# 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 2.870000079274177*${_u_distance}
variable latticeconst_converted equal 2.870000079274177*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.87000007927418
Lattice spacing in x,y,z = 2.8700001 2.8700001 2.8700001
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (28.700001 28.700001 28.700001)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 2000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (28.700001 28.700001 28.700001)
  create_atoms CPU = 0.001 seconds

variable mass_converted equal 55.845*${_u_mass}
variable mass_converted equal 55.845*1

kim_interactions Fe

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

kim interactions Fe
#=== BEGIN kim interactions ==================================
pair_style kim EAM_Dynamo_Olsson_2009_Fe__MO_024705128470_000
pair_coeff * * Fe
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 55.845

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 23639.9049589205    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 23639.9049589205/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 23639.9049589205/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 23639.9049589205/(1*1*${_u_distance})
variable      V0_metal equal 23639.9049589205/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 23639.9049589205*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 23639.9049589205 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 253.15*${_u_temperature}
variable temp_converted equal 253.15*1
variable Tdamp_converted equal 0.1*${_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 253.15 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 253.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 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  "253.15 - 0.2"
variable      T_up  equal  "253.15 + 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_024705128470_000#item-citation

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -8494.5882   -8494.5882   -8559.9999   -8559.9999       253.15       253.15    23639.905    23639.905    2955.4664    2955.4664 
    1000   -8427.5528   -8427.5528   -8496.5176   -8496.5176     266.9006     266.9006    23923.792    23923.792   -3856.6827   -3856.6827 
Loop time of 6.05119 on 1 procs for 1000 steps with 2000 atoms

Performance: 14.278 ns/day, 1.681 hours/ns, 165.257 timesteps/s
93.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.8332     | 5.8332     | 5.8332     |   0.0 | 96.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035922   | 0.035922   | 0.035922   |   0.0 |  0.59
Output  | 0.00020526 | 0.00020526 | 0.00020526 |   0.0 |  0.00
Modify  | 0.15769    | 0.15769    | 0.15769    |   0.0 |  2.61
Other   |            | 0.02421    |            |       |  0.40

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128000.0 ave      128000 max      128000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128000
Ave neighs/atom = 64.000000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -8427.5528   -8427.5528   -8496.5176   -8496.5176     266.9006     266.9006    23923.792    23923.792   -3856.6827   -3856.6827 
    2000   -8426.9703   -8426.9703   -8493.2795   -8493.2795    256.62355    256.62355    23855.913    23855.913    1156.1409    1156.1409 
Loop time of 6.25823 on 1 procs for 1000 steps with 2000 atoms

Performance: 13.806 ns/day, 1.738 hours/ns, 159.790 timesteps/s
94.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 6.046      | 6.046      | 6.046      |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035585   | 0.035585   | 0.035585   |   0.0 |  0.57
Output  | 0.00011057 | 0.00011057 | 0.00011057 |   0.0 |  0.00
Modify  | 0.15276    | 0.15276    | 0.15276    |   0.0 |  2.44
Other   |            | 0.02381    |            |       |  0.38

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131330.0 ave      131330 max      131330 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131330
Ave neighs/atom = 65.665000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -8426.9703   -8426.9703   -8493.2795   -8493.2795    256.62355    256.62355    23855.913    23855.913    1156.1409    1156.1409 
    3000   -8428.9442   -8428.9442   -8492.9239   -8492.9239    247.60801    247.60801    23880.926    23880.926   -578.56232   -578.56232 
Loop time of 5.56687 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.520 ns/day, 1.546 hours/ns, 179.634 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3787     | 5.3787     | 5.3787     |   0.0 | 96.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032361   | 0.032361   | 0.032361   |   0.0 |  0.58
