  0.00
Modify  | 0.065783   | 0.065783   | 0.065783   |   0.0 |  0.15
Other   |            | 0.007408   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515954 ave      515954 max      515954 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515954
Ave neighs/atom = 257.977
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.876222269738, Press = 1.80527731586434
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     44000  -25195.594     -25195.594     -25276.324     -25276.324      312.43271      312.43271      14942.352      14942.352      2410.4749      2410.4749    
     45000  -25194.129     -25194.129     -25274.973     -25274.973      312.87547      312.87547      14951.514      14951.514     -1603.4391     -1603.4391    
Loop time of 43.8749 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.969 ns/day, 12.187 hours/ns, 22.792 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.777     | 43.777     | 43.777     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024828   | 0.024828   | 0.024828   |   0.0 |  0.06
Output  | 4.8511e-05 | 4.8511e-05 | 4.8511e-05 |   0.0 |  0.00
Modify  | 0.065827   | 0.065827   | 0.065827   |   0.0 |  0.15
Other   |            | 0.007392   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515936 ave      515936 max      515936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515936
Ave neighs/atom = 257.968
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.884510253117, Press = 2.73482667853955
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     45000  -25194.129     -25194.129     -25274.973     -25274.973      312.87547      312.87547      14951.514      14951.514     -1603.4391     -1603.4391    
     46000  -25198.358     -25198.358     -25277.281     -25277.281      305.43978      305.43978      14945.686      14945.686      288.54975      288.54975    
Loop time of 44.3582 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.948 ns/day, 12.322 hours/ns, 22.544 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.259     | 44.259     | 44.259     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025249   | 0.025249   | 0.025249   |   0.0 |  0.06
Output  | 4.2991e-05 | 4.2991e-05 | 4.2991e-05 |   0.0 |  0.00
Modify  | 0.066273   | 0.066273   | 0.066273   |   0.0 |  0.15
Other   |            | 0.007497   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515914 ave      515914 max      515914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515914
Ave neighs/atom = 257.957
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.854446931318, Press = 2.73792671306699
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     46000  -25198.358     -25198.358     -25277.281     -25277.281      305.43978      305.43978      14945.686      14945.686      288.54975      288.54975    
     47000  -25193.403     -25193.403     -25274.68      -25274.68       314.55065      314.55065      14942.421      14942.421      2786.7045      2786.7045    
Loop time of 43.7775 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.974 ns/day, 12.160 hours/ns, 22.843 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.679     | 43.679     | 43.679     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024756   | 0.024756   | 0.024756   |   0.0 |  0.06
Output  | 6.4311e-05 | 6.4311e-05 | 6.4311e-05 |   0.0 |  0.00
Modify  | 0.06618    | 0.06618    | 0.06618    |   0.0 |  0.15
Other   |            | 0.007471   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515956 ave      515956 max      515956 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515956
Ave neighs/atom = 257.978
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.877830998004, Press = 3.04947004352903
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     47000  -25193.403     -25193.403     -25274.68      -25274.68       314.55065      314.55065      14942.421      14942.421      2786.7045      2786.7045    
     48000  -25195.081     -25195.081     -25273.697     -25273.697      304.24967      304.24967      14942.86       14942.86       2683.8963      2683.8963    
Loop time of 43.8563 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.970 ns/day, 12.182 hours/ns, 22.802 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.758     | 43.758     | 43.758     |   0.0 | 99.77
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024947   | 0.024947   | 0.024947   |   0.0 |  0.06
Output  | 5.7719e-05 | 5.7719e-05 | 5.7719e-05 |   0.0 |  0.00
Modify  | 0.065965   | 0.065965   | 0.065965   |   0.0 |  0.15
Other   |            | 0.007828   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515952 ave      515952 max      515952 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515952
Ave neighs/atom = 257.976
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.904017176259, Press = -0.829072645663533
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     48000  -25195.081     -25195.081     -25273.697     -25273.697      304.24967      304.24967      14942.86       14942.86       2683.8963      2683.8963    
     49000  -25195.653     -25195.653     -25275.647     -25275.647      309.58445      309.58445      14962.295      14962.295     -6911.1803     -6911.1803    
Loop time of 43.7965 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.973 ns/day, 12.166 hours/ns, 22.833 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.701     | 43.701     | 43.701     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02466    | 0.02466    | 0.02466    |   0.0 |  0.06
Output  | 3.7731e-05 | 3.7731e-05 | 3.7731e-05 |   0.0 |  0.00
Modify  | 0.063348   | 0.063348   | 0.063348   |   0.0 |  0.14
Other   |            | 0.007061   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515948 ave      515948 max      515948 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515948
Ave neighs/atom = 257.974
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.930653653551, Press = 2.23244105424403
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     49000  -25195.653     -25195.653     -25275.647     -25275.647      309.58445      309.58445      14962.295      14962.295     -6911.1803     -6911.1803    
     50000  -25194.244     -25194.244     -25275.668     -25275.668      315.11921      315.11921      14947.351      14947.351      633.88041      633.88041    
Loop time of 43.1877 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.001 ns/day, 11.997 hours/ns, 23.155 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.095     | 43.095     | 43.095     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024335   | 0.024335   | 0.024335   |   0.0 |  0.06
Output  | 5.0575e-05 | 5.0575e-05 | 5.0575e-05 |   0.0 |  0.00
Modify  | 0.061795   | 0.061795   | 0.061795   |   0.0 |  0.14
Other   |            | 0.006827   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515914 ave      515914 max      515914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515914
Ave neighs/atom = 257.957
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.922343512319, Press = 4.06038393151325
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     50000  -25194.244     -25194.244     -25275.668     -25275.668      315.11921      315.11921      14947.351      14947.351      633.88041      633.88041    
     51000  -25194.974     -25194.974     -25275.916     -25275.916      313.25587      313.25587      14942.79       14942.79       2302.0892      2302.0892    
Loop time of 43.2432 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.998 ns/day, 12.012 hours/ns, 23.125 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.15      | 43.15      | 43.15      |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024322   | 0.024322   | 0.024322   |   0.0 |  0.06
Output  | 5.0004e-05 | 5.0004e-05 | 5.0004e-05 |   0.0 |  0.00
Modify  | 0.061859   | 0.061859   | 0.061859   |   0.0 |  0.14
Other   |            | 0.006874   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515924 ave      515924 max      515924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515924
Ave neighs/atom = 257.962
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.913519112659, Press = 2.3963396726647
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     51000  -25194.974     -25194.974     -25275.916     -25275.916      313.25587      313.25587      14942.79       14942.79       2302.0892      2302.0892    
     52000  -25197.829     -25197.829     -25275.518     -25275.518      300.66555      300.66555      14944.192      14944.192      1443.9894      1443.9894    
Loop time of 43.1647 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.002 ns/day, 11.990 hours/ns, 23.167 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.071     | 43.071     | 43.071     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024859   | 0.024859   | 0.024859   |   0.0 |  0.06
Output  | 4.821e-05  | 4.821e-05  | 4.821e-05  |   0.0 |  0.00
Modify  | 0.062243   | 0.062243   | 0.062243   |   0.0 |  0.14
Other   |            | 0.006885   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515948 ave      515948 max      515948 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515948
Ave neighs/atom = 257.974
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.839734150125, Press = 1.89225717394388
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     52000  -25197.829     -25197.829     -25275.518     -25275.518      300.66555      300.66555      14944.192      14944.192      1443.9894      1443.9894    
     53000  -25194.59      -25194.59      -25274.418     -25274.418      308.94186      308.94186      14952.719      14952.719     -1884.5491     -1884.5491    
Loop time of 43.3202 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.994 ns/day, 12.033 hours/ns, 23.084 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.227     | 43.227     | 43.227     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024326   | 0.024326   | 0.024326   |   0.0 |  0.06
Output  | 3.745e-05  | 3.745e-05  | 3.745e-05  |   0.0 |  0.00
Modify  | 0.061906   | 0.061906   | 0.061906   |   0.0 |  0.14
Other   |            | 0.006808   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515934 ave      515934 max      515934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515934
Ave neighs/atom = 257.967
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.799292669156, Press = -0.13836930250806
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     53000  -25194.59      -25194.59      -25274.418     -25274.418      308.94186      308.94186      14952.719      14952.719     -1884.5491     -1884.5491    
     54000  -25194.495     -25194.495     -25275.618     -25275.618      313.95521      313.95521      14960.101      14960.101     -5785.9193     -5785.9193    
Loop time of 43.1568 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.002 ns/day, 11.988 hours/ns, 23.171 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.064     | 43.064     | 43.064     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024273   | 0.024273   | 0.024273   |   0.0 |  0.06
Output  | 4.4183e-05 | 4.4183e-05 | 4.4183e-05 |   0.0 |  0.00
Modify  | 0.061801   | 0.061801   | 0.061801   |   0.0 |  0.14
Other   |            | 0.006801   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515924 ave      515924 max      515924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515924
Ave neighs/atom = 257.962
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.795620626852, Press = 4.7416584675292
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     54000  -25194.495     -25194.495     -25275.618     -25275.618      313.95521      313.95521      14960.101      14960.101     -5785.9193     -5785.9193    
     55000  -25197.001     -25197.001     -25274.891     -25274.891      301.44114      301.44114      14933.629      14933.629      7435.4023      7435.4023    
Loop time of 43.0882 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.005 ns/day, 11.969 hours/ns, 23.208 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.994     | 42.994     | 42.994     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024861   | 0.024861   | 0.024861   |   0.0 |  0.06
Output  | 0.00011689 | 0.00011689 | 0.00011689 |   0.0 |  0.00
Modify  | 0.062363   | 0.062363   | 0.062363   |   0.0 |  0.14
Other   |            | 0.006978   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515932 ave      515932 max      515932 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515932
Ave neighs/atom = 257.966
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.842022038015, Press = 3.76341658871279
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     55000  -25197.001     -25197.001     -25274.891     -25274.891      301.44114      301.44114      14933.629      14933.629      7435.4023      7435.4023    
     56000  -25195.094     -25195.094     -25275.323     -25275.323      310.49221      310.49221      14942.43       14942.43       3184.6956      3184.6956    
Loop time of 43.0166 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.009 ns/day, 11.949 hours/ns, 23.247 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.923     | 42.923     | 42.923     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024736   | 0.024736   | 0.024736   |   0.0 |  0.06
Output  | 4.1989e-05 | 4.1989e-05 | 4.1989e-05 |   0.0 |  0.00
Modify  | 0.061973   | 0.061973   | 0.061973   |   0.0 |  0.14
Other   |            | 0.006817   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515924 ave      515924 max      515924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515924
Ave neighs/atom = 257.962
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.852653815094, Press = 1.79678335747252
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     56000  -25195.094     -25195.094     -25275.323     -25275.323      310.49221      310.49221      14942.43       14942.43       3184.6956      3184.6956    
     57000  -25196.648     -25196.648     -25277.679     -25277.679      313.59539      313.59539      14953.78       14953.78      -3149.0263     -3149.0263    
Loop time of 43.0807 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.006 ns/day, 11.967 hours/ns, 23.212 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.988     | 42.988     | 42.988     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02438    | 0.02438    | 0.02438    |   0.0 |  0.06
Output  | 3.703e-05  | 3.703e-05  | 3.703e-05  |   0.0 |  0.00
Modify  | 0.061888   | 0.061888   | 0.061888   |   0.0 |  0.14
Other   |            | 0.006815   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515920 ave      515920 max      515920 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515920
Ave neighs/atom = 257.96
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.831923549576, Press = 1.49902279658869
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     57000  -25196.648     -25196.648     -25277.679     -25277.679      313.59539      313.59539      14953.78       14953.78      -3149.0263     -3149.0263    
     58000  -25194.204     -25194.204     -25276.589     -25276.589      318.83987      318.83987      14954.7        14954.7       -3183.6745     -3183.6745    
Loop time of 43.1171 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.004 ns/day, 11.977 hours/ns, 23.193 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.024     | 43.024     | 43.024     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024224   | 0.024224   | 0.024224   |   0.0 |  0.06
Output  | 4.5315e-05 | 4.5315e-05 | 4.5315e-05 |   0.0 |  0.00
Modify  | 0.061858   | 0.061858   | 0.061858   |   0.0 |  0.14
Other   |            | 0.006829   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515934 ave      515934 max      515934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515934
Ave neighs/atom = 257.967
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.806379912046, Press = 2.77584040878456
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     58000  -25194.204     -25194.204     -25276.589     -25276.589      318.83987      318.83987      14954.7        14954.7       -3183.6745     -3183.6745    
     59000  -25199.853     -25199.853     -25278.186     -25278.186      303.15523      303.15523      14937.904      14937.904      4082.1873      4082.1873    
Loop time of 43.0919 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.005 ns/day, 11.970 hours/ns, 23.206 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.999     | 42.999     | 42.999     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024329   | 0.024329   | 0.024329   |   0.0 |  0.06
Output  | 4.3572e-05 | 4.3572e-05 | 4.3572e-05 |   0.0 |  0.00
Modify  | 0.061948   | 0.061948   | 0.061948   |   0.0 |  0.14
Other   |            | 0.006852   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515908 ave      515908 max      515908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515908
Ave neighs/atom = 257.954
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.755722440666, Press = 2.77575691437873
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     59000  -25199.853     -25199.853     -25278.186     -25278.186      303.15523      303.15523      14937.904      14937.904      4082.1873      4082.1873    
     60000  -25194.703     -25194.703     -25274.582     -25274.582      309.14219      309.14219      14933.891      14933.891      7489.6653      7489.6653    
Loop time of 43.0892 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.005 ns/day, 11.969 hours/ns, 23.208 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.996     | 42.996     | 42.996     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024257   | 0.024257   | 0.024257   |   0.0 |  0.06
Output  | 3.6569e-05 | 3.6569e-05 | 3.6569e-05 |   0.0 |  0.00
Modify  | 0.061943   | 0.061943   | 0.061943   |   0.0 |  0.14
Other   |            | 0.006809   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515944 ave      515944 max      515944 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515944
Ave neighs/atom = 257.972
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.752924202431, Press = 0.0560991276637749
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     60000  -25194.703     -25194.703     -25274.582     -25274.582      309.14219      309.14219      14933.891      14933.891      7489.6653      7489.6653    
     61000  -25195.412     -25195.412     -25273.897     -25273.897      303.74634      303.74634      14964.44       14964.44      -7684.5564     -7684.5564    
Loop time of 43.0713 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.006 ns/day, 11.964 hours/ns, 23.217 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.978     | 42.978     | 42.978     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02428    | 0.02428    | 0.02428    |   0.0 |  0.06
Output  | 5.7799e-05 | 5.7799e-05 | 5.7799e-05 |   0.0 |  0.00
Modify  | 0.061859   | 0.061859   | 0.061859   |   0.0 |  0.14
Other   |            | 0.006808   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515918 ave      515918 max      515918 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515918
Ave neighs/atom = 257.959
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.735104919067, Press = -0.961715142075202
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     61000  -25195.412     -25195.412     -25273.897     -25273.897      303.74634      303.74634      14964.44       14964.44      -7684.5564     -7684.5564    
     62000  -25195.402     -25195.402     -25276.602     -25276.602      314.25394      314.25394      14956.263      14956.263     -4385.5564     -4385.5564    
Loop time of 43.1064 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.004 ns/day, 11.974 hours/ns, 23.198 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.013     | 43.013     | 43.013     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024297   | 0.024297   | 0.024297   |   0.0 |  0.06
Output  | 4.6367e-05 | 4.6367e-05 | 4.6367e-05 |   0.0 |  0.00
Modify  | 0.061991   | 0.061991   | 0.061991   |   0.0 |  0.14
Other   |            | 0.006808   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515926 ave      515926 max      515926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515926
Ave neighs/atom = 257.963
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.744926494128, Press = 2.6741444211428
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     62000  -25195.402     -25195.402     -25276.602     -25276.602      314.25394      314.25394      14956.263      14956.263     -4385.5564     -4385.5564    
     63000  -25193.019     -25193.019     -25276.4       -25276.4        322.69164      322.69164      14944.315      14944.315      1976.1427      1976.1427    
Loop time of 43.1214 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.004 ns/day, 11.978 hours/ns, 23.190 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.028     | 43.028     | 43.028     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024437   | 0.024437   | 0.024437   |   0.0 |  0.06
Output  | 4.265e-05  | 4.265e-05  | 4.265e-05  |   0.0 |  0.00
Modify  | 0.061874   | 0.061874   | 0.061874   |   0.0 |  0.14
Other   |            | 0.006808   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515942 ave      515942 max      515942 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515942
Ave neighs/atom = 257.971
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.743387214711, Press = 2.95967640411537
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     63000  -25193.019     -25193.019     -25276.4       -25276.4        322.69164      322.69164      14944.315      14944.315      1976.1427      1976.1427    
     64000  -25196.322     -25196.322     -25275.911     -25275.911      308.0192       308.0192       14941.493      14941.493      3125.0636      3125.0636    
Loop time of 43.1556 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.002 ns/day, 11.988 hours/ns, 23.172 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.063     | 43.063     | 43.063     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024297   | 0.024297   | 0.024297   |   0.0 |  0.06
Output  | 3.6749e-05 | 3.6749e-05 | 3.6749e-05 |   0.0 |  0.00
Modify  | 0.061893   | 0.061893   | 0.061893   |   0.0 |  0.14
Other   |            | 0.006807   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515910 ave      515910 max      515910 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515910
Ave neighs/atom = 257.955
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.772021095986, Press = 1.65877816113297
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     64000  -25196.322     -25196.322     -25275.911     -25275.911      308.0192       308.0192       14941.493      14941.493      3125.0636      3125.0636    
     65000  -25192.862     -25192.862     -25275.281     -25275.281      318.97235      318.97235      14951.617      14951.617     -1444.5264     -1444.5264    
Loop time of 43.1187 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.004 ns/day, 11.977 hours/ns, 23.192 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.026     | 43.026     | 43.026     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024375   | 0.024375   | 0.024375   |   0.0 |  0.06
Output  | 4.0637e-05 | 4.0637e-05 | 4.0637e-05 |   0.0 |  0.00
Modify  | 0.061763   | 0.061763   | 0.061763   |   0.0 |  0.14
Other   |            | 0.006822   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515914 ave      515914 max      515914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515914
Ave neighs/atom = 257.957
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.817573454839, Press = 1.25294885709633
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     65000  -25192.862     -25192.862     -25275.281     -25275.281      318.97235      318.97235      14951.617      14951.617     -1444.5264     -1444.5264    
     66000  -25193.476     -25193.476     -25275.149     -25275.149      316.0827       316.0827       14949.556      14949.556     -778.17087     -778.17087    
Loop time of 43.1123 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.004 ns/day, 11.976 hours/ns, 23.195 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.019     | 43.019     | 43.019     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024335   | 0.024335   | 0.024335   |   0.0 |  0.06
Output  | 4.8021e-05 | 4.8021e-05 | 4.8021e-05 |   0.0 |  0.00
Modify  | 0.061899   | 0.061899   | 0.061899   |   0.0 |  0.14
Other   |            | 0.006791   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515948 ave      515948 max      515948 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515948
Ave neighs/atom = 257.974
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.802899410957, Press = 2.54430434557041
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     66000  -25193.476     -25193.476     -25275.149     -25275.149      316.0827       316.0827       14949.556      14949.556     -778.17087     -778.17087    
     67000  -25195.664     -25195.664     -25277.977     -25277.977      318.5611       318.5611       14937.027      14937.027      4703.5468      4703.5468    
Loop time of 43.105 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.004 ns/day, 11.974 hours/ns, 23.199 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.012     | 43.012     | 43.012     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024275   | 0.024275   | 0.024275   |   0.0 |  0.06
Output  | 4.0036e-05 | 4.0036e-05 | 4.0036e-05 |   0.0 |  0.00
Modify  | 0.061831   | 0.061831   | 0.061831   |   0.0 |  0.14
Other   |            | 0.006801   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515932 ave      515932 max      515932 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515932
Ave neighs/atom = 257.966
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.796375782404, Press = 1.33121742147819
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     67000  -25195.664     -25195.664     -25277.977     -25277.977      318.5611       318.5611       14937.027      14937.027      4703.5468      4703.5468    
     68000  -25195.189     -25195.189     -25277.094     -25277.094      316.9837       316.9837       14956.614      14956.614     -4654.26       -4654.26      
Loop time of 43.0184 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.008 ns/day, 11.950 hours/ns, 23.246 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.925     | 42.925     | 42.925     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024424   | 0.024424   | 0.024424   |   0.0 |  0.06
Output  | 5.1597e-05 | 5.1597e-05 | 5.1597e-05 |   0.0 |  0.00
Modify  | 0.061766   | 0.061766   | 0.061766   |   0.0 |  0.14
Other   |            | 0.006766   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515956 ave      515956 max      515956 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515956
Ave neighs/atom = 257.978
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.802259541298, Press = -0.0705631489292853
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     68000  -25195.189     -25195.189     -25277.094     -25277.094      316.9837       316.9837       14956.614      14956.614     -4654.26       -4654.26      
     69000  -25192.585     -25192.585     -25273.855     -25273.855      314.52432      314.52432      14955.7        14955.7       -3338.1536     -3338.1536    
Loop time of 43.1034 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.004 ns/day, 11.973 hours/ns, 23.200 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.01      | 43.01      | 43.01      |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0245     | 0.0245     | 0.0245     |   0.0 |  0.06
Output  | 5.1868e-05 | 5.1868e-05 | 5.1868e-05 |   0.0 |  0.00
Modify  | 0.061773   | 0.061773   | 0.061773   |   0.0 |  0.14
Other   |            | 0.006797   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515930 ave      515930 max      515930 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515930
Ave neighs/atom = 257.965
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.806832422124, Press = 3.023776106987
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     69000  -25192.585     -25192.585     -25273.855     -25273.855      314.52432      314.52432      14955.7        14955.7       -3338.1536     -3338.1536    
     70000  -25197.015     -25197.015     -25276.301     -25276.301      306.84438      306.84438      14930.21       14930.21       8696.3528      8696.3528    
Loop time of 43.059 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.007 ns/day, 11.961 hours/ns, 23.224 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.965     | 42.965     | 42.965     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024848   | 0.024848   | 0.024848   |   0.0 |  0.06
Output  | 4.5035e-05 | 4.5035e-05 | 4.5035e-05 |   0.0 |  0.00
Modify  | 0.062185   | 0.062185   | 0.062185   |   0.0 |  0.14
Other   |            | 0.006864   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515930 ave      515930 max      515930 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515930
Ave neighs/atom = 257.965
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.815115733761, Press = 3.7085175373628
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     70000  -25197.015     -25197.015     -25276.301     -25276.301      306.84438      306.84438      14930.21       14930.21       8696.3528      8696.3528    
     71000  -25194.616     -25194.616     -25275.173     -25275.173      311.76556      311.76556      14938.429      14938.429      4515.7663      4515.7663    
Loop time of 43.0795 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.006 ns/day, 11.967 hours/ns, 23.213 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.987     | 42.987     | 42.987     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024271   | 0.024271   | 0.024271   |   0.0 |  0.06
Output  | 3.8703e-05 | 3.8703e-05 | 3.8703e-05 |   0.0 |  0.00
Modify  | 0.061923   | 0.061923   | 0.061923   |   0.0 |  0.14
Other   |            | 0.006811   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515932 ave      515932 max      515932 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515932
Ave neighs/atom = 257.966
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.805767697568, Press = -0.18370804604791
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     71000  -25194.616     -25194.616     -25275.173     -25275.173      311.76556      311.76556      14938.429      14938.429      4515.7663      4515.7663    
     72000  -25198.496     -25198.496     -25277.473     -25277.473      305.64895      305.64895      14949.599      14949.599     -1426.0933     -1426.0933    
Loop time of 43.1767 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.001 ns/day, 11.994 hours/ns, 23.161 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.083     | 43.083     | 43.083     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024793   | 0.024793   | 0.024793   |   0.0 |  0.06
Output  | 5.6005e-05 | 5.6005e-05 | 5.6005e-05 |   0.0 |  0.00
Modify  | 0.062316   | 0.062316   | 0.062316   |   0.0 |  0.14
Other   |            | 0.006874   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515932 ave      515932 max      515932 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515932
Ave neighs/atom = 257.966
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.802072420564, Press = 1.42473905800314
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     72000  -25198.496     -25198.496     -25277.473     -25277.473      305.64895      305.64895      14949.599      14949.599     -1426.0933     -1426.0933    
     73000  -25195.184     -25195.184     -25277.489     -25277.489      318.53105      318.53105      14950.883      14950.883     -1975.6225     -1975.6225    
Loop time of 43.3526 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.993 ns/day, 12.042 hours/ns, 23.067 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.259     | 43.259     | 43.259     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024376   | 0.024376   | 0.024376   |   0.0 |  0.06
Output  | 4.3321e-05 | 4.3321e-05 | 4.3321e-05 |   0.0 |  0.00
Modify  | 0.062322   | 0.062322   | 0.062322   |   0.0 |  0.14
Other   |            | 0.006819   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515918 ave      515918 max      515918 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515918
Ave neighs/atom = 257.959
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.786891349887, Press = 0.911239343161831
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     73000  -25195.184     -25195.184     -25277.489     -25277.489      318.53105      318.53105      14950.883      14950.883     -1975.6225     -1975.6225    
     74000  -25194.685     -25194.685     -25277.678     -25277.678      321.19032      321.19032      14955.75       14955.75      -4746.1126     -4746.1126    
Loop time of 43.1861 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.001 ns/day, 11.996 hours/ns, 23.156 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.092     | 43.092     | 43.092     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024665   | 0.024665   | 0.024665   |   0.0 |  0.06
Output  | 4.0476e-05 | 4.0476e-05 | 4.0476e-05 |   0.0 |  0.00
Modify  | 0.062199   | 0.062199   | 0.062199   |   0.0 |  0.14
Other   |            | 0.006858   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515920 ave      515920 max      515920 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515920
Ave neighs/atom = 257.96
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.746581805865, Press = 1.32788437462392
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     74000  -25194.685     -25194.685     -25277.678     -25277.678      321.19032      321.19032      14955.75       14955.75      -4746.1126     -4746.1126    
     75000  -25198.029     -25198.029     -25277.164     -25277.164      306.26132      306.26132      14953.126      14953.126     -3261.9149     -3261.9149    
Loop time of 43.3855 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.991 ns/day, 12.052 hours/ns, 23.049 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.292     | 43.292     | 43.292     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024405   | 0.024405   | 0.024405   |   0.0 |  0.06
Output  | 4.6788e-05 | 4.6788e-05 | 4.6788e-05 |   0.0 |  0.00
Modify  | 0.062241   | 0.062241   | 0.062241   |   0.0 |  0.14
Other   |            | 0.006828   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515942 ave      515942 max      515942 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515942
Ave neighs/atom = 257.971
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.734554546189, Press = 2.85467119450701
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     75000  -25198.029     -25198.029     -25277.164     -25277.164      306.26132      306.26132      14953.126      14953.126     -3261.9149     -3261.9149    
     76000  -25195.247     -25195.247     -25276.177     -25276.177      313.20685      313.20685      14932.372      14932.372      7508.8105      7508.8105    
Loop time of 43.1587 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.002 ns/day, 11.989 hours/ns, 23.170 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.065     | 43.065     | 43.065     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024379   | 0.024379   | 0.024379   |   0.0 |  0.06
Output  | 5.7579e-05 | 5.7579e-05 | 5.7579e-05 |   0.0 |  0.00
Modify  | 0.062407   | 0.062407   | 0.062407   |   0.0 |  0.14
Other   |            | 0.006842   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515924 ave      515924 max      515924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515924
Ave neighs/atom = 257.962
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.77233708841, Press = 2.53402120104249
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     76000  -25195.247     -25195.247     -25276.177     -25276.177      313.20685      313.20685      14932.372      14932.372      7508.8105      7508.8105    
     77000  -25193.558     -25193.558     -25273.916     -25273.916      310.99285      310.99285      14942.497      14942.497      3301.2707      3301.2707    
Loop time of 43.2608 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.997 ns/day, 12.017 hours/ns, 23.116 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.166     | 43.166     | 43.166     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02456    | 0.02456    | 0.02456    |   0.0 |  0.06
Output  | 5.4973e-05 | 5.4973e-05 | 5.4973e-05 |   0.0 |  0.00
Modify  | 0.062767   | 0.062767   | 0.062767   |   0.0 |  0.15
Other   |            | 0.006911   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515936 ave      515936 max      515936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515936
Ave neighs/atom = 257.968
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.779444064894, Press = 0.169571313893909
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     77000  -25193.558     -25193.558     -25273.916     -25273.916      310.99285      310.99285      14942.497      14942.497      3301.2707      3301.2707    
     78000  -25195.128     -25195.128     -25275.366     -25275.366      310.52863      310.52863      14956.86       14956.86      -4609.6396     -4609.6396    
Loop time of 43.195 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.000 ns/day, 11.999 hours/ns, 23.151 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.1       | 43.1       | 43.1       |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0253     | 0.0253     | 0.0253     |   0.0 |  0.06
Output  | 4.0156e-05 | 4.0156e-05 | 4.0156e-05 |   0.0 |  0.00
Modify  | 0.062755   | 0.062755   | 0.062755   |   0.0 |  0.15
Other   |            | 0.006947   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515898 ave      515898 max      515898 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515898
Ave neighs/atom = 257.949
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.813381748085, Press = 0.84200230417508
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     78000  -25195.128     -25195.128     -25275.366     -25275.366      310.52863      310.52863      14956.86       14956.86      -4609.6396     -4609.6396    
     79000  -25195.876     -25195.876     -25276.047     -25276.047      310.2712       310.2712       14948.504      14948.504     -672.10965     -672.10965    
Loop time of 43.3922 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.991 ns/day, 12.053 hours/ns, 23.046 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.298     | 43.298     | 43.298     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024483   | 0.024483   | 0.024483   |   0.0 |  0.06
Output  | 5.1888e-05 | 5.1888e-05 | 5.1888e-05 |   0.0 |  0.00
Modify  | 0.062533   | 0.062533   | 0.062533   |   0.0 |  0.14
Other   |            | 0.00685    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515948 ave      515948 max      515948 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515948
Ave neighs/atom = 257.974
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.800731633259, Press = 2.10483170567791
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     79000  -25195.876     -25195.876     -25276.047     -25276.047      310.2712       310.2712       14948.504      14948.504     -672.10965     -672.10965    
     80000  -25197.111     -25197.111     -25275.519     -25275.519      303.45056      303.45056      14945.285      14945.285      1335.4645      1335.4645    
Loop time of 43.3094 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.995 ns/day, 12.030 hours/ns, 23.090 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.216     | 43.216     | 43.216     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024388   | 0.024388   | 0.024388   |   0.0 |  0.06
Output  | 4.3281e-05 | 4.3281e-05 | 4.3281e-05 |   0.0 |  0.00
Modify  | 0.062389   | 0.062389   | 0.062389   |   0.0 |  0.14
Other   |            | 0.006862   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515952 ave      515952 max      515952 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515952
Ave neighs/atom = 257.976
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.802239678603, Press = 1.24771723250603
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     80000  -25197.111     -25197.111     -25275.519     -25275.519      303.45056      303.45056      14945.285      14945.285      1335.4645      1335.4645    
     81000  -25195.298     -25195.298     -25277.5       -25277.5        318.13115      318.13115      14946.612      14946.612      303.91782      303.91782    
Loop time of 43.3313 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.994 ns/day, 12.036 hours/ns, 23.078 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.238     | 43.238     | 43.238     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024344   | 0.024344   | 0.024344   |   0.0 |  0.06
Output  | 3.8302e-05 | 3.8302e-05 | 3.8302e-05 |   0.0 |  0.00
Modify  | 0.062372   | 0.062372   | 0.062372   |   0.0 |  0.14
Other   |            | 0.00688    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515922 ave      515922 max      515922 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515922
Ave neighs/atom = 257.961
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.759784690715, Press = 1.40957290387205
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     81000  -25195.298     -25195.298     -25277.5       -25277.5        318.13115      318.13115      14946.612      14946.612      303.91782      303.91782    
     82000  -25194.812     -25194.812     -25276.216     -25276.216      315.04116      315.04116      14949.839      14949.839     -1083.9483     -1083.9483    
Loop time of 43.162 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.002 ns/day, 11.989 hours/ns, 23.169 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.069     | 43.069     | 43.069     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0244     | 0.0244     | 0.0244     |   0.0 |  0.06
Output  | 6.1025e-05 | 6.1025e-05 | 6.1025e-05 |   0.0 |  0.00
Modify  | 0.062149   | 0.062149   | 0.062149   |   0.0 |  0.14
Other   |            | 0.006855   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515950 ave      515950 max      515950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515950
Ave neighs/atom = 257.975
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.744849322413, Press = 1.07427616782894
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     82000  -25194.812     -25194.812     -25276.216     -25276.216      315.04116      315.04116      14949.839      14949.839     -1083.9483     -1083.9483    
     83000  -25192.258     -25192.258     -25273.865     -25273.865      315.82516      315.82516      14947.447      14947.447      1129.6864      1129.6864    
Loop time of 43.0087 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.009 ns/day, 11.947 hours/ns, 23.251 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.916     | 42.916     | 42.916     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02423    | 0.02423    | 0.02423    |   0.0 |  0.06
Output  | 4.9713e-05 | 4.9713e-05 | 4.9713e-05 |   0.0 |  0.00
Modify  | 0.061897   | 0.061897   | 0.061897   |   0.0 |  0.14
Other   |            | 0.006814   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515942 ave      515942 max      515942 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515942
Ave neighs/atom = 257.971
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.736452786524, Press = 1.27388502857982
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     83000  -25192.258     -25192.258     -25273.865     -25273.865      315.82516      315.82516      14947.447      14947.447      1129.6864      1129.6864    
     84000  -25197.46      -25197.46      -25280.089     -25280.089      319.78304      319.78304      14947.925      14947.925     -488.26962     -488.26962    
Loop time of 43.0855 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.005 ns/day, 11.968 hours/ns, 23.210 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.992     | 42.992     | 42.992     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024324   | 0.024324   | 0.024324   |   0.0 |  0.06
Output  | 4.9032e-05 | 4.9032e-05 | 4.9032e-05 |   0.0 |  0.00
Modify  | 0.062317   | 0.062317   | 0.062317   |   0.0 |  0.14
Other   |            | 0.006873   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515910 ave      515910 max      515910 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515910
Ave neighs/atom = 257.955
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.737899456505, Press = 1.01396772950576
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     84000  -25197.46      -25197.46      -25280.089     -25280.089      319.78304      319.78304      14947.925      14947.925     -488.26962     -488.26962    
     85000  -25193.007     -25193.007     -25277.417     -25277.417      326.67342      326.67342      14945.196      14945.196      1649.9356      1649.9356    
Loop time of 43.2482 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.998 ns/day, 12.013 hours/ns, 23.122 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.154     | 43.154     | 43.154     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024714   | 0.024714   | 0.024714   |   0.0 |  0.06
Output  | 4.0826e-05 | 4.0826e-05 | 4.0826e-05 |   0.0 |  0.00
Modify  | 0.062629   | 0.062629   | 0.062629   |   0.0 |  0.14
Other   |            | 0.006896   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515914 ave      515914 max      515914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515914
Ave neighs/atom = 257.957
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.726758633022, Press = 1.14459707504117
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     85000  -25193.007     -25193.007     -25277.417     -25277.417      326.67342      326.67342      14945.196      14945.196      1649.9356      1649.9356    
     86000  -25197.827     -25197.827     -25279.092     -25279.092      314.50672      314.50672      14953.474      14953.474     -3067.7443     -3067.7443    
Loop time of 43.1932 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.000 ns/day, 11.998 hours/ns, 23.152 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.099     | 43.099     | 43.099     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024747   | 0.024747   | 0.024747   |   0.0 |  0.06
Output  | 6.0503e-05 | 6.0503e-05 | 6.0503e-05 |   0.0 |  0.00
Modify  | 0.062539   | 0.062539   | 0.062539   |   0.0 |  0.14
Other   |            | 0.006918   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515894 ave      515894 max      515894 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515894
Ave neighs/atom = 257.947
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.724825664259, Press = -0.379602900833978
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     86000  -25197.827     -25197.827     -25279.092     -25279.092      314.50672      314.50672      14953.474      14953.474     -3067.7443     -3067.7443    
     87000  -25195.916     -25195.916     -25276.088     -25276.088      310.27475      310.27475      14968.917      14968.917     -10150.082     -10150.082    
Loop time of 43.2476 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.998 ns/day, 12.013 hours/ns, 23.123 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.154     | 43.154     | 43.154     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024554   | 0.024554   | 0.024554   |   0.0 |  0.06
Output  | 6.1165e-05 | 6.1165e-05 | 6.1165e-05 |   0.0 |  0.00
Modify  | 0.062482   | 0.062482   | 0.062482   |   0.0 |  0.14
Other   |            | 0.006851   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515932 ave      515932 max      515932 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515932
Ave neighs/atom = 257.966
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.676812428544, Press = 1.93308664442312
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     87000  -25195.916     -25195.916     -25276.088     -25276.088      310.27475      310.27475      14968.917      14968.917     -10150.082     -10150.082    
     88000  -25196.173     -25196.173     -25277.335     -25277.335      314.10748      314.10748      14935.72       14935.72       5579.2152      5579.2152    
Loop time of 43.2382 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.998 ns/day, 12.011 hours/ns, 23.128 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.145     | 43.145     | 43.145     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024442   | 0.024442   | 0.024442   |   0.0 |  0.06
Output  | 3.6188e-05 | 3.6188e-05 | 3.6188e-05 |   0.0 |  0.00
Modify  | 0.062232   | 0.062232   | 0.062232   |   0.0 |  0.14
Other   |            | 0.006853   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515908 ave      515908 max      515908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515908
Ave neighs/atom = 257.954
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.679329812421, Press = 2.36304995106213
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     88000  -25196.173     -25196.173     -25277.335     -25277.335      314.10748      314.10748      14935.72       14935.72       5579.2152      5579.2152    
     89000  -25193.528     -25193.528     -25275.043     -25275.043      315.46855      315.46855      14941.505      14941.505      3415.2026      3415.2026    
Loop time of 43.307 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.995 ns/day, 12.030 hours/ns, 23.091 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.213     | 43.213     | 43.213     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024475   | 0.024475   | 0.024475   |   0.0 |  0.06
Output  | 5.0385e-05 | 5.0385e-05 | 5.0385e-05 |   0.0 |  0.00
Modify  | 0.062483   | 0.062483   | 0.062483   |   0.0 |  0.14
Other   |            | 0.006904   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515944 ave      515944 max      515944 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515944
Ave neighs/atom = 257.972
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.654214072367, Press = 0.9171088081139
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     89000  -25193.528     -25193.528     -25275.043     -25275.043      315.46855      315.46855      14941.505      14941.505      3415.2026      3415.2026    
     90000  -25195.915     -25195.915     -25277.986     -25277.986      317.62371      317.62371      14949.502      14949.502     -961.02857     -961.02857    
Loop time of 43.2749 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.997 ns/day, 12.021 hours/ns, 23.108 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.181     | 43.181     | 43.181     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024421   | 0.024421   | 0.024421   |   0.0 |  0.06
Output  | 4.8401e-05 | 4.8401e-05 | 4.8401e-05 |   0.0 |  0.00
Modify  | 0.062403   | 0.062403   | 0.062403   |   0.0 |  0.14
Other   |            | 0.006904   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515938 ave      515938 max      515938 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515938
Ave neighs/atom = 257.969
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.659982645189, Press = -0.159490763850342
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     90000  -25195.915     -25195.915     -25277.986     -25277.986      317.62371      317.62371      14949.502      14949.502     -961.02857     -961.02857    
     91000  -25194.906     -25194.906     -25273.74      -25273.74       305.09728      305.09728      14971.924      14971.924     -10926.08      -10926.08     
Loop time of 43.2217 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.999 ns/day, 12.006 hours/ns, 23.137 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.128     | 43.128     | 43.128     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024548   | 0.024548   | 0.024548   |   0.0 |  0.06
Output  | 4.5696e-05 | 4.5696e-05 | 4.5696e-05 |   0.0 |  0.00
Modify  | 0.062594   | 0.062594   | 0.062594   |   0.0 |  0.14
Other   |            | 0.006901   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515912 ave      515912 max      515912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515912
Ave neighs/atom = 257.956
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.674830991883, Press = 0.94083900667767
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     91000  -25194.906     -25194.906     -25273.74      -25273.74       305.09728      305.09728      14971.924      14971.924     -10926.08      -10926.08     
     92000  -25196.793     -25196.793     -25276.787     -25276.787      309.58693      309.58693      14944.726      14944.726      1248.1709      1248.1709    
Loop time of 43.3692 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.992 ns/day, 12.047 hours/ns, 23.058 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.274     | 43.274     | 43.274     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025181   | 0.025181   | 0.025181   |   0.0 |  0.06
Output  | 5.0265e-05 | 5.0265e-05 | 5.0265e-05 |   0.0 |  0.00
Modify  | 0.063055   | 0.063055   | 0.063055   |   0.0 |  0.15
Other   |            | 0.007134   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515902 ave      515902 max      515902 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515902
Ave neighs/atom = 257.951
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.672632921677, Press = 2.80102297490494
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     92000  -25196.793     -25196.793     -25276.787     -25276.787      309.58693      309.58693      14944.726      14944.726      1248.1709      1248.1709    
     93000  -25198.229     -25198.229     -25277.153     -25277.153      305.44412      305.44412      14943.09       14943.09       1974.7502      1974.7502    
Loop time of 43.524 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.985 ns/day, 12.090 hours/ns, 22.976 timesteps/s
99.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.429     | 43.429     | 43.429     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025138   | 0.025138   | 0.025138   |   0.0 |  0.06
Output  | 7.7956e-05 | 7.7956e-05 | 7.7956e-05 |   0.0 |  0.00
Modify  | 0.062674   | 0.062674   | 0.062674   |   0.0 |  0.14
Other   |            | 0.007077   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515932 ave      515932 max      515932 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515932
Ave neighs/atom = 257.966
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.676640851645, Press = 1.17842530555919
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     93000  -25198.229     -25198.229     -25277.153     -25277.153      305.44412      305.44412      14943.09       14943.09       1974.7502      1974.7502    
     94000  -25194.722     -25194.722     -25277.73      -25277.73       321.25162      321.25162      14943.746      14943.746      1551.0057      1551.0057    
Loop time of 43.596 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.982 ns/day, 12.110 hours/ns, 22.938 timesteps/s
99.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.5       | 43.5       | 43.5       |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025289   | 0.025289   | 0.025289   |   0.0 |  0.06
Output  | 4.786e-05  | 4.786e-05  | 4.786e-05  |   0.0 |  0.00
Modify  | 0.062942   | 0.062942   | 0.062942   |   0.0 |  0.14
Other   |            | 0.007216   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515930 ave      515930 max      515930 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515930
Ave neighs/atom = 257.965
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.649385901421, Press = 0.941831356436636
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     94000  -25194.722     -25194.722     -25277.73      -25277.73       321.25162      321.25162      14943.746      14943.746      1551.0057      1551.0057    
     95000  -25200.41      -25200.41      -25277.109     -25277.109      296.83355      296.83355      14947.424      14947.424     -366.7812      -366.7812     
Loop time of 43.4493 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.989 ns/day, 12.069 hours/ns, 23.015 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.355     | 43.355     | 43.355     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024708   | 0.024708   | 0.024708   |   0.0 |  0.06
Output  | 4.5185e-05 | 4.5185e-05 | 4.5185e-05 |   0.0 |  0.00
Modify  | 0.062303   | 0.062303   | 0.062303   |   0.0 |  0.14
Other   |            | 0.007065   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515948 ave      515948 max      515948 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515948
Ave neighs/atom = 257.974
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.635151029129, Press = 0.7431718291476
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     95000  -25200.41      -25200.41      -25277.109     -25277.109      296.83355      296.83355      14947.424      14947.424     -366.7812      -366.7812     
     96000  -25194.462     -25194.462     -25275.432     -25275.432      313.36324      313.36324      14956.898      14956.898     -4352.8763     -4352.8763    
Loop time of 43.5014 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.986 ns/day, 12.084 hours/ns, 22.988 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.407     | 43.407     | 43.407     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024873   | 0.024873   | 0.024873   |   0.0 |  0.06
Output  | 4.8501e-05 | 4.8501e-05 | 4.8501e-05 |   0.0 |  0.00
Modify  | 0.062313   | 0.062313   | 0.062313   |   0.0 |  0.14
Other   |            | 0.007077   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515926 ave      515926 max      515926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515926
Ave neighs/atom = 257.963
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.624409075612, Press = 1.87274898427828
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     96000  -25194.462     -25194.462     -25275.432     -25275.432      313.36324      313.36324      14956.898      14956.898     -4352.8763     -4352.8763    
     97000  -25194.508     -25194.508     -25275.767     -25275.767      314.47811      314.47811      14928.666      14928.666      9491.0038      9491.0038    
Loop time of 43.492 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.987 ns/day, 12.081 hours/ns, 22.993 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.398     | 43.398     | 43.398     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024926   | 0.024926   | 0.024926   |   0.0 |  0.06
Output  | 4.4774e-05 | 4.4774e-05 | 4.4774e-05 |   0.0 |  0.00
Modify  | 0.062374   | 0.062374   | 0.062374   |   0.0 |  0.14
Other   |            | 0.007043   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515918 ave      515918 max      515918 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515918
Ave neighs/atom = 257.959
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.627450661368, Press = 1.81365403989746
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     97000  -25194.508     -25194.508     -25275.767     -25275.767      314.47811      314.47811      14928.666      14928.666      9491.0038      9491.0038    
     98000  -25196.408     -25196.408     -25275.813     -25275.813      307.30376      307.30376      14942.514      14942.514      2338.71        2338.71      
Loop time of 43.3512 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.993 ns/day, 12.042 hours/ns, 23.067 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.256     | 43.256     | 43.256     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024998   | 0.024998   | 0.024998   |   0.0 |  0.06
Output  | 4.7208e-05 | 4.7208e-05 | 4.7208e-05 |   0.0 |  0.00
Modify  | 0.062657   | 0.062657   | 0.062657   |   0.0 |  0.14
Other   |            | 0.00709    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515930 ave      515930 max      515930 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515930
Ave neighs/atom = 257.965
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.665650003628, Press = 0.225569739300373
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     98000  -25196.408     -25196.408     -25275.813     -25275.813      307.30376      307.30376      14942.514      14942.514      2338.71        2338.71      
     99000  -25194.735     -25194.735     -25275.225     -25275.225      311.50409      311.50409      14960.913      14960.913     -5907.8662     -5907.8662    