Output  | 9.3565e-05 | 9.3565e-05 | 9.3565e-05 |   0.0 |  0.00
Modify  | 0.13702    | 0.13702    | 0.13702    |   0.0 |  2.46
Other   |            | 0.0187     |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132062.0 ave      132062 max      132062 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132062
Ave neighs/atom = 66.031000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -8428.9442   -8428.9442   -8492.9239   -8492.9239    247.60801    247.60801    23880.926    23880.926   -578.56232   -578.56232 
    4000   -8425.9868   -8425.9868   -8488.9131   -8488.9131    243.53109    243.53109    23853.685    23853.685    2150.6125    2150.6125 
Loop time of 5.69415 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.173 ns/day, 1.582 hours/ns, 175.619 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    | 5.4977     | 5.4977     | 5.4977     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033512   | 0.033512   | 0.033512   |   0.0 |  0.59
Output  | 9.0873e-05 | 9.0873e-05 | 9.0873e-05 |   0.0 |  0.00
Modify  | 0.14252    | 0.14252    | 0.14252    |   0.0 |  2.50
Other   |            | 0.02037    |            |       |  0.36

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131730.0 ave      131730 max      131730 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131730
Ave neighs/atom = 65.865000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -8425.9868   -8425.9868   -8488.9131   -8488.9131    243.53109    243.53109    23853.685    23853.685    2150.6125    2150.6125 
    5000   -8429.5081   -8429.5081   -8493.3577   -8493.3577    247.10456    247.10456    23901.296    23901.296   -1934.8477   -1934.8477 
Loop time of 5.69841 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.162 ns/day, 1.583 hours/ns, 175.487 timesteps/s
97.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.5102     | 5.5102     | 5.5102     |   0.0 | 96.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032597   | 0.032597   | 0.032597   |   0.0 |  0.57
Output  | 6.6916e-05 | 6.6916e-05 | 6.6916e-05 |   0.0 |  0.00
Modify  | 0.13699    | 0.13699    | 0.13699    |   0.0 |  2.40
Other   |            | 0.01853    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132392.0 ave      132392 max      132392 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132392
Ave neighs/atom = 66.196000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 250.520637836106, Press = 702.927018451421
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -8429.5081   -8429.5081   -8493.3577   -8493.3577    247.10456    247.10456    23901.296    23901.296   -1934.8477   -1934.8477 
    6000     -8427.03     -8427.03   -8493.0429   -8493.0429    255.47658    255.47658    23838.535    23838.535    2479.7833    2479.7833 
Loop time of 5.55074 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.565 ns/day, 1.542 hours/ns, 180.156 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3604     | 5.3604     | 5.3604     |   0.0 | 96.57
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031973   | 0.031973   | 0.031973   |   0.0 |  0.58
Output  | 6.6879e-05 | 6.6879e-05 | 6.6879e-05 |   0.0 |  0.00
Modify  | 0.13993    | 0.13993    | 0.13993    |   0.0 |  2.52
Other   |            | 0.01838    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131562.0 ave      131562 max      131562 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131562
Ave neighs/atom = 65.781000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.103185450583, Press = 24.3866329740357
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000     -8427.03     -8427.03   -8493.0429   -8493.0429    255.47658    255.47658    23838.535    23838.535    2479.7833    2479.7833 
    7000   -8430.2131   -8430.2131   -8495.3974   -8495.3974    252.26995    252.26995    23874.072    23874.072   -438.27847   -438.27847 
Loop time of 5.55868 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.543 ns/day, 1.544 hours/ns, 179.899 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3686     | 5.3686     | 5.3686     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03206    | 0.03206    | 0.03206    |   0.0 |  0.58
Output  | 6.9275e-05 | 6.9275e-05 | 6.9275e-05 |   0.0 |  0.00
Modify  | 0.13971    | 0.13971    | 0.13971    |   0.0 |  2.51
Other   |            | 0.01824    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132092.0 ave      132092 max      132092 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132092
Ave neighs/atom = 66.046000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 251.543440735812, Press = 38.814117623735