Loop time of 43.1685 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.001 ns/day, 11.991 hours/ns, 23.165 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.074     | 43.074     | 43.074     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024656   | 0.024656   | 0.024656   |   0.0 |  0.06
Output  | 4.4784e-05 | 4.4784e-05 | 4.4784e-05 |   0.0 |  0.00
Modify  | 0.062382   | 0.062382   | 0.062382   |   0.0 |  0.14
Other   |            | 0.007056   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515938 ave      515938 max      515938 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515938
Ave neighs/atom = 257.969
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.66336198739, Press = 0.32153868851256
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     99000  -25194.735     -25194.735     -25275.225     -25275.225      311.50409      311.50409      14960.913      14960.913     -5907.8662     -5907.8662    
    100000  -25198.085     -25198.085     -25277.021     -25277.021      305.48871      305.48871      14945.955      14945.955      349.68686      349.68686    
Loop time of 43.0878 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.005 ns/day, 11.969 hours/ns, 23.208 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.994     | 42.994     | 42.994     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024614   | 0.024614   | 0.024614   |   0.0 |  0.06
Output  | 4.6448e-05 | 4.6448e-05 | 4.6448e-05 |   0.0 |  0.00
Modify  | 0.062211   | 0.062211   | 0.062211   |   0.0 |  0.14
Other   |            | 0.007045   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515920 ave      515920 max      515920 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515920
Ave neighs/atom = 257.96
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.641850292278, Press = 1.56985293348474
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    100000  -25198.085     -25198.085     -25277.021     -25277.021      305.48871      305.48871      14945.955      14945.955      349.68686      349.68686    
    101000  -25195.996     -25195.996     -25274.319     -25274.319      303.11661      303.11661      14947.496      14947.496      47.8189        47.8189      
Loop time of 43.1529 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.002 ns/day, 11.987 hours/ns, 23.173 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.059     | 43.059     | 43.059     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024594   | 0.024594   | 0.024594   |   0.0 |  0.06
Output  | 4.5015e-05 | 4.5015e-05 | 4.5015e-05 |   0.0 |  0.00
Modify  | 0.062347   | 0.062347   | 0.062347   |   0.0 |  0.14
Other   |            | 0.007055   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515934 ave      515934 max      515934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515934
Ave neighs/atom = 257.967
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.652016488857, Press = 0.778347903947582
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    101000  -25195.996     -25195.996     -25274.319     -25274.319      303.11661      303.11661      14947.496      14947.496      47.8189        47.8189      
    102000  -25197.762     -25197.762     -25275.949     -25275.949      302.5936       302.5936       14952.613      14952.613     -2514.942      -2514.942     
Loop time of 43.1993 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.000 ns/day, 12.000 hours/ns, 23.149 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.105     | 43.105     | 43.105     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024591   | 0.024591   | 0.024591   |   0.0 |  0.06
Output  | 3.7901e-05 | 3.7901e-05 | 3.7901e-05 |   0.0 |  0.00
Modify  | 0.062253   | 0.062253   | 0.062253   |   0.0 |  0.14
Other   |            | 0.007017   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515922 ave      515922 max      515922 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515922
Ave neighs/atom = 257.961
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.646736511864, Press = 0.329214051762361
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    102000  -25197.762     -25197.762     -25275.949     -25275.949      302.5936       302.5936       14952.613      14952.613     -2514.942      -2514.942     
    103000  -25193.748     -25193.748     -25274.622     -25274.622      312.99437      312.99437      14956.782      14956.782     -3958.3207     -3958.3207    
Loop time of 42.9809 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.010 ns/day, 11.939 hours/ns, 23.266 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.887     | 42.887     | 42.887     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02452    | 0.02452    | 0.02452    |   0.0 |  0.06
Output  | 6.7667e-05 | 6.7667e-05 | 6.7667e-05 |   0.0 |  0.00
Modify  | 0.062249   | 0.062249   | 0.062249   |   0.0 |  0.14
Other   |            | 0.007023   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515912 ave      515912 max      515912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515912
Ave neighs/atom = 257.956
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.649586912008, Press = 1.0209537674379
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    103000  -25193.748     -25193.748     -25274.622     -25274.622      312.99437      312.99437      14956.782      14956.782     -3958.3207     -3958.3207    
    104000  -25196.557     -25196.557     -25277.337     -25277.337      312.62832      312.62832      14940.033      14940.033      3406.5371      3406.5371    
Loop time of 43.2287 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.999 ns/day, 12.008 hours/ns, 23.133 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.135     | 43.135     | 43.135     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024633   | 0.024633   | 0.024633   |   0.0 |  0.06
Output  | 4.6247e-05 | 4.6247e-05 | 4.6247e-05 |   0.0 |  0.00
Modify  | 0.062349   | 0.062349   | 0.062349   |   0.0 |  0.14
Other   |            | 0.007073   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515878 ave      515878 max      515878 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515878
Ave neighs/atom = 257.939
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.686139048567, Press = 1.51677545059403
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    104000  -25196.557     -25196.557     -25277.337     -25277.337      312.62832      312.62832      14940.033      14940.033      3406.5371      3406.5371    
    105000  -25194.269     -25194.269     -25275.581     -25275.581      314.68724      314.68724      14940.654      14940.654      3281.7324      3281.7324    
Loop time of 43.3432 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.993 ns/day, 12.040 hours/ns, 23.072 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.249     | 43.249     | 43.249     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024754   | 0.024754   | 0.024754   |   0.0 |  0.06
Output  | 4.1338e-05 | 4.1338e-05 | 4.1338e-05 |   0.0 |  0.00
Modify  | 0.062244   | 0.062244   | 0.062244   |   0.0 |  0.14
Other   |            | 0.007021   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515950 ave      515950 max      515950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515950
Ave neighs/atom = 257.975
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.687873848815, Press = 0.273279258630459
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    105000  -25194.269     -25194.269     -25275.581     -25275.581      314.68724      314.68724      14940.654      14940.654      3281.7324      3281.7324    
    106000  -25195.4       -25195.4       -25277.265     -25277.265      316.82461      316.82461      14952.549      14952.549     -2560.2446     -2560.2446    
Loop time of 43.0418 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.007 ns/day, 11.956 hours/ns, 23.233 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.948     | 42.948     | 42.948     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024629   | 0.024629   | 0.024629   |   0.0 |  0.06
Output  | 3.8021e-05 | 3.8021e-05 | 3.8021e-05 |   0.0 |  0.00
Modify  | 0.062139   | 0.062139   | 0.062139   |   0.0 |  0.14
Other   |            | 0.007037   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515922 ave      515922 max      515922 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515922
Ave neighs/atom = 257.961
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.662916979886, Press = 0.27522368366422
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    106000  -25195.4       -25195.4       -25277.265     -25277.265      316.82461      316.82461      14952.549      14952.549     -2560.2446     -2560.2446    
    107000  -25197.584     -25197.584     -25275.508     -25275.508      301.57607      301.57607      14962.914      14962.914     -7137.3952     -7137.3952    
Loop time of 43.1778 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.001 ns/day, 11.994 hours/ns, 23.160 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.084     | 43.084     | 43.084     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024604   | 0.024604   | 0.024604   |   0.0 |  0.06
Output  | 4.6387e-05 | 4.6387e-05 | 4.6387e-05 |   0.0 |  0.00
Modify  | 0.062325   | 0.062325   | 0.062325   |   0.0 |  0.14
Other   |            | 0.007017   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515890 ave      515890 max      515890 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515890
Ave neighs/atom = 257.945
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.652915346717, Press = 1.20046555576534
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    107000  -25197.584     -25197.584     -25275.508     -25275.508      301.57607      301.57607      14962.914      14962.914     -7137.3952     -7137.3952    
    108000  -25194.63      -25194.63      -25274.762     -25274.762      310.11678      310.11678      14935.865      14935.865      6253.8709      6253.8709    
Loop time of 43.1187 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.004 ns/day, 11.977 hours/ns, 23.192 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.024     | 43.024     | 43.024     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024734   | 0.024734   | 0.024734   |   0.0 |  0.06
Output  | 6.376e-05  | 6.376e-05  | 6.376e-05  |   0.0 |  0.00
Modify  | 0.06248    | 0.06248    | 0.06248    |   0.0 |  0.14
Other   |            | 0.007024   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515874 ave      515874 max      515874 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515874
Ave neighs/atom = 257.937
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.631281262903, Press = 2.52753374984065
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    108000  -25194.63      -25194.63      -25274.762     -25274.762      310.11678      310.11678      14935.865      14935.865      6253.8709      6253.8709    
    109000  -25199.136     -25199.136     -25279.622     -25279.622      311.4897       311.4897       14938.712      14938.712      3290.2759      3290.2759    
Loop time of 43.1269 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.003 ns/day, 11.980 hours/ns, 23.187 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.033     | 43.033     | 43.033     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024721   | 0.024721   | 0.024721   |   0.0 |  0.06
Output  | 3.8943e-05 | 3.8943e-05 | 3.8943e-05 |   0.0 |  0.00
Modify  | 0.062327   | 0.062327   | 0.062327   |   0.0 |  0.14
Other   |            | 0.007021   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515916 ave      515916 max      515916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515916
Ave neighs/atom = 257.958
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.628216233787, Press = 0.638235247260825
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    109000  -25199.136     -25199.136     -25279.622     -25279.622      311.4897       311.4897       14938.712      14938.712      3290.2759      3290.2759    
    110000  -25193.097     -25193.097     -25273.212     -25273.212      310.05646      310.05646      14951.615      14951.615     -525.67648     -525.67648    
Loop time of 43.1731 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.001 ns/day, 11.993 hours/ns, 23.163 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.079     | 43.079     | 43.079     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024755   | 0.024755   | 0.024755   |   0.0 |  0.06
Output  | 4.815e-05  | 4.815e-05  | 4.815e-05  |   0.0 |  0.00
Modify  | 0.062476   | 0.062476   | 0.062476   |   0.0 |  0.14
Other   |            | 0.007049   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515938 ave      515938 max      515938 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515938
Ave neighs/atom = 257.969
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.609104338123, Press = 0.373934700745241
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    110000  -25193.097     -25193.097     -25273.212     -25273.212      310.05646      310.05646      14951.615      14951.615     -525.67648     -525.67648    
    111000  -25195.307     -25195.307     -25277.03      -25277.03       316.27406      316.27406      14952.052      14952.052     -2081.9228     -2081.9228    
Loop time of 43.1279 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.003 ns/day, 11.980 hours/ns, 23.187 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.033     | 43.033     | 43.033     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024846   | 0.024846   | 0.024846   |   0.0 |  0.06
Output  | 9.1241e-05 | 9.1241e-05 | 9.1241e-05 |   0.0 |  0.00
Modify  | 0.062453   | 0.062453   | 0.062453   |   0.0 |  0.14
Other   |            | 0.007029   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515874 ave      515874 max      515874 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515874
Ave neighs/atom = 257.937
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.625707120301, Press = 0.801473521291278
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    111000  -25195.307     -25195.307     -25277.03      -25277.03       316.27406      316.27406      14952.052      14952.052     -2081.9228     -2081.9228    
    112000  -25192.558     -25192.558     -25276.835     -25276.835      326.16064      326.16064      14947.36       14947.36       392.56194      392.56194    
Loop time of 43.233 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.998 ns/day, 12.009 hours/ns, 23.130 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.139     | 43.139     | 43.139     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024696   | 0.024696   | 0.024696   |   0.0 |  0.06
Output  | 4.3081e-05 | 4.3081e-05 | 4.3081e-05 |   0.0 |  0.00
Modify  | 0.062327   | 0.062327   | 0.062327   |   0.0 |  0.14
Other   |            | 0.007045   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515910 ave      515910 max      515910 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515910
Ave neighs/atom = 257.955
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.656362725141, Press = 0.471948626592478
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    112000  -25192.558     -25192.558     -25276.835     -25276.835      326.16064      326.16064      14947.36       14947.36       392.56194      392.56194    
    113000  -25194.809     -25194.809     -25275.601     -25275.601      312.67444      312.67444      14954.163      14954.163     -2852.6335     -2852.6335    
Loop time of 43.2462 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.998 ns/day, 12.013 hours/ns, 23.123 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.152     | 43.152     | 43.152     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024711   | 0.024711   | 0.024711   |   0.0 |  0.06
Output  | 4.7409e-05 | 4.7409e-05 | 4.7409e-05 |   0.0 |  0.00
Modify  | 0.062465   | 0.062465   | 0.062465   |   0.0 |  0.14
Other   |            | 0.007006   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515930 ave      515930 max      515930 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515930
Ave neighs/atom = 257.965
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.649144875998, Press = 1.01600054594134
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    113000  -25194.809     -25194.809     -25275.601     -25275.601      312.67444      312.67444      14954.163      14954.163     -2852.6335     -2852.6335    
    114000  -25197.171     -25197.171     -25277.148     -25277.148      309.51924      309.51924      14936.932      14936.932      5083.269       5083.269     
Loop time of 43.146 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.003 ns/day, 11.985 hours/ns, 23.177 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.052     | 43.052     | 43.052     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024866   | 0.024866   | 0.024866   |   0.0 |  0.06
Output  | 4.0836e-05 | 4.0836e-05 | 4.0836e-05 |   0.0 |  0.00
Modify  | 0.062156   | 0.062156   | 0.062156   |   0.0 |  0.14
Other   |            | 0.006897   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515932 ave      515932 max      515932 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515932
Ave neighs/atom = 257.966
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.665500302832, Press = 1.31605204661552
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    114000  -25197.171     -25197.171     -25277.148     -25277.148      309.51924      309.51924      14936.932      14936.932      5083.269       5083.269     
    115000  -25192.683     -25192.683     -25276.615     -25276.615      324.8259       324.8259       14943.691      14943.691      2498.9708      2498.9708    
Loop time of 43.3254 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.994 ns/day, 12.035 hours/ns, 23.081 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.231     | 43.231     | 43.231     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024913   | 0.024913   | 0.024913   |   0.0 |  0.06
Output  | 4.4373e-05 | 4.4373e-05 | 4.4373e-05 |   0.0 |  0.00
Modify  | 0.062423   | 0.062423   | 0.062423   |   0.0 |  0.14
Other   |            | 0.006957   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515930 ave      515930 max      515930 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515930
Ave neighs/atom = 257.965
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.670944517166, Press = -0.226816845703284
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    115000  -25192.683     -25192.683     -25276.615     -25276.615      324.8259       324.8259       14943.691      14943.691      2498.9708      2498.9708    
    116000  -25197.526     -25197.526     -25278.203     -25278.203      312.22831      312.22831      14961.07       14961.07      -6961.7572     -6961.7572    
Loop time of 43.2483 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.998 ns/day, 12.013 hours/ns, 23.122 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.154     | 43.154     | 43.154     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024686   | 0.024686   | 0.024686   |   0.0 |  0.06
Output  | 4.833e-05  | 4.833e-05  | 4.833e-05  |   0.0 |  0.00
Modify  | 0.062329   | 0.062329   | 0.062329   |   0.0 |  0.14
Other   |            | 0.00698    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515928 ave      515928 max      515928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515928
Ave neighs/atom = 257.964
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.663632815084, Press = 0.301357122204964
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    116000  -25197.526     -25197.526     -25278.203     -25278.203      312.22831      312.22831      14961.07       14961.07      -6961.7572     -6961.7572    
    117000  -25193.926     -25193.926     -25275.133     -25275.133      314.27866      314.27866      14951.994      14951.994     -1550.1168     -1550.1168    
Loop time of 43.2221 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.999 ns/day, 12.006 hours/ns, 23.136 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.128     | 43.128     | 43.128     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024649   | 0.024649   | 0.024649   |   0.0 |  0.06
Output  | 3.2972e-05 | 3.2972e-05 | 3.2972e-05 |   0.0 |  0.00
Modify  | 0.062162   | 0.062162   | 0.062162   |   0.0 |  0.14
Other   |            | 0.006922   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515908 ave      515908 max      515908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515908
Ave neighs/atom = 257.954
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.625474301879, Press = 1.14668474835004
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    117000  -25193.926     -25193.926     -25275.133     -25275.133      314.27866      314.27866      14951.994      14951.994     -1550.1168     -1550.1168    
    118000  -25197.548     -25197.548     -25277.228     -25277.228      308.36968      308.36968      14940.186      14940.186      3743.7208      3743.7208    
Loop time of 43.1666 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.002 ns/day, 11.991 hours/ns, 23.166 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.072     | 43.072     | 43.072     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025024   | 0.025024   | 0.025024   |   0.0 |  0.06
Output  | 4.0045e-05 | 4.0045e-05 | 4.0045e-05 |   0.0 |  0.00
Modify  | 0.062505   | 0.062505   | 0.062505   |   0.0 |  0.14
Other   |            | 0.00699    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515926 ave      515926 max      515926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515926
Ave neighs/atom = 257.963
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.631896437066, Press = 0.934021041588532
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    118000  -25197.548     -25197.548     -25277.228     -25277.228      308.36968      308.36968      14940.186      14940.186      3743.7208      3743.7208    
    119000  -25189.205     -25189.205     -25274.829     -25274.829      331.37396      331.37396      14953.455      14953.455     -1657.2661     -1657.2661    
Loop time of 43.1989 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.000 ns/day, 12.000 hours/ns, 23.149 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.105     | 43.105     | 43.105     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024785   | 0.024785   | 0.024785   |   0.0 |  0.06
Output  | 0.00014285 | 0.00014285 | 0.00014285 |   0.0 |  0.00
Modify  | 0.06223    | 0.06223    | 0.06223    |   0.0 |  0.14
Other   |            | 0.006956   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515924 ave      515924 max      515924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515924
Ave neighs/atom = 257.962
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.651984442974, Press = -0.108338447266235
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    119000  -25189.205     -25189.205     -25274.829     -25274.829      331.37396      331.37396      14953.455      14953.455     -1657.2661     -1657.2661    
    120000  -25196.572     -25196.572     -25276.802     -25276.802      310.49467      310.49467      14958.584      14958.584     -5127.5764     -5127.5764    
Loop time of 42.9966 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.009 ns/day, 11.943 hours/ns, 23.258 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.903     | 42.903     | 42.903     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024481   | 0.024481   | 0.024481   |   0.0 |  0.06
Output  | 3.2251e-05 | 3.2251e-05 | 3.2251e-05 |   0.0 |  0.00
Modify  | 0.061891   | 0.061891   | 0.061891   |   0.0 |  0.14
Other   |            | 0.006858   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515910 ave      515910 max      515910 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515910
Ave neighs/atom = 257.955
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.66376380291, Press = 0.708434218014768
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    120000  -25196.572     -25196.572     -25276.802     -25276.802      310.49467      310.49467      14958.584      14958.584     -5127.5764     -5127.5764    
    121000  -25199.251     -25199.251     -25280.147     -25280.147      313.07549      313.07549      14939.594      14939.594      2932.3335      2932.3335    
Loop time of 43.2773 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.996 ns/day, 12.021 hours/ns, 23.107 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.184     | 43.184     | 43.184     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024709   | 0.024709   | 0.024709   |   0.0 |  0.06
Output  | 3.3232e-05 | 3.3232e-05 | 3.3232e-05 |   0.0 |  0.00
Modify  | 0.062065   | 0.062065   | 0.062065   |   0.0 |  0.14
Other   |            | 0.006899   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515906 ave      515906 max      515906 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515906
Ave neighs/atom = 257.953
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.660226908218, Press = 1.99554264889542
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    121000  -25199.251     -25199.251     -25280.147     -25280.147      313.07549      313.07549      14939.594      14939.594      2932.3335      2932.3335    
    122000  -25194.434     -25194.434     -25276.747     -25276.747      318.56033      318.56033      14921.293      14921.293      13233.091      13233.091    
Loop time of 43.2222 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.999 ns/day, 12.006 hours/ns, 23.136 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.129     | 43.129     | 43.129     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024396   | 0.024396   | 0.024396   |   0.0 |  0.06
Output  | 2.8553e-05 | 2.8553e-05 | 2.8553e-05 |   0.0 |  0.00
Modify  | 0.061981   | 0.061981   | 0.061981   |   0.0 |  0.14
Other   |            | 0.006779   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515938 ave      515938 max      515938 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515938
Ave neighs/atom = 257.969
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.647256120381, Press = 0.581529689486479
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    122000  -25194.434     -25194.434     -25276.747     -25276.747      318.56033      318.56033      14921.293      14921.293      13233.091      13233.091    
    123000  -25197.104     -25197.104     -25277.588     -25277.588      311.48004      311.48004      14948.413      14948.413     -806.85147     -806.85147    
Loop time of 42.9536 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.011 ns/day, 11.932 hours/ns, 23.281 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.861     | 42.861     | 42.861     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02413    | 0.02413    | 0.02413    |   0.0 |  0.06
Output  | 2.138e-05  | 2.138e-05  | 2.138e-05  |   0.0 |  0.00
Modify  | 0.061912   | 0.061912   | 0.061912   |   0.0 |  0.14
Other   |            | 0.006773   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515948 ave      515948 max      515948 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515948
Ave neighs/atom = 257.974
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.659167380225, Press = 0.073837028218142
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    123000  -25197.104     -25197.104     -25277.588     -25277.588      311.48004      311.48004      14948.413      14948.413     -806.85147     -806.85147    
    124000  -25193.394     -25193.394     -25274.483     -25274.483      313.82104      313.82104      14959.076      14959.076     -4982.1092     -4982.1092    
Loop time of 42.9866 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.010 ns/day, 11.941 hours/ns, 23.263 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.893     | 42.893     | 42.893     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024294   | 0.024294   | 0.024294   |   0.0 |  0.06
Output  | 3.3362e-05 | 3.3362e-05 | 3.3362e-05 |   0.0 |  0.00
Modify  | 0.062055   | 0.062055   | 0.062055   |   0.0 |  0.14
Other   |            | 0.006761   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515922 ave      515922 max      515922 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515922
Ave neighs/atom = 257.961
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.650900671593, Press = 0.732047968412938
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    124000  -25193.394     -25193.394     -25274.483     -25274.483      313.82104      313.82104      14959.076      14959.076     -4982.1092     -4982.1092    
    125000  -25195.92      -25195.92      -25276.039     -25276.039      310.0707       310.0707       14945.892      14945.892      761.88131      761.88131    
Loop time of 43.2319 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.999 ns/day, 12.009 hours/ns, 23.131 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.139     | 43.139     | 43.139     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024345   | 0.024345   | 0.024345   |   0.0 |  0.06
Output  | 5.1947e-05 | 5.1947e-05 | 5.1947e-05 |   0.0 |  0.00
Modify  | 0.062196   | 0.062196   | 0.062196   |   0.0 |  0.14
Other   |            | 0.006732   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515892 ave      515892 max      515892 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515892
Ave neighs/atom = 257.946
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.63593246296, Press = 1.44885989839783
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    125000  -25195.92      -25195.92      -25276.039     -25276.039      310.0707       310.0707       14945.892      14945.892      761.88131      761.88131    
    126000  -25192.006     -25192.006     -25273.214     -25273.214      314.28174      314.28174      14925.287      14925.287      11539.527      11539.527    
Loop time of 43.1816 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.001 ns/day, 11.995 hours/ns, 23.158 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.088     | 43.088     | 43.088     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02437    | 0.02437    | 0.02437    |   0.0 |  0.06
Output  | 2.3734e-05 | 2.3734e-05 | 2.3734e-05 |   0.0 |  0.00
Modify  | 0.062123   | 0.062123   | 0.062123   |   0.0 |  0.14
Other   |            | 0.006729   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515908 ave      515908 max      515908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515908
Ave neighs/atom = 257.954
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.634031463207, Press = 1.31977870545547
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    126000  -25192.006     -25192.006     -25273.214     -25273.214      314.28174      314.28174      14925.287      14925.287      11539.527      11539.527    
    127000  -25196.2       -25196.2       -25277.512     -25277.512      314.68534      314.68534      14944.518      14944.518      998.47075      998.47075    
Loop time of 43.135 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.003 ns/day, 11.982 hours/ns, 23.183 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.041     | 43.041     | 43.041     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024281   | 0.024281   | 0.024281   |   0.0 |  0.06
Output  | 0.00015038 | 0.00015038 | 0.00015038 |   0.0 |  0.00
Modify  | 0.062338   | 0.062338   | 0.062338   |   0.0 |  0.14
Other   |            | 0.006804   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515916 ave      515916 max      515916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515916
Ave neighs/atom = 257.958
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.654656961042, Press = -0.08116352640972
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    127000  -25196.2       -25196.2       -25277.512     -25277.512      314.68534      314.68534      14944.518      14944.518      998.47075      998.47075    
    128000  -25197.226     -25197.226     -25277.024     -25277.024      308.82628      308.82628      14950.038      14950.038     -2010.4073     -2010.4073    
Loop time of 43.1752 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.001 ns/day, 11.993 hours/ns, 23.161 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.082     | 43.082     | 43.082     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024332   | 0.024332   | 0.024332   |   0.0 |  0.06
Output  | 5.1687e-05 | 5.1687e-05 | 5.1687e-05 |   0.0 |  0.00
Modify  | 0.062196   | 0.062196   | 0.062196   |   0.0 |  0.14
Other   |            | 0.006734   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515944 ave      515944 max      515944 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515944
Ave neighs/atom = 257.972
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.668003470853, Press = 0.583777904089671
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    128000  -25197.226     -25197.226     -25277.024     -25277.024      308.82628      308.82628      14950.038      14950.038     -2010.4073     -2010.4073    
    129000  -25195.707     -25195.707     -25276.483     -25276.483      312.61156      312.61156      14955.541      14955.541     -4180.049      -4180.049     
Loop time of 43.3528 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.993 ns/day, 12.042 hours/ns, 23.067 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.259     | 43.259     | 43.259     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024538   | 0.024538   | 0.024538   |   0.0 |  0.06
Output  | 4.6648e-05 | 4.6648e-05 | 4.6648e-05 |   0.0 |  0.00
Modify  | 0.062408   | 0.062408   | 0.062408   |   0.0 |  0.14
Other   |            | 0.006806   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515938 ave      515938 max      515938 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515938
Ave neighs/atom = 257.969
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.648419342199, Press = 1.01388851921276
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    129000  -25195.707     -25195.707     -25276.483     -25276.483      312.61156      312.61156      14955.541      14955.541     -4180.049      -4180.049     
    130000  -25197.007     -25197.007     -25277.735     -25277.735      312.42276      312.42276      14934.754      14934.754      5492.9952      5492.9952    
Loop time of 43.0641 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.006 ns/day, 11.962 hours/ns, 23.221 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.971     | 42.971     | 42.971     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024358   | 0.024358   | 0.024358   |   0.0 |  0.06
Output  | 2.163e-05  | 2.163e-05  | 2.163e-05  |   0.0 |  0.00
Modify  | 0.061995   | 0.061995   | 0.061995   |   0.0 |  0.14
Other   |            | 0.00674    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515926 ave      515926 max      515926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515926
Ave neighs/atom = 257.963
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.644451691914, Press = 1.12349915705273
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    130000  -25197.007     -25197.007     -25277.735     -25277.735      312.42276      312.42276      14934.754      14934.754      5492.9952      5492.9952    
    131000  -25193.833     -25193.833     -25277.195     -25277.195      322.62097      322.62097      14934.169      14934.169      6606.1607      6606.1607    
Loop time of 43.142 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.003 ns/day, 11.984 hours/ns, 23.179 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.049     | 43.049     | 43.049     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024225   | 0.024225   | 0.024225   |   0.0 |  0.06
Output  | 4.2179e-05 | 4.2179e-05 | 4.2179e-05 |   0.0 |  0.00
Modify  | 0.062082   | 0.062082   | 0.062082   |   0.0 |  0.14
Other   |            | 0.00674    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515942 ave      515942 max      515942 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515942
Ave neighs/atom = 257.971
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.637037728767, Press = -0.712897277819318
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    131000  -25193.833     -25193.833     -25277.195     -25277.195      322.62097      322.62097      14934.169      14934.169      6606.1607      6606.1607    
    132000  -25196.006     -25196.006     -25277.109     -25277.109      313.87593      313.87593      14963.49       14963.49      -8087.6391     -8087.6391    
Loop time of 43.1117 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.004 ns/day, 11.975 hours/ns, 23.196 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.018     | 43.018     | 43.018     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024309   | 0.024309   | 0.024309   |   0.0 |  0.06
Output  | 3.2711e-05 | 3.2711e-05 | 3.2711e-05 |   0.0 |  0.00
Modify  | 0.062228   | 0.062228   | 0.062228   |   0.0 |  0.14
Other   |            | 0.006716   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515934 ave      515934 max      515934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515934
Ave neighs/atom = 257.967
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.641234568126, Press = 0.136990110964842
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    132000  -25196.006     -25196.006     -25277.109     -25277.109      313.87593      313.87593      14963.49       14963.49      -8087.6391     -8087.6391    
    133000  -25194.886     -25194.886     -25276.516     -25276.516      315.91899      315.91899      14946.64       14946.64       186.26032      186.26032    
Loop time of 43.2449 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.998 ns/day, 12.012 hours/ns, 23.124 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.151     | 43.151     | 43.151     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024461   | 0.024461   | 0.024461   |   0.0 |  0.06
Output  | 2.2933e-05 | 2.2933e-05 | 2.2933e-05 |   0.0 |  0.00
Modify  | 0.062199   | 0.062199   | 0.062199   |   0.0 |  0.14
Other   |            | 0.006744   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515920 ave      515920 max      515920 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515920
Ave neighs/atom = 257.96
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.667116724877, Press = 1.21676645797215
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    133000  -25194.886     -25194.886     -25276.516     -25276.516      315.91899      315.91899      14946.64       14946.64       186.26032      186.26032    
    134000  -25192.963     -25192.963     -25276.047     -25276.047      321.54355      321.54355      14940.196      14940.196      3728.7048      3728.7048    
Loop time of 43.2173 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.999 ns/day, 12.005 hours/ns, 23.139 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.124     | 43.124     | 43.124     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02448    | 0.02448    | 0.02448    |   0.0 |  0.06
Output  | 6.1586e-05 | 6.1586e-05 | 6.1586e-05 |   0.0 |  0.00
Modify  | 0.062341   | 0.062341   | 0.062341   |   0.0 |  0.14
Other   |            | 0.006757   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515936 ave      515936 max      515936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515936
Ave neighs/atom = 257.968
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.679310133907, Press = 0.776936774024143
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    134000  -25192.963     -25192.963     -25276.047     -25276.047      321.54355      321.54355      14940.196      14940.196      3728.7048      3728.7048    
    135000  -25196.337     -25196.337     -25276.497     -25276.497      310.22782      310.22782      14951.394      14951.394     -2133.6011     -2133.6011    
Loop time of 43.0758 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.006 ns/day, 11.966 hours/ns, 23.215 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.982     | 42.982     | 42.982     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02449    | 0.02449    | 0.02449    |   0.0 |  0.06
Output  | 4.6537e-05 | 4.6537e-05 | 4.6537e-05 |   0.0 |  0.00
Modify  | 0.06208    | 0.06208    | 0.06208    |   0.0 |  0.14
Other   |            | 0.006726   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515948 ave      515948 max      515948 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515948
Ave neighs/atom = 257.974
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.68324555836, Press = 0.181643636836429
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    135000  -25196.337     -25196.337     -25276.497     -25276.497      310.22782      310.22782      14951.394      14951.394     -2133.6011     -2133.6011    
    136000  -25194.241     -25194.241     -25275.759     -25275.759      315.48281      315.48281      14965.593      14965.593     -8518.5431     -8518.5431    
Loop time of 43.0139 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.009 ns/day, 11.948 hours/ns, 23.248 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.921     | 42.921     | 42.921     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024173   | 0.024173   | 0.024173   |   0.0 |  0.06
Output  | 3.3593e-05 | 3.3593e-05 | 3.3593e-05 |   0.0 |  0.00
Modify  | 0.06173    | 0.06173    | 0.06173    |   0.0 |  0.14
Other   |            | 0.006719   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515922 ave      515922 max      515922 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515922
Ave neighs/atom = 257.961
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.676089539027, Press = 0.76768020530122
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    136000  -25194.241     -25194.241     -25275.759     -25275.759      315.48281      315.48281      14965.593      14965.593     -8518.5431     -8518.5431    
    137000  -25198.079     -25198.079     -25275.978     -25275.978      301.47684      301.47684      14945.358      14945.358      685.33739      685.33739    
Loop time of 42.987 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.010 ns/day, 11.941 hours/ns, 23.263 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.894     | 42.894     | 42.894     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024181   | 0.024181   | 0.024181   |   0.0 |  0.06
Output  | 2.7862e-05 | 2.7862e-05 | 2.7862e-05 |   0.0 |  0.00
Modify  | 0.06169    | 0.06169    | 0.06169    |   0.0 |  0.14
Other   |            | 0.006704   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515888 ave      515888 max      515888 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515888
Ave neighs/atom = 257.944
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.658069408674, Press = 2.36138677921472
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    137000  -25198.079     -25198.079     -25275.978     -25275.978      301.47684      301.47684      14945.358      14945.358      685.33739      685.33739    
    138000  -25196.32      -25196.32      -25277.836     -25277.836      315.4783       315.4783       14929.014      14929.014      8158.2805      8158.2805    
Loop time of 43.0762 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.006 ns/day, 11.966 hours/ns, 23.215 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.983     | 42.983     | 42.983     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024296   | 0.024296   | 0.024296   |   0.0 |  0.06
Output  | 3.214e-05  | 3.214e-05  | 3.214e-05  |   0.0 |  0.00
Modify  | 0.061981   | 0.061981   | 0.061981   |   0.0 |  0.14
Other   |            | 0.006739   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515946 ave      515946 max      515946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515946
Ave neighs/atom = 257.973
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.656702539172, Press = 0.693467523495236
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    138000  -25196.32      -25196.32      -25277.836     -25277.836      315.4783       315.4783       14929.014      14929.014      8158.2805      8158.2805    
    139000  -25194.353     -25194.353     -25276.29      -25276.29       317.10338      317.10338      14949.033      14949.033     -1078.7305     -1078.7305    
Loop time of 43.245 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.998 ns/day, 12.013 hours/ns, 23.124 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.151     | 43.151     | 43.151     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024384   | 0.024384   | 0.024384   |   0.0 |  0.06
Output  | 4.6507e-05 | 4.6507e-05 | 4.6507e-05 |   0.0 |  0.00
Modify  | 0.062316   | 0.062316   | 0.062316   |   0.0 |  0.14
Other   |            | 0.006782   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515958 ave      515958 max      515958 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515958
Ave neighs/atom = 257.979
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.659574602925, Press = 0.215944353975535
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    139000  -25194.353     -25194.353     -25276.29      -25276.29       317.10338      317.10338      14949.033      14949.033     -1078.7305     -1078.7305    
    140000  -25196.972     -25196.972     -25276.782     -25276.782      308.8745       308.8745       14962.472      14962.472     -7447.5027     -7447.5027    
Loop time of 43.1282 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.003 ns/day, 11.980 hours/ns, 23.187 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.035     | 43.035     | 43.035     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024358   | 0.024358   | 0.024358   |   0.0 |  0.06
Output  | 2.9225e-05 | 2.9225e-05 | 2.9225e-05 |   0.0 |  0.00
Modify  | 0.062173   | 0.062173   | 0.062173   |   0.0 |  0.14
Other   |            | 0.006725   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515930 ave      515930 max      515930 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515930
Ave neighs/atom = 257.965
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.640581580867, Press = 0.76073979822184
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    140000  -25196.972     -25196.972     -25276.782     -25276.782      308.8745       308.8745       14962.472      14962.472     -7447.5027     -7447.5027    
    141000  -25195.568     -25195.568     -25276.784     -25276.784      314.31737      314.31737      14948.131      14948.131     -701.06554     -701.06554    
Loop time of 43.1199 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.004 ns/day, 11.978 hours/ns, 23.191 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.027     | 43.027     | 43.027     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024298   | 0.024298   | 0.024298   |   0.0 |  0.06
Output  | 2.9605e-05 | 2.9605e-05 | 2.9605e-05 |   0.0 |  0.00
Modify  | 0.06207    | 0.06207    | 0.06207    |   0.0 |  0.14
Other   |            | 0.006759   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515920 ave      515920 max      515920 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515920
Ave neighs/atom = 257.96
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.644519426699, Press = 1.29613506125643
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    141000  -25195.568     -25195.568     -25276.784     -25276.784      314.31737      314.31737      14948.131      14948.131     -701.06554     -701.06554    
    142000  -25198.432     -25198.432     -25277.135     -25277.135      304.58939      304.58939      14941.164      14941.164      2394.5927      2394.5927    
Loop time of 43.2348 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.998 ns/day, 12.010 hours/ns, 23.130 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.141     | 43.141     | 43.141     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024366   | 0.024366   | 0.024366   |   0.0 |  0.06
Output  | 2.8283e-05 | 2.8283e-05 | 2.8283e-05 |   0.0 |  0.00
Modify  | 0.062186   | 0.062186   | 0.062186   |   0.0 |  0.14
Other   |            | 0.006729   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515946 ave      515946 max      515946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515946
Ave neighs/atom = 257.973
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.623709414224, Press = 1.11010046829768
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    142000  -25198.432     -25198.432     -25277.135     -25277.135      304.58939      304.58939      14941.164      14941.164      2394.5927      2394.5927    
    143000  -25196.916     -25196.916     -25276.963     -25276.963      309.79225      309.79225      14942.977      14942.977      1555.3297      1555.3297    
Loop time of 43.0881 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.005 ns/day, 11.969 hours/ns, 23.208 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.995     | 42.995     | 42.995     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024298   | 0.024298   | 0.024298   |   0.0 |  0.06
Output  | 6.0974e-05 | 6.0974e-05 | 6.0974e-05 |   0.0 |  0.00
Modify  | 0.062123   | 0.062123   | 0.062123   |   0.0 |  0.14
Other   |            | 0.00675    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515950 ave      515950 max      515950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515950
Ave neighs/atom = 257.975
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.630167337011, Press = 0.44509591871493
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    143000  -25196.916     -25196.916     -25276.963     -25276.963      309.79225      309.79225      14942.977      14942.977      1555.3297      1555.3297    
    144000  -25193.127     -25193.127     -25273.593     -25273.593      311.4106       311.4106       14952.916      14952.916     -1699.8137     -1699.8137    
Loop time of 43.1799 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.001 ns/day, 11.994 hours/ns, 23.159 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.087     | 43.087     | 43.087     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024181   | 0.024181   | 0.024181   |   0.0 |  0.06
Output  | 2.151e-05  | 2.151e-05  | 2.151e-05  |   0.0 |  0.00
Modify  | 0.062004   | 0.062004   | 0.062004   |   0.0 |  0.14
Other   |            | 0.006724   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515964 ave      515964 max      515964 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515964
Ave neighs/atom = 257.982
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.626943045209, Press = 0.71751924677665
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    144000  -25193.127     -25193.127     -25273.593     -25273.593      311.4106       311.4106       14952.916      14952.916     -1699.8137     -1699.8137    
    145000  -25195.4       -25195.4       -25276.053     -25276.053      312.13506      312.13506      14945.106      14945.106      1211.1044      1211.1044    
Loop time of 43.3847 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.991 ns/day, 12.051 hours/ns, 23.050 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.291     | 43.291     | 43.291     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024586   | 0.024586   | 0.024586   |   0.0 |  0.06
Output  | 2.9385e-05 | 2.9385e-05 | 2.9385e-05 |   0.0 |  0.00
Modify  | 0.062001   | 0.062001   | 0.062001   |   0.0 |  0.14
Other   |            | 0.006728   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515914 ave      515914 max      515914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515914
Ave neighs/atom = 257.957
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.636720457186, Press = 0.676216943445884
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    145000  -25195.4       -25195.4       -25276.053     -25276.053      312.13506      312.13506      14945.106      14945.106      1211.1044      1211.1044    
    146000  -25193.814     -25193.814     -25274.879     -25274.879      313.73205      313.73205      14953.341      14953.341     -2537.2579     -2537.2579    
Loop time of 43.2275 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.999 ns/day, 12.008 hours/ns, 23.133 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.135     | 43.135     | 43.135     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024325   | 0.024325   | 0.024325   |   0.0 |  0.06
Output  | 2.9095e-05 | 2.9095e-05 | 2.9095e-05 |   0.0 |  0.00
Modify  | 0.061865   | 0.061865   | 0.061865   |   0.0 |  0.14
Other   |            | 0.006686   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515928 ave      515928 max      515928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515928
Ave neighs/atom = 257.964
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.641544479246, Press = 0.717278242346594
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    146000  -25193.814     -25193.814     -25274.879     -25274.879      313.73205      313.73205      14953.341      14953.341     -2537.2579     -2537.2579    
    147000  -25194.493     -25194.493     -25276.312     -25276.312      316.64627      316.64627      14945.363      14945.363      1368.817       1368.817     
Loop time of 43.2997 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.995 ns/day, 12.028 hours/ns, 23.095 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.206     | 43.206     | 43.206     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024578   | 0.024578   | 0.024578   |   0.0 |  0.06
Output  | 2.1079e-05 | 2.1079e-05 | 2.1079e-05 |   0.0 |  0.00
Modify  | 0.061986   | 0.061986   | 0.061986   |   0.0 |  0.14
Other   |            | 0.006742   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515938 ave      515938 max      515938 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515938
Ave neighs/atom = 257.969
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.644357632107, Press = 0.868206861584158
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    147000  -25194.493     -25194.493     -25276.312     -25276.312      316.64627      316.64627      14945.363      14945.363      1368.817       1368.817     
    148000  -25192.321     -25192.321     -25275.682     -25275.682      322.61595      322.61595      14946.428      14946.428      1200.0262      1200.0262    
Loop time of 43.1314 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.003 ns/day, 11.981 hours/ns, 23.185 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.038     | 43.038     | 43.038     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024417   | 0.024417   | 0.024417   |   0.0 |  0.06
Output  | 3.5247e-05 | 3.5247e-05 | 3.5247e-05 |   0.0 |  0.00
Modify  | 0.061766   | 0.061766   | 0.061766   |   0.0 |  0.14
Other   |            | 0.006706   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515920 ave      515920 max      515920 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515920
Ave neighs/atom = 257.96
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.669287526894, Press = 0.206106198564574
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    148000  -25192.321     -25192.321     -25275.682     -25275.682      322.61595      322.61595      14946.428      14946.428      1200.0262      1200.0262    
    149000  -25193.653     -25193.653     -25275.646     -25275.646      317.32021      317.32021      14963.29       14963.29      -7574.515      -7574.515     
Loop time of 43.3824 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.992 ns/day, 12.051 hours/ns, 23.051 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.289     | 43.289     | 43.289     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024587   | 0.024587   | 0.024587   |   0.0 |  0.06
Output  | 2.9115e-05 | 2.9115e-05 | 2.9115e-05 |   0.0 |  0.00
Modify  | 0.062135   | 0.062135   | 0.062135   |   0.0 |  0.14
Other   |            | 0.006694   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515910 ave      515910 max      515910 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515910
Ave neighs/atom = 257.955
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.669844219406, Press = -0.522052323714737
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    149000  -25193.653     -25193.653     -25275.646     -25275.646      317.32021      317.32021      14963.29       14963.29      -7574.515      -7574.515     
    150000  -25196.521     -25196.521     -25275.564     -25275.564      305.90144      305.90144      14958.083      14958.083     -4896.9683     -4896.9683    
Loop time of 43.2145 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.999 ns/day, 12.004 hours/ns, 23.140 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.122     | 43.122     | 43.122     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024331   | 0.024331   | 0.024331   |   0.0 |  0.06
Output  | 2.644e-05  | 2.644e-05  | 2.644e-05  |   0.0 |  0.00
Modify  | 0.061821   | 0.061821   | 0.061821   |   0.0 |  0.14
Other   |            | 0.006694   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515946 ave      515946 max      515946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515946
Ave neighs/atom = 257.973
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.687576297191, Press = 1.39810844548125
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    150000  -25196.521     -25196.521     -25275.564     -25275.564      305.90144      305.90144      14958.083      14958.083     -4896.9683     -4896.9683    
    151000  -25193.919     -25193.919     -25275.385     -25275.385      315.27969      315.27969      14937.811      14937.811      5379.9783      5379.9783    
Loop time of 43.2954 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.996 ns/day, 12.027 hours/ns, 23.097 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.202     | 43.202     | 43.202     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024403   | 0.024403   | 0.024403   |   0.0 |  0.06
Output  | 8.9148e-05 | 8.9148e-05 | 8.9148e-05 |   0.0 |  0.00
Modify  | 0.062107   | 0.062107   | 0.062107   |   0.0 |  0.14
Other   |            | 0.006701   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515922 ave      515922 max      515922 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515922
Ave neighs/atom = 257.961
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.704421498224, Press = 0.759302812412108
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    151000  -25193.919     -25193.919     -25275.385     -25275.385      315.27969      315.27969      14937.811      14937.811      5379.9783      5379.9783    
    152000  -25190.221     -25190.221     -25272.212     -25272.212      317.3157       317.3157       14950.094      14950.094      440.06983      440.06983    
Loop time of 43.3043 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.995 ns/day, 12.029 hours/ns, 23.092 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.211     | 43.211     | 43.211     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024383   | 0.024383   | 0.024383   |   0.0 |  0.06
Output  | 2.9676e-05 | 2.9676e-05 | 2.9676e-05 |   0.0 |  0.00
Modify  | 0.061947   | 0.061947   | 0.061947   |   0.0 |  0.14
Other   |            | 0.006727   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515918 ave      515918 max      515918 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515918
Ave neighs/atom = 257.959
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.709176629159, Press = 0.517695273005155
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    152000  -25190.221     -25190.221     -25272.212     -25272.212      317.3157       317.3157       14950.094      14950.094      440.06983      440.06983    
    153000  -25196.808     -25196.808     -25276.613     -25276.613      308.85437      308.85437      14945.879      14945.879      492.25845      492.25845    
Loop time of 43.1889 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.001 ns/day, 11.997 hours/ns, 23.154 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.096     | 43.096     | 43.096     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024415   | 0.024415   | 0.024415   |   0.0 |  0.06
Output  | 2.8313e-05 | 2.8313e-05 | 2.8313e-05 |   0.0 |  0.00
Modify  | 0.06194    | 0.06194    | 0.06194    |   0.0 |  0.14
Other   |            | 0.006689   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515892 ave      515892 max      515892 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515892
Ave neighs/atom = 257.946
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.727632085292, Press = 0.991701561348391