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -8430.2131   -8430.2131   -8495.3974   -8495.3974    252.26995    252.26995    23874.072    23874.072   -438.27847   -438.27847 
    8000   -8427.9193   -8427.9193   -8493.1668   -8493.1668    252.51475    252.51475     23870.38     23870.38    224.23745    224.23745 
Loop time of 5.53719 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.604 ns/day, 1.538 hours/ns, 180.597 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3471     | 5.3471     | 5.3471     |   0.0 | 96.57
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03219    | 0.03219    | 0.03219    |   0.0 |  0.58
Output  | 6.324e-05  | 6.324e-05  | 6.324e-05  |   0.0 |  0.00
Modify  | 0.13963    | 0.13963    | 0.13963    |   0.0 |  2.52
Other   |            | 0.01818    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131610.0 ave      131610 max      131610 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131610
Ave neighs/atom = 65.805000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 251.870331223081, Press = 15.8839971995167
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -8427.9193   -8427.9193   -8493.1668   -8493.1668    252.51475    252.51475     23870.38     23870.38    224.23745    224.23745 
    9000    -8427.647    -8427.647   -8491.3472   -8491.3472    246.52638    246.52638    23878.448    23878.448    19.520794    19.520794 
Loop time of 5.62901 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.349 ns/day, 1.564 hours/ns, 177.651 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    | 5.4383     | 5.4383     | 5.4383     |   0.0 | 96.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032177   | 0.032177   | 0.032177   |   0.0 |  0.57
Output  | 6.7548e-05 | 6.7548e-05 | 6.7548e-05 |   0.0 |  0.00
Modify  | 0.14012    | 0.14012    | 0.14012    |   0.0 |  2.49
Other   |            | 0.01833    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131848.0 ave      131848 max      131848 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131848
Ave neighs/atom = 65.924000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 251.689393255753, Press = 19.8438127698426
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000    -8427.647    -8427.647   -8491.3472   -8491.3472    246.52638    246.52638    23878.448    23878.448    19.520794    19.520794 
   10000    -8429.403    -8429.403   -8493.1349   -8493.1349     246.6493     246.6493    23834.924    23834.924    2458.3408    2458.3408 
Loop time of 5.53817 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.601 ns/day, 1.538 hours/ns, 180.565 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3492     | 5.3492     | 5.3492     |   0.0 | 96.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031888   | 0.031888   | 0.031888   |   0.0 |  0.58
Output  | 4.5476e-05 | 4.5476e-05 | 4.5476e-05 |   0.0 |  0.00
Modify  | 0.1389     | 0.1389     | 0.1389     |   0.0 |  2.51
Other   |            | 0.01814    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132020.0 ave      132020 max      132020 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132020
Ave neighs/atom = 66.010000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.003436831817, Press = -4.83770157846392
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000    -8429.403    -8429.403   -8493.1349   -8493.1349     246.6493     246.6493    23834.924    23834.924    2458.3408    2458.3408 
   11000   -8423.0183   -8423.0183    -8490.155    -8490.155    259.82598    259.82598    23894.875    23894.875   -819.36716   -819.36716 
Loop time of 5.58698 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.465 ns/day, 1.552 hours/ns, 178.988 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    | 5.3964     | 5.3964     | 5.3964     |   0.0 | 96.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032142   | 0.032142   | 0.032142   |   0.0 |  0.58
Output  | 8.5225e-05 | 8.5225e-05 | 8.5225e-05 |   0.0 |  0.00
Modify  | 0.14003    | 0.14003    | 0.14003    |   0.0 |  2.51
Other   |            | 0.01829    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132152.0 ave      132152 max      132152 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132152
Ave neighs/atom = 66.076000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.529244941127, Press = 19.7674806720334
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -8423.0183   -8423.0183    -8490.155    -8490.155    259.82598    259.82598    23894.875    23894.875   -819.36716   -819.36716 
   12000   -8427.9394   -8427.9394   -8494.0129   -8494.0129    255.71153    255.71153    23869.734    23869.734    233.11727    233.11727 