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    153000  -25196.808     -25196.808     -25276.613     -25276.613      308.85437      308.85437      14945.879      14945.879      492.25845      492.25845    
    154000  -25192.675     -25192.675     -25272.821     -25272.821      310.1739       310.1739       14939.955      14939.955      4757.4092      4757.4092    
Loop time of 43.164 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.002 ns/day, 11.990 hours/ns, 23.167 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.071     | 43.071     | 43.071     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024565   | 0.024565   | 0.024565   |   0.0 |  0.06
Output  | 4.1629e-05 | 4.1629e-05 | 4.1629e-05 |   0.0 |  0.00
Modify  | 0.062101   | 0.062101   | 0.062101   |   0.0 |  0.14
Other   |            | 0.006713   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515938 ave      515938 max      515938 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515938
Ave neighs/atom = 257.969
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.74292026173, Press = 0.433545070257781
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    154000  -25192.675     -25192.675     -25272.821     -25272.821      310.1739       310.1739       14939.955      14939.955      4757.4092      4757.4092    
    155000  -25195.704     -25195.704     -25275.796     -25275.796      309.96225      309.96225      14958.507      14958.507     -5139.8778     -5139.8778    
Loop time of 43.098 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.005 ns/day, 11.972 hours/ns, 23.203 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.005     | 43.005     | 43.005     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024485   | 0.024485   | 0.024485   |   0.0 |  0.06
Output  | 3.1399e-05 | 3.1399e-05 | 3.1399e-05 |   0.0 |  0.00
Modify  | 0.061957   | 0.061957   | 0.061957   |   0.0 |  0.14
Other   |            | 0.006706   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515906 ave      515906 max      515906 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515906
Ave neighs/atom = 257.953
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.752268701669, Press = -0.0436950809025214
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    155000  -25195.704     -25195.704     -25275.796     -25275.796      309.96225      309.96225      14958.507      14958.507     -5139.8778     -5139.8778    
    156000  -25195.248     -25195.248     -25276.799     -25276.799      315.60941      315.60941      14961.036      14961.036     -6423.2922     -6423.2922    
Loop time of 43.1995 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.000 ns/day, 12.000 hours/ns, 23.148 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.106     | 43.106     | 43.106     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024552   | 0.024552   | 0.024552   |   0.0 |  0.06
Output  | 5.2769e-05 | 5.2769e-05 | 5.2769e-05 |   0.0 |  0.00
Modify  | 0.062227   | 0.062227   | 0.062227   |   0.0 |  0.14
Other   |            | 0.006726   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515908 ave      515908 max      515908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515908
Ave neighs/atom = 257.954
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.751232126833, Press = 0.867592043500239
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    156000  -25195.248     -25195.248     -25276.799     -25276.799      315.60941      315.60941      14961.036      14961.036     -6423.2922     -6423.2922    
    157000  -25197.045     -25197.045     -25274.74      -25274.74       300.68881      300.68881      14938.98       14938.98       4412.6019      4412.6019    
Loop time of 43.2033 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.000 ns/day, 12.001 hours/ns, 23.146 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.11      | 43.11      | 43.11      |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024399   | 0.024399   | 0.024399   |   0.0 |  0.06
Output  | 2.7602e-05 | 2.7602e-05 | 2.7602e-05 |   0.0 |  0.00
Modify  | 0.062233   | 0.062233   | 0.062233   |   0.0 |  0.14
Other   |            | 0.006746   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515914 ave      515914 max      515914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515914
Ave neighs/atom = 257.957
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.753377364054, Press = 1.35091041279864
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    157000  -25197.045     -25197.045     -25274.74      -25274.74       300.68881      300.68881      14938.98       14938.98       4412.6019      4412.6019    
    158000  -25194.389     -25194.389     -25275.357     -25275.357      313.35466      313.35466      14937.727      14937.727      4732.1687      4732.1687    
Loop time of 43.1599 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.002 ns/day, 11.989 hours/ns, 23.170 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.067     | 43.067     | 43.067     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024433   | 0.024433   | 0.024433   |   0.0 |  0.06
Output  | 3.9714e-05 | 3.9714e-05 | 3.9714e-05 |   0.0 |  0.00
Modify  | 0.062111   | 0.062111   | 0.062111   |   0.0 |  0.14
Other   |            | 0.006706   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515948 ave      515948 max      515948 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515948
Ave neighs/atom = 257.974
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.754865026894, Press = 0.428128893697658
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    158000  -25194.389     -25194.389     -25275.357     -25275.357      313.35466      313.35466      14937.727      14937.727      4732.1687      4732.1687    
    159000  -25196.897     -25196.897     -25277.705     -25277.705      312.73555      312.73555      14952.49       14952.49      -2674.0663     -2674.0663    
Loop time of 43.0785 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.006 ns/day, 11.966 hours/ns, 23.213 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.985     | 42.985     | 42.985     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024551   | 0.024551   | 0.024551   |   0.0 |  0.06
Output  | 3.1178e-05 | 3.1178e-05 | 3.1178e-05 |   0.0 |  0.00
Modify  | 0.0618     | 0.0618     | 0.0618     |   0.0 |  0.14
Other   |            | 0.006701   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515956 ave      515956 max      515956 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515956
Ave neighs/atom = 257.978
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.75847453635, Press = 0.45294938242122
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    159000  -25196.897     -25196.897     -25277.705     -25277.705      312.73555      312.73555      14952.49       14952.49      -2674.0663     -2674.0663    
    160000  -25194.375     -25194.375     -25277.88      -25277.88       323.17111      323.17111      14949.376      14949.376     -1299.1209     -1299.1209    
Loop time of 43.1557 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.002 ns/day, 11.988 hours/ns, 23.172 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.063     | 43.063     | 43.063     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024418   | 0.024418   | 0.024418   |   0.0 |  0.06
Output  | 3.1649e-05 | 3.1649e-05 | 3.1649e-05 |   0.0 |  0.00
Modify  | 0.061831   | 0.061831   | 0.061831   |   0.0 |  0.14
Other   |            | 0.006691   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515964 ave      515964 max      515964 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515964
Ave neighs/atom = 257.982
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.752840543183, Press = 0.876867235972789
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    160000  -25194.375     -25194.375     -25277.88      -25277.88       323.17111      323.17111      14949.376      14949.376     -1299.1209     -1299.1209    
    161000  -25198.255     -25198.255     -25278.905     -25278.905      312.12373      312.12373      14942.083      14942.083      2025.5828      2025.5828    
Loop time of 43.2795 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.996 ns/day, 12.022 hours/ns, 23.106 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.186     | 43.186     | 43.186     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024482   | 0.024482   | 0.024482   |   0.0 |  0.06
Output  | 2.2072e-05 | 2.2072e-05 | 2.2072e-05 |   0.0 |  0.00
Modify  | 0.061985   | 0.061985   | 0.061985   |   0.0 |  0.14
Other   |            | 0.006704   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515952 ave      515952 max      515952 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515952
Ave neighs/atom = 257.976
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.741437897147, Press = 0.751428446636909
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    161000  -25198.255     -25198.255     -25278.905     -25278.905      312.12373      312.12373      14942.083      14942.083      2025.5828      2025.5828    
    162000  -25195.28      -25195.28      -25276.564     -25276.564      314.57649      314.57649      14941.986      14941.986      2506.1278      2506.1278    
Loop time of 43.246 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.998 ns/day, 12.013 hours/ns, 23.124 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.153     | 43.153     | 43.153     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024498   | 0.024498   | 0.024498   |   0.0 |  0.06
Output  | 3.3253e-05 | 3.3253e-05 | 3.3253e-05 |   0.0 |  0.00
Modify  | 0.062045   | 0.062045   | 0.062045   |   0.0 |  0.14
Other   |            | 0.00672    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515946 ave      515946 max      515946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515946
Ave neighs/atom = 257.973
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.751783772541, Press = 0.0290584251025559
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    162000  -25195.28      -25195.28      -25276.564     -25276.564      314.57649      314.57649      14941.986      14941.986      2506.1278      2506.1278    
    163000  -25194.328     -25194.328     -25276.111     -25276.111      316.50883      316.50883      14966.361      14966.361     -9060.3019     -9060.3019    
Loop time of 43.0094 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.009 ns/day, 11.947 hours/ns, 23.251 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.917     | 42.917     | 42.917     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024333   | 0.024333   | 0.024333   |   0.0 |  0.06
Output  | 3.0397e-05 | 3.0397e-05 | 3.0397e-05 |   0.0 |  0.00
Modify  | 0.061625   | 0.061625   | 0.061625   |   0.0 |  0.14
Other   |            | 0.006696   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515940 ave      515940 max      515940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515940
Ave neighs/atom = 257.97
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.761979930815, Press = 0.0224916954535785
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    163000  -25194.328     -25194.328     -25276.111     -25276.111      316.50883      316.50883      14966.361      14966.361     -9060.3019     -9060.3019    
    164000  -25198.662     -25198.662     -25277.039     -25277.039      303.32746      303.32746      14948.059      14948.059     -512.02043     -512.02043    
Loop time of 42.989 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.010 ns/day, 11.941 hours/ns, 23.262 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.896     | 42.896     | 42.896     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024464   | 0.024464   | 0.024464   |   0.0 |  0.06
Output  | 0.00015777 | 0.00015777 | 0.00015777 |   0.0 |  0.00
Modify  | 0.061636   | 0.061636   | 0.061636   |   0.0 |  0.14
Other   |            | 0.006673   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515942 ave      515942 max      515942 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515942
Ave neighs/atom = 257.971
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.763265132473, Press = 1.03229784465574
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    164000  -25198.662     -25198.662     -25277.039     -25277.039      303.32746      303.32746      14948.059      14948.059     -512.02043     -512.02043    
    165000  -25193.656     -25193.656     -25274.084     -25274.084      311.26728      311.26728      14945.692      14945.692      1350.2713      1350.2713    
Loop time of 42.9336 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.012 ns/day, 11.926 hours/ns, 23.292 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.841     | 42.841     | 42.841     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0243     | 0.0243     | 0.0243     |   0.0 |  0.06
Output  | 3.9604e-05 | 3.9604e-05 | 3.9604e-05 |   0.0 |  0.00
Modify  | 0.061452   | 0.061452   | 0.061452   |   0.0 |  0.14
Other   |            | 0.006671   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515928 ave      515928 max      515928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515928
Ave neighs/atom = 257.964
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.754597702032, Press = 0.621603275360788
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    165000  -25193.656     -25193.656     -25274.084     -25274.084      311.26728      311.26728      14945.692      14945.692      1350.2713      1350.2713    
    166000  -25195.606     -25195.606     -25276.481     -25276.481      312.99612      312.99612      14940.508      14940.508      3441.2637      3441.2637    
Loop time of 42.9833 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.010 ns/day, 11.940 hours/ns, 23.265 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.89      | 42.89      | 42.89      |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024503   | 0.024503   | 0.024503   |   0.0 |  0.06
Output  | 4.5265e-05 | 4.5265e-05 | 4.5265e-05 |   0.0 |  0.00
Modify  | 0.061813   | 0.061813   | 0.061813   |   0.0 |  0.14
Other   |            | 0.006739   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515914 ave      515914 max      515914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515914
Ave neighs/atom = 257.957
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.753180810551, Press = 0.48826947397536
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    166000  -25195.606     -25195.606     -25276.481     -25276.481      312.99612      312.99612      14940.508      14940.508      3441.2637      3441.2637    
    167000  -25196.414     -25196.414     -25276.328     -25276.328      309.27589      309.27589      14950.048      14950.048     -961.33262     -961.33262    
Loop time of 42.9786 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.010 ns/day, 11.939 hours/ns, 23.267 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.886     | 42.886     | 42.886     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024377   | 0.024377   | 0.024377   |   0.0 |  0.06
Output  | 5.0334e-05 | 5.0334e-05 | 5.0334e-05 |   0.0 |  0.00
Modify  | 0.061841   | 0.061841   | 0.061841   |   0.0 |  0.14
Other   |            | 0.006741   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515932 ave      515932 max      515932 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515932
Ave neighs/atom = 257.966
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.757174946777, Press = 0.357645875127422
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    167000  -25196.414     -25196.414     -25276.328     -25276.328      309.27589      309.27589      14950.048      14950.048     -961.33262     -961.33262    
    168000  -25193.582     -25193.582     -25274.217     -25274.217      312.06484      312.06484      14950.068      14950.068     -623.11099     -623.11099    
Loop time of 42.945 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.012 ns/day, 11.929 hours/ns, 23.286 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.853     | 42.853     | 42.853     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024282   | 0.024282   | 0.024282   |   0.0 |  0.06
Output  | 3.2391e-05 | 3.2391e-05 | 3.2391e-05 |   0.0 |  0.00
Modify  | 0.061481   | 0.061481   | 0.061481   |   0.0 |  0.14
Other   |            | 0.006681   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515914 ave      515914 max      515914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515914
Ave neighs/atom = 257.957
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.755998788268, Press = 0.415399105547155
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    168000  -25193.582     -25193.582     -25274.217     -25274.217      312.06484      312.06484      14950.068      14950.068     -623.11099     -623.11099    
    169000  -25196.229     -25196.229     -25277.575     -25277.575      314.81499      314.81499      14953.734      14953.734     -3441.3767     -3441.3767    
Loop time of 42.9992 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.009 ns/day, 11.944 hours/ns, 23.256 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.907     | 42.907     | 42.907     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024304   | 0.024304   | 0.024304   |   0.0 |  0.06
Output  | 4.1108e-05 | 4.1108e-05 | 4.1108e-05 |   0.0 |  0.00
Modify  | 0.061574   | 0.061574   | 0.061574   |   0.0 |  0.14
Other   |            | 0.006696   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515900 ave      515900 max      515900 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515900
Ave neighs/atom = 257.95
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.74203451089, Press = 0.8465068847389
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    169000  -25196.229     -25196.229     -25277.575     -25277.575      314.81499      314.81499      14953.734      14953.734     -3441.3767     -3441.3767    
    170000  -25196.846     -25196.846     -25276.204     -25276.204      307.12245      307.12245      14940.264      14940.264      3048.6377      3048.6377    
Loop time of 43.0755 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.006 ns/day, 11.965 hours/ns, 23.215 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.983     | 42.983     | 42.983     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024263   | 0.024263   | 0.024263   |   0.0 |  0.06
Output  | 3.0427e-05 | 3.0427e-05 | 3.0427e-05 |   0.0 |  0.00
Modify  | 0.061526   | 0.061526   | 0.061526   |   0.0 |  0.14
Other   |            | 0.006679   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515956 ave      515956 max      515956 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515956
Ave neighs/atom = 257.978
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.739296430679, Press = 0.925010270120125
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    170000  -25196.846     -25196.846     -25276.204     -25276.204      307.12245      307.12245      14940.264      14940.264      3048.6377      3048.6377    
    171000  -25194.031     -25194.031     -25275.921     -25275.921      316.92165      316.92165      14935.372      14935.372      6302.8         6302.8       
Loop time of 43.0016 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.009 ns/day, 11.945 hours/ns, 23.255 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.909     | 42.909     | 42.909     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024269   | 0.024269   | 0.024269   |   0.0 |  0.06
Output  | 5.1387e-05 | 5.1387e-05 | 5.1387e-05 |   0.0 |  0.00
Modify  | 0.061565   | 0.061565   | 0.061565   |   0.0 |  0.14
Other   |            | 0.00662    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515924 ave      515924 max      515924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515924
Ave neighs/atom = 257.962
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.722097066201, Press = -0.0187082975417047
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    171000  -25194.031     -25194.031     -25275.921     -25275.921      316.92165      316.92165      14935.372      14935.372      6302.8         6302.8       
    172000  -25196.734     -25196.734     -25275.673     -25275.673      305.50158      305.50158      14955.74       14955.74      -3805.1482     -3805.1482    
Loop time of 42.9091 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.014 ns/day, 11.919 hours/ns, 23.305 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.817     | 42.817     | 42.817     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024281   | 0.024281   | 0.024281   |   0.0 |  0.06
Output  | 4.249e-05  | 4.249e-05  | 4.249e-05  |   0.0 |  0.00
Modify  | 0.061515   | 0.061515   | 0.061515   |   0.0 |  0.14
Other   |            | 0.006664   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515924 ave      515924 max      515924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515924
Ave neighs/atom = 257.962
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.725521727688, Press = -0.192247792255503
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    172000  -25196.734     -25196.734     -25275.673     -25275.673      305.50158      305.50158      14955.74       14955.74      -3805.1482     -3805.1482    
    173000  -25193.222     -25193.222     -25275.431     -25275.431      318.15466      318.15466      14949.971      14949.971     -549.23626     -549.23626    
Loop time of 42.9164 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.013 ns/day, 11.921 hours/ns, 23.301 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.824     | 42.824     | 42.824     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024369   | 0.024369   | 0.024369   |   0.0 |  0.06
Output  | 2.2292e-05 | 2.2292e-05 | 2.2292e-05 |   0.0 |  0.00
Modify  | 0.06157    | 0.06157    | 0.06157    |   0.0 |  0.14
Other   |            | 0.006665   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515926 ave      515926 max      515926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515926
Ave neighs/atom = 257.963
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.74080638517, Press = 0.790779286970219
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    173000  -25193.222     -25193.222     -25275.431     -25275.431      318.15466      318.15466      14949.971      14949.971     -549.23626     -549.23626    
    174000  -25196.8       -25196.8       -25276.73      -25276.73       309.33744      309.33744      14945.93       14945.93       570.80895      570.80895    
Loop time of 42.9382 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.012 ns/day, 11.927 hours/ns, 23.289 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.846     | 42.846     | 42.846     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024278   | 0.024278   | 0.024278   |   0.0 |  0.06
Output  | 2.8243e-05 | 2.8243e-05 | 2.8243e-05 |   0.0 |  0.00
Modify  | 0.061569   | 0.061569   | 0.061569   |   0.0 |  0.14
Other   |            | 0.006695   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515904 ave      515904 max      515904 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515904
Ave neighs/atom = 257.952
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.758762419115, Press = 0.459162455046125
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    174000  -25196.8       -25196.8       -25276.73      -25276.73       309.33744      309.33744      14945.93       14945.93       570.80895      570.80895    
    175000  -25196.589     -25196.589     -25279.554     -25279.554      321.08329      321.08329      14950.971      14950.971     -2737.9687     -2737.9687    
Loop time of 42.9619 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.011 ns/day, 11.934 hours/ns, 23.276 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.869     | 42.869     | 42.869     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024199   | 0.024199   | 0.024199   |   0.0 |  0.06
Output  | 0.00010323 | 0.00010323 | 0.00010323 |   0.0 |  0.00
Modify  | 0.061606   | 0.061606   | 0.061606   |   0.0 |  0.14
Other   |            | 0.006681   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515948 ave      515948 max      515948 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515948
Ave neighs/atom = 257.974
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.761574530198, Press = 0.22803316217343
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    175000  -25196.589     -25196.589     -25279.554     -25279.554      321.08329      321.08329      14950.971      14950.971     -2737.9687     -2737.9687    
    176000  -25198.857     -25198.857     -25278.445     -25278.445      308.01269      308.01269      14949.786      14949.786     -1897.3106     -1897.3106    
Loop time of 42.9781 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.010 ns/day, 11.938 hours/ns, 23.268 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.886     | 42.886     | 42.886     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024114   | 0.024114   | 0.024114   |   0.0 |  0.06
Output  | 2.0989e-05 | 2.0989e-05 | 2.0989e-05 |   0.0 |  0.00
Modify  | 0.061264   | 0.061264   | 0.061264   |   0.0 |  0.14
Other   |            | 0.006658   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515950 ave      515950 max      515950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515950
Ave neighs/atom = 257.975
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.764685475453, Press = 0.778814707078103
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    176000  -25198.857     -25198.857     -25278.445     -25278.445      308.01269      308.01269      14949.786      14949.786     -1897.3106     -1897.3106    
    177000  -25194.207     -25194.207     -25275.983     -25275.983      316.48038      316.48038      14929.812      14929.812      8654.395       8654.395     
Loop time of 42.9863 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.010 ns/day, 11.941 hours/ns, 23.263 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.894     | 42.894     | 42.894     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024252   | 0.024252   | 0.024252   |   0.0 |  0.06
Output  | 3.4775e-05 | 3.4775e-05 | 3.4775e-05 |   0.0 |  0.00
Modify  | 0.061398   | 0.061398   | 0.061398   |   0.0 |  0.14
Other   |            | 0.006643   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515906 ave      515906 max      515906 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515906
Ave neighs/atom = 257.953
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.75237966142, Press = 0.524547914309549
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    177000  -25194.207     -25194.207     -25275.983     -25275.983      316.48038      316.48038      14929.812      14929.812      8654.395       8654.395     
    178000  -25197.46      -25197.46      -25277.326     -25277.326      309.09068      309.09068      14946.588      14946.588     -511.93049     -511.93049    
Loop time of 43.1397 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.003 ns/day, 11.983 hours/ns, 23.180 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.047     | 43.047     | 43.047     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024295   | 0.024295   | 0.024295   |   0.0 |  0.06
Output  | 2.8233e-05 | 2.8233e-05 | 2.8233e-05 |   0.0 |  0.00
Modify  | 0.061622   | 0.061622   | 0.061622   |   0.0 |  0.14
Other   |            | 0.006681   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515948 ave      515948 max      515948 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515948
Ave neighs/atom = 257.974
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.744061092867, Press = -0.657749040174917
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    178000  -25197.46      -25197.46      -25277.326     -25277.326      309.09068      309.09068      14946.588      14946.588     -511.93049     -511.93049    
    179000  -25192.117     -25192.117     -25274.948     -25274.948      320.56096      320.56096      14959.181      14959.181     -5548.9021     -5548.9021    
Loop time of 43.2917 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.996 ns/day, 12.025 hours/ns, 23.099 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.199     | 43.199     | 43.199     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024419   | 0.024419   | 0.024419   |   0.0 |  0.06
Output  | 4.5305e-05 | 4.5305e-05 | 4.5305e-05 |   0.0 |  0.00
Modify  | 0.061834   | 0.061834   | 0.061834   |   0.0 |  0.14
Other   |            | 0.006692   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515930 ave      515930 max      515930 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515930
Ave neighs/atom = 257.965
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.749508645757, Press = 0.312636291793587
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    179000  -25192.117     -25192.117     -25274.948     -25274.948      320.56096      320.56096      14959.181      14959.181     -5548.9021     -5548.9021    
    180000  -25195.451     -25195.451     -25278.128     -25278.128      319.96685      319.96685      14943.585      14943.585      1469.851       1469.851     
Loop time of 43.123 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.004 ns/day, 11.979 hours/ns, 23.190 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.03      | 43.03      | 43.03      |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024381   | 0.024381   | 0.024381   |   0.0 |  0.06
Output  | 4.0756e-05 | 4.0756e-05 | 4.0756e-05 |   0.0 |  0.00
Modify  | 0.061705   | 0.061705   | 0.061705   |   0.0 |  0.14
Other   |            | 0.006688   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515918 ave      515918 max      515918 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515918
Ave neighs/atom = 257.959
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.755234830033, Press = 0.940393689352827
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    180000  -25195.451     -25195.451     -25278.128     -25278.128      319.96685      319.96685      14943.585      14943.585      1469.851       1469.851     
    181000  -25193.904     -25193.904     -25276.516     -25276.516      319.71787      319.71787      14938.479      14938.479      4184.1676      4184.1676    