Loop time of 5.56331 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.530 ns/day, 1.545 hours/ns, 179.749 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3719     | 5.3719     | 5.3719     |   0.0 | 96.56
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032251   | 0.032251   | 0.032251   |   0.0 |  0.58
Output  | 7.4278e-05 | 7.4278e-05 | 7.4278e-05 |   0.0 |  0.00
Modify  | 0.14044    | 0.14044    | 0.14044    |   0.0 |  2.52
Other   |            | 0.01866    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131786.0 ave      131786 max      131786 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131786
Ave neighs/atom = 65.893000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.781982982004, Press = 5.12799297722075
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -8427.9394   -8427.9394   -8494.0129   -8494.0129    255.71153    255.71153    23869.734    23869.734    233.11727    233.11727 
   13000   -8425.9734   -8425.9734   -8492.8446   -8492.8446    258.79855    258.79855     23875.81     23875.81    18.058125    18.058125 
Loop time of 5.54448 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.583 ns/day, 1.540 hours/ns, 180.360 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3543     | 5.3543     | 5.3543     |   0.0 | 96.57
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032082   | 0.032082   | 0.032082   |   0.0 |  0.58
Output  | 0.00016062 | 0.00016062 | 0.00016062 |   0.0 |  0.00
Modify  | 0.13952    | 0.13952    | 0.13952    |   0.0 |  2.52
Other   |            | 0.01845    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131692.0 ave      131692 max      131692 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131692
Ave neighs/atom = 65.846000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.092736567114, Press = 11.6950962653569
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -8425.9734   -8425.9734   -8492.8446   -8492.8446    258.79855    258.79855     23875.81     23875.81    18.058125    18.058125 
   14000   -8425.3744   -8425.3744   -8491.9492   -8491.9492    257.65147    257.65147    23886.728    23886.728   -642.24998   -642.24998 
Loop time of 5.55537 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.553 ns/day, 1.543 hours/ns, 180.006 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3652     | 5.3652     | 5.3652     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032216   | 0.032216   | 0.032216   |   0.0 |  0.58
Output  | 7.7395e-05 | 7.7395e-05 | 7.7395e-05 |   0.0 |  0.00
Modify  | 0.13952    | 0.13952    | 0.13952    |   0.0 |  2.51
Other   |            | 0.01833    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131640.0 ave      131640 max      131640 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131640
Ave neighs/atom = 65.820000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.106125701599, Press = -0.935063006686594
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -8425.3744   -8425.3744   -8491.9492   -8491.9492    257.65147    257.65147    23886.728    23886.728   -642.24998   -642.24998 
   15000   -8429.6631   -8429.6631   -8495.0427   -8495.0427     253.0256     253.0256    23860.977    23860.977    534.43561    534.43561 
Loop time of 5.54215 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.590 ns/day, 1.539 hours/ns, 180.435 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3522     | 5.3522     | 5.3522     |   0.0 | 96.57
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03209    | 0.03209    | 0.03209    |   0.0 |  0.58
Output  | 7.7703e-05 | 7.7703e-05 | 7.7703e-05 |   0.0 |  0.00
Modify  | 0.13939    | 0.13939    | 0.13939    |   0.0 |  2.52
Other   |            | 0.01834    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131676.0 ave      131676 max      131676 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131676
Ave neighs/atom = 65.838000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.184661945321, Press = 17.5007257854356
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -8429.6631   -8429.6631   -8495.0427   -8495.0427     253.0256     253.0256    23860.977    23860.977    534.43561    534.43561 
   16000   -8426.1789   -8426.1789    -8493.115    -8493.115    259.04967    259.04967    23894.164    23894.164   -1375.9888   -1375.9888 
Loop time of 5.5427 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.588 ns/day, 1.540 hours/ns, 180.418 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3527     | 5.3527     | 5.3527     |   0.0 | 96.57
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032033   | 0.032033   | 0.032033   |   0.0 |  0.58
Output  | 6.7721e-05 | 6.7721e-05 | 6.7721e-05 |   0.0 |  0.00
Modify  | 0.13953    | 0.13953    | 0.13953    |   0.0 |  2.52
Other   |            | 0.01835    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131540.0 ave      131540 max      131540 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131540
Ave neighs/atom = 65.770000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.069475660285, Press = 0.246647968059438
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -8426.1789   -8426.1789    -8493.115    -8493.115    259.04967    259.04967    23894.164    23894.164   -1375.9888   -1375.9888 
   17000   -8430.2314   -8430.2314   -8493.6281   -8493.6281    245.35183    245.35183    23857.034    23857.034    940.06087    940.06087 
Loop time of 5.5468 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.577 ns/day, 1.541 hours/ns, 180.284 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3572     | 5.3572     | 5.3572     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031897   | 0.031897   | 0.031897   |   0.0 |  0.58
Output  | 5.3481e-05 | 5.3481e-05 | 5.3481e-05 |   0.0 |  0.00
Modify  | 0.13926    | 0.13926    | 0.13926    |   0.0 |  2.51
Other   |            | 0.01835    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131598.0 ave      131598 max      131598 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131598
Ave neighs/atom = 65.799000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.050684847297, Press = 9.22347450204076
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -8430.2314   -8430.2314   -8493.6281   -8493.6281    245.35183    245.35183    23857.034    23857.034    940.06087    940.06087 
   18000   -8427.2949   -8427.2949   -8493.5378   -8493.5378    256.36698    256.36698    23896.874    23896.874   -1705.3575   -1705.3575 
Loop time of 5.57099 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.509 ns/day, 1.547 hours/ns, 179.501 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3799     | 5.3799     | 5.3799     |   0.0 | 96.57
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032137   | 0.032137   | 0.032137   |   0.0 |  0.58
Output  | 4.6036e-05 | 4.6036e-05 | 4.6036e-05 |   0.0 |  0.00
Modify  | 0.14024    | 0.14024    | 0.14024    |   0.0 |  2.52
Other   |            | 0.01864    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131940.0 ave      131940 max      131940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131940
Ave neighs/atom = 65.970000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.907310631649, Press = 1.19725020505716
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -8427.2949   -8427.2949   -8493.5378   -8493.5378    256.36698    256.36698    23896.874    23896.874   -1705.3575   -1705.3575 
   19000   -8430.3361   -8430.3361   -8492.4327   -8492.4327    240.32034    240.32034    23853.106    23853.106    1421.1424    1421.1424 
Loop time of 5.54191 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.590 ns/day, 1.539 hours/ns, 180.443 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3514     | 5.3514     | 5.3514     |   0.0 | 96.56
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03204    | 0.03204    | 0.03204    |   0.0 |  0.58
Output  | 7.3578e-05 | 7.3578e-05 | 7.3578e-05 |   0.0 |  0.00
Modify  | 0.13997    | 0.13997    | 0.13997    |   0.0 |  2.53
Other   |            | 0.01845    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131600.0 ave      131600 max      131600 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131600
Ave neighs/atom = 65.800000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.877383770137, Press = 7.31707594543171
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -8430.3361   -8430.3361   -8492.4327   -8492.4327    240.32034    240.32034    23853.106    23853.106    1421.1424    1421.1424 
   20000   -8425.9961   -8425.9961   -8491.5383   -8491.5383    253.65486    253.65486    23894.581    23894.581   -1116.0662   -1116.0662 
Loop time of 5.57081 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.509 ns/day, 1.547 hours/ns, 179.507 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3807     | 5.3807     | 5.3807     |   0.0 | 96.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032031   | 0.032031   | 0.032031   |   0.0 |  0.57
Output  | 5.2105e-05 | 5.2105e-05 | 5.2105e-05 |   0.0 |  0.00
Modify  | 0.13958    | 0.13958    | 0.13958    |   0.0 |  2.51
Other   |            | 0.01842    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132094.0 ave      132094 max      132094 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132094
Ave neighs/atom = 66.047000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.783225597308, Press = 3.6180517382103