Loop time of 43.1023 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.005 ns/day, 11.973 hours/ns, 23.201 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.009     | 43.009     | 43.009     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024419   | 0.024419   | 0.024419   |   0.0 |  0.06
Output  | 4.7619e-05 | 4.7619e-05 | 4.7619e-05 |   0.0 |  0.00
Modify  | 0.061783   | 0.061783   | 0.061783   |   0.0 |  0.14
Other   |            | 0.006728   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515944 ave      515944 max      515944 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515944
Ave neighs/atom = 257.972
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.777850901112, Press = 0.335192722498532
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    181000  -25193.904     -25193.904     -25276.516     -25276.516      319.71787      319.71787      14938.479      14938.479      4184.1676      4184.1676    
    182000  -25193.601     -25193.601     -25274.642     -25274.642      313.6387       313.6387       14957.227      14957.227     -4569.1525     -4569.1525    
Loop time of 43.2748 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.997 ns/day, 12.021 hours/ns, 23.108 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.182     | 43.182     | 43.182     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024412   | 0.024412   | 0.024412   |   0.0 |  0.06
Output  | 5.354e-05  | 5.354e-05  | 5.354e-05  |   0.0 |  0.00
Modify  | 0.061928   | 0.061928   | 0.061928   |   0.0 |  0.14
Other   |            | 0.006716   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515944 ave      515944 max      515944 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515944
Ave neighs/atom = 257.972
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.783689474329, Press = -0.3058762617855
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    182000  -25193.601     -25193.601     -25274.642     -25274.642      313.6387       313.6387       14957.227      14957.227     -4569.1525     -4569.1525    
    183000  -25197.067     -25197.067     -25276.16      -25276.16       306.0974       306.0974       14964.335      14964.335     -8362.9992     -8362.9992    
Loop time of 43.166 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.002 ns/day, 11.991 hours/ns, 23.166 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.073     | 43.073     | 43.073     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024347   | 0.024347   | 0.024347   |   0.0 |  0.06
Output  | 3.2321e-05 | 3.2321e-05 | 3.2321e-05 |   0.0 |  0.00
Modify  | 0.061802   | 0.061802   | 0.061802   |   0.0 |  0.14
Other   |            | 0.006659   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515892 ave      515892 max      515892 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515892
Ave neighs/atom = 257.946
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.801949728564, Press = 1.16073353142883
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    183000  -25197.067     -25197.067     -25276.16      -25276.16       306.0974       306.0974       14964.335      14964.335     -8362.9992     -8362.9992    
    184000  -25194.831     -25194.831     -25276.509     -25276.509      316.10047      316.10047      14938.249      14938.249      3839.8215      3839.8215    
Loop time of 43.2355 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.998 ns/day, 12.010 hours/ns, 23.129 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.142     | 43.142     | 43.142     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024409   | 0.024409   | 0.024409   |   0.0 |  0.06
Output  | 5.4713e-05 | 5.4713e-05 | 5.4713e-05 |   0.0 |  0.00
Modify  | 0.061904   | 0.061904   | 0.061904   |   0.0 |  0.14
Other   |            | 0.00671    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515932 ave      515932 max      515932 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515932
Ave neighs/atom = 257.966
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.803264838214, Press = 0.680194432484993
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    184000  -25194.831     -25194.831     -25276.509     -25276.509      316.10047      316.10047      14938.249      14938.249      3839.8215      3839.8215    
    185000  -25197.254     -25197.254     -25275.637     -25275.637      303.35096      303.35096      14939.376      14939.376      3693.9861      3693.9861    
Loop time of 43.2843 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.996 ns/day, 12.023 hours/ns, 23.103 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.191     | 43.191     | 43.191     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024539   | 0.024539   | 0.024539   |   0.0 |  0.06
Output  | 6.5193e-05 | 6.5193e-05 | 6.5193e-05 |   0.0 |  0.00
Modify  | 0.061901   | 0.061901   | 0.061901   |   0.0 |  0.14
Other   |            | 0.006716   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515956 ave      515956 max      515956 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515956
Ave neighs/atom = 257.978
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.784509421051, Press = 0.337008287862251
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    185000  -25197.254     -25197.254     -25275.637     -25275.637      303.35096      303.35096      14939.376      14939.376      3693.9861      3693.9861    
    186000  -25195.48      -25195.48      -25277.412     -25277.412      317.08554      317.08554      14956.28       14956.28      -4917.8918     -4917.8918    
Loop time of 43.2909 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.996 ns/day, 12.025 hours/ns, 23.100 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.197     | 43.197     | 43.197     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024583   | 0.024583   | 0.024583   |   0.0 |  0.06
Output  | 2.8434e-05 | 2.8434e-05 | 2.8434e-05 |   0.0 |  0.00
Modify  | 0.062169   | 0.062169   | 0.062169   |   0.0 |  0.14
Other   |            | 0.006704   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515944 ave      515944 max      515944 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515944
Ave neighs/atom = 257.972
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.779511478921, Press = -0.204168543665225
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    186000  -25195.48      -25195.48      -25277.412     -25277.412      317.08554      317.08554      14956.28       14956.28      -4917.8918     -4917.8918    
    187000  -25192.354     -25192.354     -25272.759     -25272.759      311.17533      311.17533      14960.667      14960.667     -5832.3753     -5832.3753    
Loop time of 43.3645 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.992 ns/day, 12.046 hours/ns, 23.060 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.271     | 43.271     | 43.271     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024428   | 0.024428   | 0.024428   |   0.0 |  0.06
Output  | 4.0807e-05 | 4.0807e-05 | 4.0807e-05 |   0.0 |  0.00
Modify  | 0.062003   | 0.062003   | 0.062003   |   0.0 |  0.14
Other   |            | 0.006671   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515952 ave      515952 max      515952 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515952
Ave neighs/atom = 257.976
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.770522523255, Press = 1.28064134675271
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    187000  -25192.354     -25192.354     -25272.759     -25272.759      311.17533      311.17533      14960.667      14960.667     -5832.3753     -5832.3753    
    188000  -25195.469     -25195.469     -25276.898     -25276.898      315.13866      315.13866      14926.725      14926.725      9893.1607      9893.1607    
Loop time of 43.169 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.001 ns/day, 11.991 hours/ns, 23.165 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.076     | 43.076     | 43.076     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024329   | 0.024329   | 0.024329   |   0.0 |  0.06
Output  | 2.9716e-05 | 2.9716e-05 | 2.9716e-05 |   0.0 |  0.00
Modify  | 0.061689   | 0.061689   | 0.061689   |   0.0 |  0.14
Other   |            | 0.006674   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515942 ave      515942 max      515942 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515942
Ave neighs/atom = 257.971
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.780919842612, Press = 1.1625159460751
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    188000  -25195.469     -25195.469     -25276.898     -25276.898      315.13866      315.13866      14926.725      14926.725      9893.1607      9893.1607    
    189000  -25195.085     -25195.085     -25277.965     -25277.965      320.75564      320.75564      14940.281      14940.281      2966.6997      2966.6997    
Loop time of 43.4287 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.989 ns/day, 12.064 hours/ns, 23.026 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.335     | 43.335     | 43.335     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02455    | 0.02455    | 0.02455    |   0.0 |  0.06
Output  | 2.8994e-05 | 2.8994e-05 | 2.8994e-05 |   0.0 |  0.00
Modify  | 0.062083   | 0.062083   | 0.062083   |   0.0 |  0.14
Other   |            | 0.006748   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515942 ave      515942 max      515942 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515942
Ave neighs/atom = 257.971
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.788563453019, Press = 0.39651612483908
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    189000  -25195.085     -25195.085     -25277.965     -25277.965      320.75564      320.75564      14940.281      14940.281      2966.6997      2966.6997    
    190000  -25194.848     -25194.848     -25275.758     -25275.758      313.12803      313.12803      14959.572      14959.572     -5459.6958     -5459.6958    
Loop time of 43.2239 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.999 ns/day, 12.007 hours/ns, 23.135 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.131     | 43.131     | 43.131     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024332   | 0.024332   | 0.024332   |   0.0 |  0.06
Output  | 2.0949e-05 | 2.0949e-05 | 2.0949e-05 |   0.0 |  0.00
Modify  | 0.061876   | 0.061876   | 0.061876   |   0.0 |  0.14
Other   |            | 0.006737   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515952 ave      515952 max      515952 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515952
Ave neighs/atom = 257.976
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.80702198783, Press = 0.20379930253793
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    190000  -25194.848     -25194.848     -25275.758     -25275.758      313.12803      313.12803      14959.572      14959.572     -5459.6958     -5459.6958    
    191000  -25192.646     -25192.646     -25273.501     -25273.501      312.91457      312.91457      14954.88       14954.88      -2748.1951     -2748.1951    
Loop time of 43.0305 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.008 ns/day, 11.953 hours/ns, 23.239 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.938     | 42.938     | 42.938     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024366   | 0.024366   | 0.024366   |   0.0 |  0.06
Output  | 2.9215e-05 | 2.9215e-05 | 2.9215e-05 |   0.0 |  0.00
Modify  | 0.061573   | 0.061573   | 0.061573   |   0.0 |  0.14
Other   |            | 0.006687   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515886 ave      515886 max      515886 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515886
Ave neighs/atom = 257.943
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.813571728086, Press = 0.855421093287851
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    191000  -25192.646     -25192.646     -25273.501     -25273.501      312.91457      312.91457      14954.88       14954.88      -2748.1951     -2748.1951    
    192000  -25196.443     -25196.443     -25276.469     -25276.469      309.70814      309.70814      14926.479      14926.479      9998.3006      9998.3006    
Loop time of 43.0296 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.008 ns/day, 11.953 hours/ns, 23.240 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.937     | 42.937     | 42.937     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024182   | 0.024182   | 0.024182   |   0.0 |  0.06
Output  | 2.9265e-05 | 2.9265e-05 | 2.9265e-05 |   0.0 |  0.00
Modify  | 0.061623   | 0.061623   | 0.061623   |   0.0 |  0.14
Other   |            | 0.006657   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515882 ave      515882 max      515882 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515882
Ave neighs/atom = 257.941
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.819200082995, Press = 1.16441780424604
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    192000  -25196.443     -25196.443     -25276.469     -25276.469      309.70814      309.70814      14926.479      14926.479      9998.3006      9998.3006    
    193000  -25194.788     -25194.788     -25274.761     -25274.761      309.50116      309.50116      14936.597      14936.597      5742.2359      5742.2359    
Loop time of 43.0865 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.005 ns/day, 11.968 hours/ns, 23.209 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.994     | 42.994     | 42.994     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024301   | 0.024301   | 0.024301   |   0.0 |  0.06
Output  | 2.8764e-05 | 2.8764e-05 | 2.8764e-05 |   0.0 |  0.00
Modify  | 0.061642   | 0.061642   | 0.061642   |   0.0 |  0.14
Other   |            | 0.006677   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515942 ave      515942 max      515942 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515942
Ave neighs/atom = 257.971
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.816031193972, Press = -0.443288716401914
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    193000  -25194.788     -25194.788     -25274.761     -25274.761      309.50116      309.50116      14936.597      14936.597      5742.2359      5742.2359    
    194000  -25194.828     -25194.828     -25274.12      -25274.12       306.86591      306.86591      14955.296      14955.296     -3342.5883     -3342.5883    
Loop time of 43.0708 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.006 ns/day, 11.964 hours/ns, 23.218 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.978     | 42.978     | 42.978     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024288   | 0.024288   | 0.024288   |   0.0 |  0.06
Output  | 2.0949e-05 | 2.0949e-05 | 2.0949e-05 |   0.0 |  0.00
Modify  | 0.0615     | 0.0615     | 0.0615     |   0.0 |  0.14
Other   |            | 0.006678   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515952 ave      515952 max      515952 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515952
Ave neighs/atom = 257.976
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.817881469797, Press = 0.326796404085214
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    194000  -25194.828     -25194.828     -25274.12      -25274.12       306.86591      306.86591      14955.296      14955.296     -3342.5883     -3342.5883    
    195000  -25193.512     -25193.512     -25273.131     -25273.131      308.13594      308.13594      14953.983      14953.983     -2210.008      -2210.008     
Loop time of 43.0623 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.006 ns/day, 11.962 hours/ns, 23.222 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.97      | 42.97      | 42.97      |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024189   | 0.024189   | 0.024189   |   0.0 |  0.06
Output  | 3.0237e-05 | 3.0237e-05 | 3.0237e-05 |   0.0 |  0.00
Modify  | 0.061554   | 0.061554   | 0.061554   |   0.0 |  0.14
Other   |            | 0.006659   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515926 ave      515926 max      515926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515926
Ave neighs/atom = 257.963
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.83397507552, Press = 0.707203491759121
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    195000  -25193.512     -25193.512     -25273.131     -25273.131      308.13594      308.13594      14953.983      14953.983     -2210.008      -2210.008     
    196000  -25197.683     -25197.683     -25277.621     -25277.621      309.36811      309.36811      14942.76       14942.76       1849.3449      1849.3449    
Loop time of 43.0661 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.006 ns/day, 11.963 hours/ns, 23.220 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.974     | 42.974     | 42.974     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024275   | 0.024275   | 0.024275   |   0.0 |  0.06
Output  | 2.8573e-05 | 2.8573e-05 | 2.8573e-05 |   0.0 |  0.00
Modify  | 0.061603   | 0.061603   | 0.061603   |   0.0 |  0.14
Other   |            | 0.006669   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515922 ave      515922 max      515922 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515922
Ave neighs/atom = 257.961
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.836513392367, Press = 1.00611188616949
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    196000  -25197.683     -25197.683     -25277.621     -25277.621      309.36811      309.36811      14942.76       14942.76       1849.3449      1849.3449    
    197000  -25193.08      -25193.08      -25274.689     -25274.689      315.83484      315.83484      14931.297      14931.297      8543.6509      8543.6509    
Loop time of 43.0796 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.006 ns/day, 11.967 hours/ns, 23.213 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.987     | 42.987     | 42.987     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02445    | 0.02445    | 0.02445    |   0.0 |  0.06
Output  | 4.0506e-05 | 4.0506e-05 | 4.0506e-05 |   0.0 |  0.00
Modify  | 0.061776   | 0.061776   | 0.061776   |   0.0 |  0.14
Other   |            | 0.00671    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515954 ave      515954 max      515954 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515954
Ave neighs/atom = 257.977
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.833559160575, Press = 0.2672444706882
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    197000  -25193.08      -25193.08      -25274.689     -25274.689      315.83484      315.83484      14931.297      14931.297      8543.6509      8543.6509    
    198000  -25199.082     -25199.082     -25277.304     -25277.304      302.72764      302.72764      14955.124      14955.124     -4204.7192     -4204.7192    
Loop time of 42.9232 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.013 ns/day, 11.923 hours/ns, 23.297 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.831     | 42.831     | 42.831     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024292   | 0.024292   | 0.024292   |   0.0 |  0.06
Output  | 2.8604e-05 | 2.8604e-05 | 2.8604e-05 |   0.0 |  0.00
Modify  | 0.061535   | 0.061535   | 0.061535   |   0.0 |  0.14
Other   |            | 0.006703   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515926 ave      515926 max      515926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515926
Ave neighs/atom = 257.963
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.824155289433, Press = -0.32885631481505
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    198000  -25199.082     -25199.082     -25277.304     -25277.304      302.72764      302.72764      14955.124      14955.124     -4204.7192     -4204.7192    
    199000  -25193.776     -25193.776     -25275.312     -25275.312      315.55003      315.55003      14957.127      14957.127     -4310.6385     -4310.6385    
Loop time of 42.9558 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.011 ns/day, 11.932 hours/ns, 23.280 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.864     | 42.864     | 42.864     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02411    | 0.02411    | 0.02411    |   0.0 |  0.06
Output  | 5.3159e-05 | 5.3159e-05 | 5.3159e-05 |   0.0 |  0.00
Modify  | 0.061394   | 0.061394   | 0.061394   |   0.0 |  0.14
Other   |            | 0.006686   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515944 ave      515944 max      515944 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515944
Ave neighs/atom = 257.972
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.816808551953, Press = 0.584795202900496
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    199000  -25193.776     -25193.776     -25275.312     -25275.312      315.55003      315.55003      14957.127      14957.127     -4310.6385     -4310.6385    
    200000  -25196.748     -25196.748     -25277.902     -25277.902      314.07707      314.07707      14946.527      14946.527     -203.72545     -203.72545    
Loop time of 42.9646 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.011 ns/day, 11.935 hours/ns, 23.275 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.872     | 42.872     | 42.872     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024239   | 0.024239   | 0.024239   |   0.0 |  0.06
Output  | 4.4874e-05 | 4.4874e-05 | 4.4874e-05 |   0.0 |  0.00
Modify  | 0.061497   | 0.061497   | 0.061497   |   0.0 |  0.14
Other   |            | 0.006702   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515916 ave      515916 max      515916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515916
Ave neighs/atom = 257.958
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.818110316531, Press = 0.702717224210751
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    200000  -25196.748     -25196.748     -25277.902     -25277.902      314.07707      314.07707      14946.527      14946.527     -203.72545     -203.72545    
    201000  -25193.619     -25193.619     -25275.23      -25275.23       315.84642      315.84642      14943.977      14943.977      1823.9801      1823.9801    
Loop time of 42.9539 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.011 ns/day, 11.932 hours/ns, 23.281 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.861     | 42.861     | 42.861     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024268   | 0.024268   | 0.024268   |   0.0 |  0.06
Output  | 3.8873e-05 | 3.8873e-05 | 3.8873e-05 |   0.0 |  0.00
Modify  | 0.061475   | 0.061475   | 0.061475   |   0.0 |  0.14
Other   |            | 0.006644   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515934 ave      515934 max      515934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515934
Ave neighs/atom = 257.967
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.818902790473, Press = 0.560507573965441
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    201000  -25193.619     -25193.619     -25275.23      -25275.23       315.84642      315.84642      14943.977      14943.977      1823.9801      1823.9801    
    202000  -25197.62      -25197.62      -25277.422     -25277.422      308.84089      308.84089      14951.363      14951.363     -1946.2354     -1946.2354    
Loop time of 43.0714 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.006 ns/day, 11.964 hours/ns, 23.217 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.979     | 42.979     | 42.979     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024537   | 0.024537   | 0.024537   |   0.0 |  0.06
Output  | 2.8944e-05 | 2.8944e-05 | 2.8944e-05 |   0.0 |  0.00
Modify  | 0.061598   | 0.061598   | 0.061598   |   0.0 |  0.14
Other   |            | 0.006611   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515934 ave      515934 max      515934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515934
Ave neighs/atom = 257.967
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.814007083507, Press = 0.575500523532213
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    202000  -25197.62      -25197.62      -25277.422     -25277.422      308.84089      308.84089      14951.363      14951.363     -1946.2354     -1946.2354    
    203000  -25195.38      -25195.38      -25274.775     -25274.775      307.26827      307.26827      14936.72       14936.72       5784.7486      5784.7486    
Loop time of 43.033 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.008 ns/day, 11.954 hours/ns, 23.238 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.94      | 42.94      | 42.94      |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02427    | 0.02427    | 0.02427    |   0.0 |  0.06
Output  | 5.821e-05  | 5.821e-05  | 5.821e-05  |   0.0 |  0.00
Modify  | 0.061553   | 0.061553   | 0.061553   |   0.0 |  0.14
Other   |            | 0.006689   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515908 ave      515908 max      515908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515908
Ave neighs/atom = 257.954
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.808713839585, Press = 0.988147716445282
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    203000  -25195.38      -25195.38      -25274.775     -25274.775      307.26827      307.26827      14936.72       14936.72       5784.7486      5784.7486    
    204000  -25193.887     -25193.887     -25274.319     -25274.319      311.27958      311.27958      14943.09       14943.09       2875.1039      2875.1039    
Loop time of 42.8463 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.017 ns/day, 11.902 hours/ns, 23.339 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.754     | 42.754     | 42.754     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024256   | 0.024256   | 0.024256   |   0.0 |  0.06
Output  | 2.1049e-05 | 2.1049e-05 | 2.1049e-05 |   0.0 |  0.00
Modify  | 0.061429   | 0.061429   | 0.061429   |   0.0 |  0.14
Other   |            | 0.006668   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515934 ave      515934 max      515934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515934
Ave neighs/atom = 257.967
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.795757403679, Press = -0.131191342129698
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    204000  -25193.887     -25193.887     -25274.319     -25274.319      311.27958      311.27958      14943.09       14943.09       2875.1039      2875.1039    
    205000  -25196.529     -25196.529     -25277.314     -25277.314      312.64668      312.64668      14957.968      14957.968     -5222.1824     -5222.1824    
Loop time of 42.9047 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.014 ns/day, 11.918 hours/ns, 23.307 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.813     | 42.813     | 42.813     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024195   | 0.024195   | 0.024195   |   0.0 |  0.06
Output  | 2.7272e-05 | 2.7272e-05 | 2.7272e-05 |   0.0 |  0.00
Modify  | 0.061346   | 0.061346   | 0.061346   |   0.0 |  0.14
Other   |            | 0.006652   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515886 ave      515886 max      515886 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515886
Ave neighs/atom = 257.943
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.795618461764, Press = 0.23485428446054
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    205000  -25196.529     -25196.529     -25277.314     -25277.314      312.64668      312.64668      14957.968      14957.968     -5222.1824     -5222.1824    
    206000  -25194.085     -25194.085     -25272.731     -25272.731      304.36671      304.36671      14954.226      14954.226     -1965.7872     -1965.7872    
Loop time of 42.9288 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.013 ns/day, 11.925 hours/ns, 23.294 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.837     | 42.837     | 42.837     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02411    | 0.02411    | 0.02411    |   0.0 |  0.06
Output  | 4.3852e-05 | 4.3852e-05 | 4.3852e-05 |   0.0 |  0.00
Modify  | 0.061443   | 0.061443   | 0.061443   |   0.0 |  0.14
Other   |            | 0.006699   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515918 ave      515918 max      515918 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515918
Ave neighs/atom = 257.959
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.793143054458, Press = 0.786165296562405
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    206000  -25194.085     -25194.085     -25272.731     -25272.731      304.36671      304.36671      14954.226      14954.226     -1965.7872     -1965.7872    
    207000  -25195.611     -25195.611     -25276.825     -25276.825      314.30856      314.30856      14946.152      14946.152      564.79548      564.79548    
Loop time of 42.9265 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.013 ns/day, 11.924 hours/ns, 23.296 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.834     | 42.834     | 42.834     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024183   | 0.024183   | 0.024183   |   0.0 |  0.06
Output  | 2.635e-05  | 2.635e-05  | 2.635e-05  |   0.0 |  0.00
Modify  | 0.061424   | 0.061424   | 0.061424   |   0.0 |  0.14
Other   |            | 0.006699   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515902 ave      515902 max      515902 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515902
Ave neighs/atom = 257.951
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.781117400451, Press = 0.563261898322919
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    207000  -25195.611     -25195.611     -25276.825     -25276.825      314.30856      314.30856      14946.152      14946.152      564.79548      564.79548    
    208000  -25194.129     -25194.129     -25275.727     -25275.727      315.79402      315.79402      14948.92       14948.92      -167.36306     -167.36306    
Loop time of 42.9393 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.012 ns/day, 11.928 hours/ns, 23.289 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.847     | 42.847     | 42.847     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024132   | 0.024132   | 0.024132   |   0.0 |  0.06
Output  | 2.4316e-05 | 2.4316e-05 | 2.4316e-05 |   0.0 |  0.00
Modify  | 0.061388   | 0.061388   | 0.061388   |   0.0 |  0.14