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -8425.9961   -8425.9961   -8491.5383   -8491.5383    253.65486    253.65486    23894.581    23894.581   -1116.0662   -1116.0662 
   21000   -8427.9365   -8427.9365   -8492.2927   -8492.2927    249.06509    249.06509    23860.752    23860.752     985.8993     985.8993 
Loop time of 5.56557 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.524 ns/day, 1.546 hours/ns, 179.676 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3754     | 5.3754     | 5.3754     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032013   | 0.032013   | 0.032013   |   0.0 |  0.58
Output  | 5.1909e-05 | 5.1909e-05 | 5.1909e-05 |   0.0 |  0.00
Modify  | 0.13976    | 0.13976    | 0.13976    |   0.0 |  2.51
Other   |            | 0.01839    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131746.0 ave      131746 max      131746 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131746
Ave neighs/atom = 65.873000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.783491250255, Press = 3.35639892265779
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -8427.9365   -8427.9365   -8492.2927   -8492.2927    249.06509    249.06509    23860.752    23860.752     985.8993     985.8993 
   22000   -8425.2838   -8425.2838   -8492.3505   -8492.3505    259.55485    259.55485    23898.738    23898.738   -1492.2243   -1492.2243 
Loop time of 5.55286 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.560 ns/day, 1.542 hours/ns, 180.087 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3623     | 5.3623     | 5.3623     |   0.0 | 96.57
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032194   | 0.032194   | 0.032194   |   0.0 |  0.58
Output  | 5.2923e-05 | 5.2923e-05 | 5.2923e-05 |   0.0 |  0.00
Modify  | 0.13979    | 0.13979    | 0.13979    |   0.0 |  2.52
Other   |            | 0.0185     |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131886.0 ave      131886 max      131886 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131886
Ave neighs/atom = 65.943000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.813435679479, Press = 5.30159127937727
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -8425.2838   -8425.2838   -8492.3505   -8492.3505    259.55485    259.55485    23898.738    23898.738   -1492.2243   -1492.2243 
   23000   -8426.4362   -8426.4362   -8492.0082   -8492.0082    253.77034    253.77034    23850.221    23850.221    1798.1411    1798.1411 
Loop time of 5.54142 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.592 ns/day, 1.539 hours/ns, 180.459 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3515     | 5.3515     | 5.3515     |   0.0 | 96.57
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031947   | 0.031947   | 0.031947   |   0.0 |  0.58
Output  | 7.0662e-05 | 7.0662e-05 | 7.0662e-05 |   0.0 |  0.00
Modify  | 0.13949    | 0.13949    | 0.13949    |   0.0 |  2.52
Other   |            | 0.01839    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131554.0 ave      131554 max      131554 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131554
Ave neighs/atom = 65.777000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.885337413881, Press = 1.28193835014876
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -8426.4362   -8426.4362   -8492.0082   -8492.0082    253.77034    253.77034    23850.221    23850.221    1798.1411    1798.1411 
   24000    -8428.705    -8428.705   -8494.2481   -8494.2481    253.65878    253.65878    23899.898    23899.898   -2023.6945   -2023.6945 
Loop time of 5.55476 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.554 ns/day, 1.543 hours/ns, 180.026 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.365      | 5.365      | 5.365      |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031936   | 0.031936   | 0.031936   |   0.0 |  0.57
Output  | 5.2366e-05 | 5.2366e-05 | 5.2366e-05 |   0.0 |  0.00
Modify  | 0.13944    | 0.13944    | 0.13944    |   0.0 |  2.51
Other   |            | 0.01832    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132108.0 ave      132108 max      132108 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132108
Ave neighs/atom = 66.054000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.942988672926, Press = 5.89842302029184
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000    -8428.705    -8428.705   -8494.2481   -8494.2481    253.65878    253.65878    23899.898    23899.898   -2023.6945   -2023.6945 
   25000   -8425.5552   -8425.5552   -8493.1303   -8493.1303    261.52285    261.52285    23863.145    23863.145    760.23253    760.23253 