Other   |            | 0.006652   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515930 ave      515930 max      515930 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515930
Ave neighs/atom = 257.965
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.774981801558, Press = 0.508451004765347
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    208000  -25194.129     -25194.129     -25275.727     -25275.727      315.79402      315.79402      14948.92       14948.92      -167.36306     -167.36306    
    209000  -25192.098     -25192.098     -25275.34      -25275.34       322.15222      322.15222      14948.336      14948.336      447.41663      447.41663    
Loop time of 42.9105 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.013 ns/day, 11.920 hours/ns, 23.304 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.818     | 42.818     | 42.818     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024202   | 0.024202   | 0.024202   |   0.0 |  0.06
Output  | 2.7261e-05 | 2.7261e-05 | 2.7261e-05 |   0.0 |  0.00
Modify  | 0.061393   | 0.061393   | 0.061393   |   0.0 |  0.14
Other   |            | 0.006679   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515938 ave      515938 max      515938 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515938
Ave neighs/atom = 257.969
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.77209049332, Press = 0.274887046728666
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    209000  -25192.098     -25192.098     -25275.34      -25275.34       322.15222      322.15222      14948.336      14948.336      447.41663      447.41663    
    210000  -25196.112     -25196.112     -25277.173     -25277.173      313.71568      313.71568      14952.756      14952.756     -2640.7795     -2640.7795    
Loop time of 42.9016 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.014 ns/day, 11.917 hours/ns, 23.309 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.809     | 42.809     | 42.809     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024392   | 0.024392   | 0.024392   |   0.0 |  0.06
Output  | 3.6158e-05 | 3.6158e-05 | 3.6158e-05 |   0.0 |  0.00
Modify  | 0.061561   | 0.061561   | 0.061561   |   0.0 |  0.14
Other   |            | 0.006679   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515920 ave      515920 max      515920 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515920
Ave neighs/atom = 257.96
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.788157532072, Press = 0.313534068325639
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    210000  -25196.112     -25196.112     -25277.173     -25277.173      313.71568      313.71568      14952.756      14952.756     -2640.7795     -2640.7795    
    211000  -25193.009     -25193.009     -25272.817     -25272.817      308.86515      308.86515      14959.327      14959.327     -4532.542      -4532.542     
Loop time of 42.891 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.014 ns/day, 11.914 hours/ns, 23.315 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.799     | 42.799     | 42.799     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024213   | 0.024213   | 0.024213   |   0.0 |  0.06
Output  | 4.278e-05  | 4.278e-05  | 4.278e-05  |   0.0 |  0.00
Modify  | 0.061452   | 0.061452   | 0.061452   |   0.0 |  0.14
Other   |            | 0.006688   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515926 ave      515926 max      515926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515926
Ave neighs/atom = 257.963
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.791628945535, Press = 1.03902256803171
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    211000  -25193.009     -25193.009     -25272.817     -25272.817      308.86515      308.86515      14959.327      14959.327     -4532.542      -4532.542     
    212000  -25196.985     -25196.985     -25277.1       -25277.1        310.05444      310.05444      14931.486      14931.486      7794.9325      7794.9325    
Loop time of 42.9379 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.012 ns/day, 11.927 hours/ns, 23.289 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.845     | 42.845     | 42.845     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024431   | 0.024431   | 0.024431   |   0.0 |  0.06
Output  | 4.3291e-05 | 4.3291e-05 | 4.3291e-05 |   0.0 |  0.00
Modify  | 0.06167    | 0.06167    | 0.06167    |   0.0 |  0.14
Other   |            | 0.006701   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515890 ave      515890 max      515890 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515890
Ave neighs/atom = 257.945
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.803458650062, Press = 0.955717385505765
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    212000  -25196.985     -25196.985     -25277.1       -25277.1        310.05444      310.05444      14931.486      14931.486      7794.9325      7794.9325    
    213000  -25198.843     -25198.843     -25277.784     -25277.784      305.50828      305.50828      14945.894      14945.894      572.85909      572.85909    
Loop time of 42.9919 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.010 ns/day, 11.942 hours/ns, 23.260 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.899     | 42.899     | 42.899     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024302   | 0.024302   | 0.024302   |   0.0 |  0.06
Output  | 2.667e-05  | 2.667e-05  | 2.667e-05  |   0.0 |  0.00
Modify  | 0.061528   | 0.061528   | 0.061528   |   0.0 |  0.14
Other   |            | 0.006699   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515920 ave      515920 max      515920 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515920
Ave neighs/atom = 257.96
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.804642898017, Press = 0.276009183803601
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    213000  -25198.843     -25198.843     -25277.784     -25277.784      305.50828      305.50828      14945.894      14945.894      572.85909      572.85909    
    214000  -25194.993     -25194.993     -25274.676     -25274.676      308.37897      308.37897      14949.408      14949.408     -531.68156     -531.68156    
Loop time of 43.0026 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.009 ns/day, 11.945 hours/ns, 23.254 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.91      | 42.91      | 42.91      |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024391   | 0.024391   | 0.024391   |   0.0 |  0.06
Output  | 2.107e-05  | 2.107e-05  | 2.107e-05  |   0.0 |  0.00
Modify  | 0.061693   | 0.061693   | 0.061693   |   0.0 |  0.14
Other   |            | 0.00673    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515966 ave      515966 max      515966 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515966
Ave neighs/atom = 257.983
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.790531587575, Press = 0.231070552553195
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    214000  -25194.993     -25194.993     -25274.676     -25274.676      308.37897      308.37897      14949.408      14949.408     -531.68156     -531.68156    
    215000  -25196.478     -25196.478     -25276.622     -25276.622      310.16284      310.16284      14954.3        14954.3       -3588.2092     -3588.2092    
Loop time of 43.0139 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.009 ns/day, 11.948 hours/ns, 23.248 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.921     | 42.921     | 42.921     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024264   | 0.024264   | 0.024264   |   0.0 |  0.06
Output  | 2.6831e-05 | 2.6831e-05 | 2.6831e-05 |   0.0 |  0.00
Modify  | 0.061598   | 0.061598   | 0.061598   |   0.0 |  0.14
Other   |            | 0.006713   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515932 ave      515932 max      515932 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515932
Ave neighs/atom = 257.966
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.791682084643, Press = 0.319347139259579
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    215000  -25196.478     -25196.478     -25276.622     -25276.622      310.16284      310.16284      14954.3        14954.3       -3588.2092     -3588.2092    
    216000  -25192.328     -25192.328     -25273.378     -25273.378      313.67126      313.67126      14948.863      14948.863      276.70086      276.70086    
Loop time of 43.0194 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.008 ns/day, 11.950 hours/ns, 23.245 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.927     | 42.927     | 42.927     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024162   | 0.024162   | 0.024162   |   0.0 |  0.06
Output  | 2.7191e-05 | 2.7191e-05 | 2.7191e-05 |   0.0 |  0.00
Modify  | 0.061376   | 0.061376   | 0.061376   |   0.0 |  0.14
Other   |            | 0.006703   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515934 ave      515934 max      515934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515934
Ave neighs/atom = 257.967
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.799643702623, Press = 0.737084275109312
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    216000  -25192.328     -25192.328     -25273.378     -25273.378      313.67126      313.67126      14948.863      14948.863      276.70086      276.70086    
    217000  -25196.349     -25196.349     -25278.65      -25278.65       318.51243      318.51243      14929.362      14929.362      7949.5571      7949.5571    
Loop time of 43.016 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.009 ns/day, 11.949 hours/ns, 23.247 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.922     | 42.922     | 42.922     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024652   | 0.024652   | 0.024652   |   0.0 |  0.06
Output  | 4.3492e-05 | 4.3492e-05 | 4.3492e-05 |   0.0 |  0.00
Modify  | 0.062325   | 0.062325   | 0.062325   |   0.0 |  0.14
Other   |            | 0.006836   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515920 ave      515920 max      515920 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515920
Ave neighs/atom = 257.96
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.804700068561, Press = 0.516175311391854
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    217000  -25196.349     -25196.349     -25278.65      -25278.65       318.51243      318.51243      14929.362      14929.362      7949.5571      7949.5571    
    218000  -25193.884     -25193.884     -25275.586     -25275.586      316.19506      316.19506      14944.127      14944.127      1817.3049      1817.3049    
Loop time of 42.9518 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.012 ns/day, 11.931 hours/ns, 23.282 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.859     | 42.859     | 42.859     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024234   | 0.024234   | 0.024234   |   0.0 |  0.06
Output  | 2.64e-05   | 2.64e-05   | 2.64e-05   |   0.0 |  0.00
Modify  | 0.061665   | 0.061665   | 0.061665   |   0.0 |  0.14
Other   |            | 0.006774   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515964 ave      515964 max      515964 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515964
Ave neighs/atom = 257.982
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.80002767182, Press = -0.101799792737963
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    218000  -25193.884     -25193.884     -25275.586     -25275.586      316.19506      316.19506      14944.127      14944.127      1817.3049      1817.3049    
    219000  -25197.671     -25197.671     -25278.013     -25278.013      310.93477      310.93477      14960.146      14960.146     -6668.2709     -6668.2709    
Loop time of 42.9747 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.010 ns/day, 11.937 hours/ns, 23.270 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.882     | 42.882     | 42.882     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024355   | 0.024355   | 0.024355   |   0.0 |  0.06
Output  | 2.7982e-05 | 2.7982e-05 | 2.7982e-05 |   0.0 |  0.00
Modify  | 0.061667   | 0.061667   | 0.061667   |   0.0 |  0.14
Other   |            | 0.006879   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515938 ave      515938 max      515938 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515938
Ave neighs/atom = 257.969
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.793622059825, Press = 0.198633175031445
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    219000  -25197.671     -25197.671     -25278.013     -25278.013      310.93477      310.93477      14960.146      14960.146     -6668.2709     -6668.2709    
    220000  -25193.034     -25193.034     -25273.334     -25273.334      310.76788      310.76788      14951.884      14951.884     -1033.1301     -1033.1301    
Loop time of 42.9278 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.013 ns/day, 11.924 hours/ns, 23.295 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.835     | 42.835     | 42.835     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024259   | 0.024259   | 0.024259   |   0.0 |  0.06
Output  | 2.6369e-05 | 2.6369e-05 | 2.6369e-05 |   0.0 |  0.00
Modify  | 0.061553   | 0.061553   | 0.061553   |   0.0 |  0.14
Other   |            | 0.006754   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515912 ave      515912 max      515912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515912
Ave neighs/atom = 257.956
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.794043565413, Press = 0.906378313676934
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    220000  -25193.034     -25193.034     -25273.334     -25273.334      310.76788      310.76788      14951.884      14951.884     -1033.1301     -1033.1301    
    221000  -25197.557     -25197.557     -25277.525     -25277.525      309.48539      309.48539      14942.154      14942.154      2386.438       2386.438     
Loop time of 42.9973 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.009 ns/day, 11.944 hours/ns, 23.257 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.905     | 42.905     | 42.905     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024311   | 0.024311   | 0.024311   |   0.0 |  0.06
Output  | 2.1461e-05 | 2.1461e-05 | 2.1461e-05 |   0.0 |  0.00
Modify  | 0.061603   | 0.061603   | 0.061603   |   0.0 |  0.14
Other   |            | 0.006727   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515918 ave      515918 max      515918 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515918
Ave neighs/atom = 257.959
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.789861834864, Press = 0.384090366678422
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    221000  -25197.557     -25197.557     -25277.525     -25277.525      309.48539      309.48539      14942.154      14942.154      2386.438       2386.438     
    222000  -25191.886     -25191.886     -25274.913     -25274.913      321.32092      321.32092      14951.861      14951.861     -1653.4906     -1653.4906    
Loop time of 43.112 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.004 ns/day, 11.976 hours/ns, 23.195 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.019     | 43.019     | 43.019     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024367   | 0.024367   | 0.024367   |   0.0 |  0.06
Output  | 6.1125e-05 | 6.1125e-05 | 6.1125e-05 |   0.0 |  0.00
Modify  | 0.061712   | 0.061712   | 0.061712   |   0.0 |  0.14
Other   |            | 0.006744   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515936 ave      515936 max      515936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515936
Ave neighs/atom = 257.968
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.79804987794, Press = 0.451585855403919
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    222000  -25191.886     -25191.886     -25274.913     -25274.913      321.32092      321.32092      14951.861      14951.861     -1653.4906     -1653.4906    
    223000  -25196.316     -25196.316     -25277.213     -25277.213      313.0799       313.0799       14943.798      14943.798      1615.3241      1615.3241    
Loop time of 43.3869 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.991 ns/day, 12.052 hours/ns, 23.048 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.293     | 43.293     | 43.293     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024759   | 0.024759   | 0.024759   |   0.0 |  0.06
Output  | 6.7567e-05 | 6.7567e-05 | 6.7567e-05 |   0.0 |  0.00
Modify  | 0.062193   | 0.062193   | 0.062193   |   0.0 |  0.14
Other   |            | 0.00676    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515922 ave      515922 max      515922 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515922
Ave neighs/atom = 257.961
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.813966788842, Press = 0.395316054658279
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    223000  -25196.316     -25196.316     -25277.213     -25277.213      313.0799       313.0799       14943.798      14943.798      1615.3241      1615.3241    
    224000  -25192.538     -25192.538     -25273.271     -25273.271      312.44364      312.44364      14955.298      14955.298     -2799.8204     -2799.8204    
Loop time of 43.2377 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.998 ns/day, 12.010 hours/ns, 23.128 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.145     | 43.145     | 43.145     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024381   | 0.024381   | 0.024381   |   0.0 |  0.06
Output  | 3.3853e-05 | 3.3853e-05 | 3.3853e-05 |   0.0 |  0.00
Modify  | 0.061946   | 0.061946   | 0.061946   |   0.0 |  0.14
Other   |            | 0.0067     |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515940 ave      515940 max      515940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515940
Ave neighs/atom = 257.97
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.819445667901, Press = 0.204712659486589
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    224000  -25192.538     -25192.538     -25273.271     -25273.271      312.44364      312.44364      14955.298      14955.298     -2799.8204     -2799.8204    
    225000  -25196.29      -25196.29      -25277.959     -25277.959      316.06735      316.06735      14953.621      14953.621     -3120.5611     -3120.5611    
Loop time of 42.9136 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.013 ns/day, 11.920 hours/ns, 23.303 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.821     | 42.821     | 42.821     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024202   | 0.024202   | 0.024202   |   0.0 |  0.06
Output  | 2.5318e-05 | 2.5318e-05 | 2.5318e-05 |   0.0 |  0.00
Modify  | 0.061479   | 0.061479   | 0.061479   |   0.0 |  0.14
Other   |            | 0.006643   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515920 ave      515920 max      515920 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515920
Ave neighs/atom = 257.96
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.835891292463, Press = 0.553784903090764
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    225000  -25196.29      -25196.29      -25277.959     -25277.959      316.06735      316.06735      14953.621      14953.621     -3120.5611     -3120.5611    
    226000  -25192.411     -25192.411     -25274.996     -25274.996      319.61113      319.61113      14942.22       14942.22       3408.829       3408.829     
Loop time of 43.0031 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.009 ns/day, 11.945 hours/ns, 23.254 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.91      | 42.91      | 42.91      |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024249   | 0.024249   | 0.024249   |   0.0 |  0.06
Output  | 3.4555e-05 | 3.4555e-05 | 3.4555e-05 |   0.0 |  0.00
Modify  | 0.061772   | 0.061772   | 0.061772   |   0.0 |  0.14
Other   |            | 0.00669    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515938 ave      515938 max      515938 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515938
Ave neighs/atom = 257.969
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.841087588911, Press = 0.843144347250579
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    226000  -25192.411     -25192.411     -25274.996     -25274.996      319.61113      319.61113      14942.22       14942.22       3408.829       3408.829     
    227000  -25197.003     -25197.003     -25277.882     -25277.882      313.01146      313.01146      14925.709      14925.709      10157.113      10157.113    
Loop time of 42.8947 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.014 ns/day, 11.915 hours/ns, 23.313 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.803     | 42.803     | 42.803     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024157   | 0.024157   | 0.024157   |   0.0 |  0.06
Output  | 4.3672e-05 | 4.3672e-05 | 4.3672e-05 |   0.0 |  0.00
Modify  | 0.06139    | 0.06139    | 0.06139    |   0.0 |  0.14
Other   |            | 0.006635   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515914 ave      515914 max      515914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515914
Ave neighs/atom = 257.957
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.844642994634, Press = 0.0549457969068177
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    227000  -25197.003     -25197.003     -25277.882     -25277.882      313.01146      313.01146      14925.709      14925.709      10157.113      10157.113    
    228000  -25194.713     -25194.713     -25273.613     -25273.613      305.35381      305.35381      14955.846      14955.846     -3171.6382     -3171.6382    
Loop time of 42.9289 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.013 ns/day, 11.925 hours/ns, 23.294 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.837     | 42.837     | 42.837     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024171   | 0.024171   | 0.024171   |   0.0 |  0.06
Output  | 2.134e-05  | 2.134e-05  | 2.134e-05  |   0.0 |  0.00
Modify  | 0.061428   | 0.061428   | 0.061428   |   0.0 |  0.14
Other   |            | 0.006685   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515966 ave      515966 max      515966 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515966
Ave neighs/atom = 257.983
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.843593036894, Press = -0.166074036428039
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    228000  -25194.713     -25194.713     -25273.613     -25273.613      305.35381      305.35381      14955.846      14955.846     -3171.6382     -3171.6382    
    229000  -25196.7       -25196.7       -25275.425     -25275.425      304.67417      304.67417      14953.717      14953.717     -2662.059      -2662.059     
Loop time of 42.9811 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.010 ns/day, 11.939 hours/ns, 23.266 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.889     | 42.889     | 42.889     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024239   | 0.024239   | 0.024239   |   0.0 |  0.06
Output  | 2.7111e-05 | 2.7111e-05 | 2.7111e-05 |   0.0 |  0.00
Modify  | 0.061389   | 0.061389   | 0.061389   |   0.0 |  0.14
Other   |            | 0.006677   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515910 ave      515910 max      515910 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515910
Ave neighs/atom = 257.955
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.843342135247, Press = 0.605225422132081
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    229000  -25196.7       -25196.7       -25275.425     -25275.425      304.67417      304.67417      14953.717      14953.717     -2662.059      -2662.059     
    230000  -25198.962     -25198.962     -25277.004     -25277.004      302.03044      302.03044      14936.107      14936.107      5151.084       5151.084     
Loop time of 43.0259 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.008 ns/day, 11.952 hours/ns, 23.242 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.933     | 42.933     | 42.933     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024281   | 0.024281   | 0.024281   |   0.0 |  0.06
Output  | 5.4041e-05 | 5.4041e-05 | 5.4041e-05 |   0.0 |  0.00
Modify  | 0.061496   | 0.061496   | 0.061496   |   0.0 |  0.14
Other   |            | 0.00669    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515928 ave      515928 max      515928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515928
Ave neighs/atom = 257.964
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.846491288791, Press = 0.591308437784031
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    230000  -25198.962     -25198.962     -25277.004     -25277.004      302.03044      302.03044      14936.107      14936.107      5151.084       5151.084     
    231000  -25193.867     -25193.867     -25276.679     -25276.679      320.49224      320.49224      14944.666      14944.666      1646.9894      1646.9894    
Loop time of 43.1868 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.001 ns/day, 11.996 hours/ns, 23.155 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.094     | 43.094     | 43.094     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024377   | 0.024377   | 0.024377   |   0.0 |  0.06
Output  | 2.7712e-05 | 2.7712e-05 | 2.7712e-05 |   0.0 |  0.00
Modify  | 0.061753   | 0.061753   | 0.061753   |   0.0 |  0.14
Other   |            | 0.006662   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515932 ave      515932 max      515932 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515932
Ave neighs/atom = 257.966
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.835041001984, Press = 0.181792843715056
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    231000  -25193.867     -25193.867     -25276.679     -25276.679      320.49224      320.49224      14944.666      14944.666      1646.9894      1646.9894    
    232000  -25196.336     -25196.336     -25278.793     -25278.793      319.11994      319.11994      14963.38       14963.38      -8570.3106     -8570.3106    
Loop time of 43.1286 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.003 ns/day, 11.980 hours/ns, 23.186 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.036     | 43.036     | 43.036     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024299   | 0.024299   | 0.024299   |   0.0 |  0.06
Output  | 2.123e-05  | 2.123e-05  | 2.123e-05  |   0.0 |  0.00
Modify  | 0.061651   | 0.061651   | 0.061651   |   0.0 |  0.14
Other   |            | 0.006684   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515962 ave      515962 max      515962 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515962
Ave neighs/atom = 257.981
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.831821188805, Press = 0.160099869088828
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    232000  -25196.336     -25196.336     -25278.793     -25278.793      319.11994      319.11994      14963.38       14963.38      -8570.3106     -8570.3106    
    233000  -25193.029     -25193.029     -25274.101     -25274.101      313.75833      313.75833      14947.855      14947.855      261.44131      261.44131    
Loop time of 43.2086 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.000 ns/day, 12.002 hours/ns, 23.144 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.116     | 43.116     | 43.116     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024302   | 0.024302   | 0.024302   |   0.0 |  0.06
Output  | 2.7271e-05 | 2.7271e-05 | 2.7271e-05 |   0.0 |  0.00
Modify  | 0.061759   | 0.061759   | 0.061759   |   0.0 |  0.14
Other   |            | 0.006707   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515948 ave      515948 max      515948 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515948
Ave neighs/atom = 257.974
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.835409803905, Press = 1.18076844023858
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    233000  -25193.029     -25193.029     -25274.101     -25274.101      313.75833      313.75833      14947.855      14947.855      261.44131      261.44131    
    234000  -25195.072     -25195.072     -25276.117     -25276.117      313.65255      313.65255      14940.265      14940.265      3564.3143      3564.3143    
Loop time of 43.2459 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.998 ns/day, 12.013 hours/ns, 23.124 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.153     | 43.153     | 43.153     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024397   | 0.024397   | 0.024397   |   0.0 |  0.06
Output  | 2.651e-05  | 2.651e-05  | 2.651e-05  |   0.0 |  0.00
Modify  | 0.061839   | 0.061839   | 0.061839   |   0.0 |  0.14
Other   |            | 0.006702   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515914 ave      515914 max      515914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515914
Ave neighs/atom = 257.957
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.849042235959, Press = 0.488970255943893
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    234000  -25195.072     -25195.072     -25276.117     -25276.117      313.65255      313.65255      14940.265      14940.265      3564.3143      3564.3143    
    235000  -25194.141     -25194.141     -25276.554     -25276.554      318.94444      318.94444      14942.489      14942.489      2345.9548      2345.9548    
Loop time of 43.3709 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.992 ns/day, 12.047 hours/ns, 23.057 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.278     | 43.278     | 43.278     |   0.0 | 99.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024476   | 0.024476   | 0.024476   |   0.0 |  0.06
Output  | 2.3915e-05 | 2.3915e-05 | 2.3915e-05 |   0.0 |  0.00
Modify  | 0.061957   | 0.061957   | 0.061957   |   0.0 |  0.14
Other   |            | 0.006691   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515928 ave      515928 max      515928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515928
Ave neighs/atom = 257.964
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.850551839373, Press = 0.193028117228496
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    235000  -25194.141     -25194.141     -25276.554     -25276.554      318.94444      318.94444      14942.489      14942.489      2345.9548      2345.9548    
    236000  -25196.069     -25196.069     -25274.901     -25274.901      305.08549      305.08549      14951.695      14951.695     -1605.5707     -1605.5707    
Loop time of 43.0279 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.008 ns/day, 11.952 hours/ns, 23.241 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.934     | 42.934     | 42.934     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024428   | 0.024428   | 0.024428   |   0.0 |  0.06
Output  | 3.9264e-05 | 3.9264e-05 | 3.9264e-05 |   0.0 |  0.00
Modify  | 0.062713   | 0.062713   | 0.062713   |   0.0 |  0.15
Other   |            | 0.006808   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515934 ave      515934 max      515934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515934
Ave neighs/atom = 257.967
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.865678932868, Press = 0.408090538327851
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    236000  -25196.069     -25196.069     -25274.901     -25274.901      305.08549      305.08549      14951.695      14951.695     -1605.5707     -1605.5707    
    237000  -25193.746     -25193.746     -25276.202     -25276.202      319.11302      319.11302      14948.65       14948.65      -233.56487     -233.56487    
Loop time of 43.084 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.005 ns/day, 11.968 hours/ns, 23.210 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.991     | 42.991     | 42.991     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024289   | 0.024289   | 0.024289   |   0.0 |  0.06
Output  | 3.7921e-05 | 3.7921e-05 | 3.7921e-05 |   0.0 |  0.00
Modify  | 0.062389   | 0.062389   | 0.062389   |   0.0 |  0.14
Other   |            | 0.006785   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515932 ave      515932 max      515932 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515932
Ave neighs/atom = 257.966
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.869249940838, Press = 0.569505385698369
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    237000  -25193.746     -25193.746     -25276.202     -25276.202      319.11302      319.11302      14948.65       14948.65      -233.56487     -233.56487    
    238000  -25199.071     -25199.071     -25277.46      -25277.46       303.37373      303.37373      14934.896      14934.896      5382.2186      5382.2186    
Loop time of 43.1492 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.002 ns/day, 11.986 hours/ns, 23.175 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.056     | 43.056     | 43.056     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024358   | 0.024358   | 0.024358   |   0.0 |  0.06
Output  | 2.9916e-05 | 2.9916e-05 | 2.9916e-05 |   0.0 |  0.00
Modify  | 0.062129   | 0.062129   | 0.062129   |   0.0 |  0.14
Other   |            | 0.006742   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515894 ave      515894 max      515894 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515894
Ave neighs/atom = 257.947
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.862713034841, Press = 0.653019167263113
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    238000  -25199.071     -25199.071     -25277.46      -25277.46       303.37373      303.37373      14934.896      14934.896      5382.2186      5382.2186    
    239000  -25194.831     -25194.831     -25276.883     -25276.883      317.54856      317.54856      14938.243      14938.243      4351.6125      4351.6125    
Loop time of 43.1645 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.002 ns/day, 11.990 hours/ns, 23.167 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.071     | 43.071     | 43.071     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024508   | 0.024508   | 0.024508   |   0.0 |  0.06
Output  | 4.0636e-05 | 4.0636e-05 | 4.0636e-05 |   0.0 |  0.00
Modify  | 0.062038   | 0.062038   | 0.062038   |   0.0 |  0.14
Other   |            | 0.006735   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515976 ave      515976 max      515976 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515976
Ave neighs/atom = 257.988
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.866398268725, Press = -0.101607536422615
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    239000  -25194.831     -25194.831     -25276.883     -25276.883      317.54856      317.54856      14938.243      14938.243      4351.6125      4351.6125    
    240000  -25195.001     -25195.001     -25276.48      -25276.48       315.33309      315.33309      14966.261      14966.261     -9086.4802     -9086.4802    
Loop time of 43.0247 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.008 ns/day, 11.951 hours/ns, 23.242 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.932     | 42.932     | 42.932     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024263   | 0.024263   | 0.024263   |   0.0 |  0.06
Output  | 4.798e-05  | 4.798e-05  | 4.798e-05  |   0.0 |  0.00
Modify  | 0.061733   | 0.061733   | 0.061733   |   0.0 |  0.14
Other   |            | 0.006697   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515924 ave      515924 max      515924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515924
Ave neighs/atom = 257.962
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.866825705422, Press = -0.0834208151757553
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    240000  -25195.001     -25195.001     -25276.48      -25276.48       315.33309      315.33309      14966.261      14966.261     -9086.4802     -9086.4802    
    241000  -25197.518     -25197.518     -25275.211     -25275.211      300.67928      300.67928      14950.821      14950.821     -1087.0274     -1087.0274    
Loop time of 43.0148 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.009 ns/day, 11.949 hours/ns, 23.248 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.922     | 42.922     | 42.922     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024196   | 0.024196   | 0.024196   |   0.0 |  0.06
Output  | 3.5387e-05 | 3.5387e-05 | 3.5387e-05 |   0.0 |  0.00
Modify  | 0.061707   | 0.061707   | 0.061707   |   0.0 |  0.14
Other   |            | 0.006705   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515918 ave      515918 max      515918 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515918
Ave neighs/atom = 257.959
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.863809844415, Press = 0.777164428380784
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    241000  -25197.518     -25197.518     -25275.211     -25275.211      300.67928      300.67928      14950.821      14950.821     -1087.0274     -1087.0274    
    242000  -25193.617     -25193.617     -25274.669     -25274.669      313.67985      313.67985      14941.316      14941.316      3601.6144      3601.6144    
Loop time of 43.023 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.008 ns/day, 11.951 hours/ns, 23.243 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.93      | 42.93      | 42.93      |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024268   | 0.024268   | 0.024268   |   0.0 |  0.06
Output  | 2.4195e-05 | 2.4195e-05 | 2.4195e-05 |   0.0 |  0.00
Modify  | 0.061577   | 0.061577   | 0.061577   |   0.0 |  0.14
Other   |            | 0.006708   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515908 ave      515908 max      515908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515908
Ave neighs/atom = 257.954
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.851519755024, Press = 0.26708703446434
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    242000  -25193.617     -25193.617     -25274.669     -25274.669      313.67985      313.67985      14941.316      14941.316      3601.6144      3601.6144    
    243000  -25196.028     -25196.028     -25276.605     -25276.605      311.83906      311.83906      14947.842      14947.842      82.582182      82.582182    
Loop time of 43.0142 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.009 ns/day, 11.948 hours/ns, 23.248 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.921     | 42.921     | 42.921     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024454   | 0.024454   | 0.024454   |   0.0 |  0.06
Output  | 4.287e-05  | 4.287e-05  | 4.287e-05  |   0.0 |  0.00
Modify  | 0.061649   | 0.061649   | 0.061649   |   0.0 |  0.14
Other   |            | 0.006676   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515926 ave      515926 max      515926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515926
Ave neighs/atom = 257.963
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.857056662972, Press = 0.331837353696791
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    243000  -25196.028     -25196.028     -25276.605     -25276.605      311.83906      311.83906      14947.842      14947.842      82.582182      82.582182    
    244000  -25191.008     -25191.008     -25273.645     -25273.645      319.81228      319.81228      14953.772      14953.772     -1987.6162     -1987.6162    
Loop time of 42.9856 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.010 ns/day, 11.940 hours/ns, 23.264 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.893     | 42.893     | 42.893     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024408   | 0.024408   | 0.024408   |   0.0 |  0.06
Output  | 4.1448e-05 | 4.1448e-05 | 4.1448e-05 |   0.0 |  0.00
Modify  | 0.06167    | 0.06167    | 0.06167    |   0.0 |  0.14
Other   |            | 0.00672    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515916 ave      515916 max      515916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515916
Ave neighs/atom = 257.958
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.866085003929, Press = 0.0638381668378639
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    244000  -25191.008     -25191.008     -25273.645     -25273.645      319.81228      319.81228      14953.772      14953.772     -1987.6162     -1987.6162    
    245000  -25197.006     -25197.006     -25277.216     -25277.216      310.41984      310.41984      14960.311      14960.311     -6664.3913     -6664.3913    
Loop time of 43.016 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.009 ns/day, 11.949 hours/ns, 23.247 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.923     | 42.923     | 42.923     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024284   | 0.024284   | 0.024284   |   0.0 |  0.06
Output  | 3.717e-05  | 3.717e-05  | 3.717e-05  |   0.0 |  0.00
Modify  | 0.061648   | 0.061648   | 0.061648   |   0.0 |  0.14
Other   |            | 0.006719   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515928 ave      515928 max      515928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515928
Ave neighs/atom = 257.964
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.874862708596, Press = 0.57840056431151
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    245000  -25197.006     -25197.006     -25277.216     -25277.216      310.41984      310.41984      14960.311      14960.311     -6664.3913     -6664.3913    
    246000  -25193.883     -25193.883     -25275.169     -25275.169      314.58248      314.58248      14938.775      14938.775      4507.0975      4507.0975    
Loop time of 42.9903 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.010 ns/day, 11.942 hours/ns, 23.261 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.898     | 42.898     | 42.898     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024202   | 0.024202   | 0.024202   |   0.0 |  0.06
Output  | 2.3534e-05 | 2.3534e-05 | 2.3534e-05 |   0.0 |  0.00
Modify  | 0.061587   | 0.061587   | 0.061587   |   0.0 |  0.14
Other   |            | 0.006668   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515926 ave      515926 max      515926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515926
Ave neighs/atom = 257.963
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.874398912749, Press = 0.837621384135708
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    246000  -25193.883     -25193.883     -25275.169     -25275.169      314.58248      314.58248      14938.775      14938.775      4507.0975      4507.0975    
    247000  -25194.059     -25194.059     -25274.918     -25274.918      312.93488      312.93488      14943.928      14943.928      2149.0379      2149.0379    
Loop time of 42.986 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.010 ns/day, 11.941 hours/ns, 23.263 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.893     | 42.893     | 42.893     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024311   | 0.024311   | 0.024311   |   0.0 |  0.06
Output  | 8.3677e-05 | 8.3677e-05 | 8.3677e-05 |   0.0 |  0.00
Modify  | 0.061614   | 0.061614   | 0.061614   |   0.0 |  0.14
Other   |            | 0.0067     |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515948 ave      515948 max      515948 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515948
Ave neighs/atom = 257.974
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.88566445984, Press = 0.0272901071958666
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    247000  -25194.059     -25194.059     -25274.918     -25274.918      312.93488      312.93488      14943.928      14943.928      2149.0379      2149.0379    
    248000  -25193.58      -25193.58      -25275.35      -25275.35       316.45715      316.45715      14950.531      14950.531     -1077.419      -1077.419     
Loop time of 43.0024 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.009 ns/day, 11.945 hours/ns, 23.255 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.91      | 42.91      | 42.91      |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024274   | 0.024274   | 0.024274   |   0.0 |  0.06
Output  | 4.1137e-05 | 4.1137e-05 | 4.1137e-05 |   0.0 |  0.00
Modify  | 0.061598   | 0.061598   | 0.061598   |   0.0 |  0.14
Other   |            | 0.006703   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515922 ave      515922 max      515922 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515922
Ave neighs/atom = 257.961
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.890900559892, Press = 0.399153051794553
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    248000  -25193.58      -25193.58      -25275.35      -25275.35       316.45715      316.45715      14950.531      14950.531     -1077.419      -1077.419     
    249000  -25197.05      -25197.05      -25277.734     -25277.734      312.25327      312.25327      14946.74       14946.74      -156.74144     -156.74144    
Loop time of 43.0135 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.009 ns/day, 11.948 hours/ns, 23.249 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.921     | 42.921     | 42.921     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024304   | 0.024304   | 0.024304   |   0.0 |  0.06
Output  | 2.4346e-05 | 2.4346e-05 | 2.4346e-05 |   0.0 |  0.00
Modify  | 0.061605   | 0.061605   | 0.061605   |   0.0 |  0.14
Other   |            | 0.006704   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515942 ave      515942 max      515942 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515942
Ave neighs/atom = 257.971
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.892964739446, Press = 0.268990577527955
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    249000  -25197.05      -25197.05      -25277.734     -25277.734      312.25327      312.25327      14946.74       14946.74      -156.74144     -156.74144    
    250000  -25190.889     -25190.889     -25274.098     -25274.098      322.02898      322.02898      14946.764      14946.764      998.12765      998.12765    
Loop time of 43.0033 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.009 ns/day, 11.945 hours/ns, 23.254 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.911     | 42.911     | 42.911     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024226   | 0.024226   | 0.024226   |   0.0 |  0.06
Output  | 4.3161e-05 | 4.3161e-05 | 4.3161e-05 |   0.0 |  0.00
Modify  | 0.061581   | 0.061581   | 0.061581   |   0.0 |  0.14
Other   |            | 0.006687   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515928 ave      515928 max      515928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515928
Ave neighs/atom = 257.964
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.906018561144, Press = 0.497409364327364
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    250000  -25190.889     -25190.889     -25274.098     -25274.098      322.02898      322.02898      14946.764      14946.764      998.12765      998.12765    
    251000  -25195.712     -25195.712     -25276.684     -25276.684      313.36834      313.36834      14950.432      14950.432     -1270.6098     -1270.6098    
Loop time of 43.0229 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.008 ns/day, 11.951 hours/ns, 23.243 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.93      | 42.93      | 42.93      |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024286   | 0.024286   | 0.024286   |   0.0 |  0.06
Output  | 4.2731e-05 | 4.2731e-05 | 4.2731e-05 |   0.0 |  0.00
Modify  | 0.06169    | 0.06169    | 0.06169    |   0.0 |  0.14
Other   |            | 0.006695   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515924 ave      515924 max      515924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515924
Ave neighs/atom = 257.962
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.910961027599, Press = 0.257410107502869
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    251000  -25195.712     -25195.712     -25276.684     -25276.684      313.36834      313.36834      14950.432      14950.432     -1270.6098     -1270.6098    
    252000  -25191.677     -25191.677     -25273.074     -25273.074      315.01518      315.01518      14956.284      14956.284     -3062.057      -3062.057     
Loop time of 43.0173 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.008 ns/day, 11.949 hours/ns, 23.246 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.925     | 42.925     | 42.925     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024349   | 0.024349   | 0.024349   |   0.0 |  0.06
Output  | 3.9865e-05 | 3.9865e-05 | 3.9865e-05 |   0.0 |  0.00
Modify  | 0.061764   | 0.061764   | 0.061764   |   0.0 |  0.14
Other   |            | 0.006686   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515932 ave      515932 max      515932 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515932
Ave neighs/atom = 257.966
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.923817912846, Press = 0.422150092991853
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    252000  -25191.677     -25191.677     -25273.074     -25273.074      315.01518      315.01518      14956.284      14956.284     -3062.057      -3062.057     
    253000  -25194.574     -25194.574     -25276.706     -25276.706      317.85725      317.85725      14941.432      14941.432      3111.1365      3111.1365    
Loop time of 43.0388 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.007 ns/day, 11.955 hours/ns, 23.235 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.946     | 42.946     | 42.946     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024324   | 0.024324   | 0.024324   |   0.0 |  0.06
Output  | 2.3855e-05 | 2.3855e-05 | 2.3855e-05 |   0.0 |  0.00
Modify  | 0.061614   | 0.061614   | 0.061614   |   0.0 |  0.14
Other   |            | 0.006693   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7005 ave        7005 max        7005 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515916 ave      515916 max      515916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515916
Ave neighs/atom = 257.958
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.92878848614, Press = 0.833290644553628
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    253000  -25194.574     -25194.574     -25276.706     -25276.706      317.85725      317.85725      14941.432      14941.432      3111.1365      3111.1365    
    254000  -25198.225     -25198.225     -25278.724     -25278.724      311.53837      311.53837      14928.664      14928.664      8280.4317      8280.4317    
Loop time of 43.0185 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.008 ns/day, 11.950 hours/ns, 23.246 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.926     | 42.926     | 42.926     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024266   | 0.024266   | 0.024266   |   0.0 |  0.06
Output  | 4.3331e-05 | 4.3331e-05 | 4.3331e-05 |   0.0 |  0.00
Modify  | 0.061678   | 0.061678   | 0.061678   |   0.0 |  0.14
Other   |            | 0.006716   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515938 ave      515938 max      515938 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515938
Ave neighs/atom = 257.969
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.926243768267, Press = 0.0979168809276392
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    254000  -25198.225     -25198.225     -25278.724     -25278.724      311.53837      311.53837      14928.664      14928.664      8280.4317      8280.4317    
    255000  -25192.091     -25192.091     -25273.892     -25273.892      316.57781      316.57781      14957.413      14957.413     -3768.0383     -3768.0383    
Loop time of 42.9985 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.009 ns/day, 11.944 hours/ns, 23.257 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.906     | 42.906     | 42.906     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024214   | 0.024214   | 0.024214   |   0.0 |  0.06
Output  | 4.1919e-05 | 4.1919e-05 | 4.1919e-05 |   0.0 |  0.00
Modify  | 0.061601   | 0.061601   | 0.061601   |   0.0 |  0.14
Other   |            | 0.006685   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515938 ave      515938 max      515938 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515938
Ave neighs/atom = 257.969
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.927753772892, Press = 0.0114992000309643
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    255000  -25192.091     -25192.091     -25273.892     -25273.892      316.57781      316.57781      14957.413      14957.413     -3768.0383     -3768.0383    
    256000  -25196.269     -25196.269     -25275.065     -25275.065      304.94618      304.94618      14949.269      14949.269     -431.61098     -431.61098    
Loop time of 42.9751 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.010 ns/day, 11.938 hours/ns, 23.269 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.882     | 42.882     | 42.882     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024275   | 0.024275   | 0.024275   |   0.0 |  0.06
Output  | 2.3594e-05 | 2.3594e-05 | 2.3594e-05 |   0.0 |  0.00
Modify  | 0.061592   | 0.061592   | 0.061592   |   0.0 |  0.14
Other   |            | 0.006701   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515932 ave      515932 max      515932 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515932
Ave neighs/atom = 257.966
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.934388601118, Press = 0.339829490733554
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    256000  -25196.269     -25196.269     -25275.065     -25275.065      304.94618      304.94618      14949.269      14949.269     -431.61098     -431.61098    
    257000  -25194.04      -25194.04      -25275.833     -25275.833      316.54958      316.54958      14951.439      14951.439     -1447.2088     -1447.2088    
Loop time of 42.9743 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.011 ns/day, 11.937 hours/ns, 23.270 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.882     | 42.882     | 42.882     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024251   | 0.024251   | 0.024251   |   0.0 |  0.06
Output  | 4.3111e-05 | 4.3111e-05 | 4.3111e-05 |   0.0 |  0.00
Modify  | 0.061595   | 0.061595   | 0.061595   |   0.0 |  0.14
Other   |            | 0.006682   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515906 ave      515906 max      515906 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515906
Ave neighs/atom = 257.953
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.94698939597, Press = 0.372978933996852
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    257000  -25194.04      -25194.04      -25275.833     -25275.833      316.54958      316.54958      14951.439      14951.439     -1447.2088     -1447.2088    
    258000  -25192.842     -25192.842     -25276.096     -25276.096      322.19802      322.19802      14947.446      14947.446      139.85684      139.85684    
Loop time of 42.9973 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.009 ns/day, 11.944 hours/ns, 23.257 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.905     | 42.905     | 42.905     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024279   | 0.024279   | 0.024279   |   0.0 |  0.06
Output  | 4.6878e-05 | 4.6878e-05 | 4.6878e-05 |   0.0 |  0.00
Modify  | 0.061627   | 0.061627   | 0.061627   |   0.0 |  0.14
Other   |            | 0.006714   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515920 ave      515920 max      515920 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515920
Ave neighs/atom = 257.96
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.951904786858, Press = 0.274998477194508
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    258000  -25192.842     -25192.842     -25276.096     -25276.096      322.19802      322.19802      14947.446      14947.446      139.85684      139.85684    
    259000  -25195.287     -25195.287     -25278.058     -25278.058      320.33314      320.33314      14948.438      14948.438     -963.99201     -963.99201    
Loop time of 43.0179 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.008 ns/day, 11.949 hours/ns, 23.246 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.925     | 42.925     | 42.925     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024304   | 0.024304   | 0.024304   |   0.0 |  0.06
Output  | 3.69e-05   | 3.69e-05   | 3.69e-05   |   0.0 |  0.00
Modify  | 0.061606   | 0.061606   | 0.061606   |   0.0 |  0.14
Other   |            | 0.006714   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515948 ave      515948 max      515948 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515948
Ave neighs/atom = 257.974
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.956887308399, Press = 0.371053160449759
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    259000  -25195.287     -25195.287     -25278.058     -25278.058      320.33314      320.33314      14948.438      14948.438     -963.99201     -963.99201    
    260000  -25195.835     -25195.835     -25276.18      -25276.18       310.9443       310.9443       14947.205      14947.205     -101.85706     -101.85706    
Loop time of 43.0418 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.007 ns/day, 11.956 hours/ns, 23.233 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.949     | 42.949     | 42.949     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024288   | 0.024288   | 0.024288   |   0.0 |  0.06
Output  | 2.4466e-05 | 2.4466e-05 | 2.4466e-05 |   0.0 |  0.00
Modify  | 0.061544   | 0.061544   | 0.061544   |   0.0 |  0.14
Other   |            | 0.006722   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515934 ave      515934 max      515934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515934
Ave neighs/atom = 257.967
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.958993872456, Press = 0.408520054060916
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    260000  -25195.835     -25195.835     -25276.18      -25276.18       310.9443       310.9443       14947.205      14947.205     -101.85706     -101.85706    
    261000  -25194.989     -25194.989     -25277.641     -25277.641      319.87115      319.87115      14942.478      14942.478      2067.0278      2067.0278    
Loop time of 43.0233 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.008 ns/day, 11.951 hours/ns, 23.243 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.931     | 42.931     | 42.931     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024232   | 0.024232   | 0.024232   |   0.0 |  0.06
Output  | 4.2149e-05 | 4.2149e-05 | 4.2149e-05 |   0.0 |  0.00
Modify  | 0.061614   | 0.061614   | 0.061614   |   0.0 |  0.14
Other   |            | 0.006728   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515928 ave      515928 max      515928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515928
Ave neighs/atom = 257.964
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.958097345747, Press = 0.328054457403033
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5466
  ghost atom cutoff = 7.5466
  binsize = 3.7733, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.5466
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.426 | 5.426 | 5.426 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    261000  -25194.989     -25194.989     -25277.641     -25277.641      319.87115      319.87115      14942.478      14942.478      2067.0278      2067.0278    
    262000  -25192.456     -25192.456     -25274.451     -25274.451      317.33072      317.33072      14953.279      14953.279     -2058.2449     -2058.2449    
Loop time of 42.9838 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.010 ns/day, 11.940 hours/ns, 23.265 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.891     | 42.891     | 42.891     |   0.0 | 99.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024265   | 0.024265   | 0.024265   |   0.0 |  0.06
Output  | 4.1989e-05 | 4.1989e-05 | 4.1989e-05 |   0.0 |  0.00
Modify  | 0.061604   | 0.061604   | 0.061604   |   0.0 |  0.14
Other   |            | 0.006707   |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       515936 ave      515936 max      515936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 515936
Ave neighs/atom = 257.968
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T313.15.out"  else  "print 'not_converged'  file output/vol_T313.15.out"
print '${V}'  file output/vol_T313.15.out
14947.6951647382

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0