Loop time of 5.55058 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.566 ns/day, 1.542 hours/ns, 180.161 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3607     | 5.3607     | 5.3607     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032061   | 0.032061   | 0.032061   |   0.0 |  0.58
Output  | 5.124e-05  | 5.124e-05  | 5.124e-05  |   0.0 |  0.00
Modify  | 0.13942    | 0.13942    | 0.13942    |   0.0 |  2.51
Other   |            | 0.01837    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131452.0 ave      131452 max      131452 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131452
Ave neighs/atom = 65.726000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.066435738017, Press = 0.708693252983469
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -8425.5552   -8425.5552   -8493.1303   -8493.1303    261.52285    261.52285    23863.145    23863.145    760.23253    760.23253 
   26000   -8426.4792   -8426.4792   -8491.8986   -8491.8986     253.1799     253.1799    23878.001    23878.001    -120.2855    -120.2855 
Loop time of 5.55591 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.551 ns/day, 1.543 hours/ns, 179.989 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3659     | 5.3659     | 5.3659     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032028   | 0.032028   | 0.032028   |   0.0 |  0.58
Output  | 6.5691e-05 | 6.5691e-05 | 6.5691e-05 |   0.0 |  0.00
Modify  | 0.13954    | 0.13954    | 0.13954    |   0.0 |  2.51
Other   |            | 0.0184     |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131754.0 ave      131754 max      131754 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131754
Ave neighs/atom = 65.877000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.092100262645, Press = 4.18591946861267
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -8426.4792   -8426.4792   -8491.8986   -8491.8986     253.1799     253.1799    23878.001    23878.001    -120.2855    -120.2855 
   27000   -8432.6398   -8432.6398   -8495.7584   -8495.7584    244.27566    244.27566    23870.974    23870.974   -563.34045   -563.34045 
Loop time of 5.56343 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.530 ns/day, 1.545 hours/ns, 179.745 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3734     | 5.3734     | 5.3734     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032008   | 0.032008   | 0.032008   |   0.0 |  0.58
Output  | 5.1244e-05 | 5.1244e-05 | 5.1244e-05 |   0.0 |  0.00
Modify  | 0.13961    | 0.13961    | 0.13961    |   0.0 |  2.51
Other   |            | 0.0184     |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131798.0 ave      131798 max      131798 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131798
Ave neighs/atom = 65.899000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.069936235885, Press = 2.39361772527351
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -8432.6398   -8432.6398   -8495.7584   -8495.7584    244.27566    244.27566    23870.974    23870.974   -563.34045   -563.34045 
   28000   -8427.4982   -8427.4982   -8491.9097   -8491.9097    249.27908    249.27908    23856.927    23856.927    1208.1513    1208.1513 
Loop time of 5.55389 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.557 ns/day, 1.543 hours/ns, 180.054 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3637     | 5.3637     | 5.3637     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032211   | 0.032211   | 0.032211   |   0.0 |  0.58
Output  | 5.0526e-05 | 5.0526e-05 | 5.0526e-05 |   0.0 |  0.00
Modify  | 0.13951    | 0.13951    | 0.13951    |   0.0 |  2.51
Other   |            | 0.01838    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131632.0 ave      131632 max      131632 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131632
Ave neighs/atom = 65.816000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.988806331362, Press = 3.56374138851811
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -8427.4982   -8427.4982   -8491.9097   -8491.9097    249.27908    249.27908    23856.927    23856.927    1208.1513    1208.1513 
   29000   -8426.3794   -8426.3794   -8490.7533   -8490.7533    249.13359    249.13359    23903.415    23903.415   -1655.5867   -1655.5867 
Loop time of 5.54928 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.570 ns/day, 1.541 hours/ns, 180.203 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3593     | 5.3593     | 5.3593     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032008   | 0.032008   | 0.032008   |   0.0 |  0.58
Output  | 5.0529e-05 | 5.0529e-05 | 5.0529e-05 |   0.0 |  0.00
Modify  | 0.13955    | 0.13955    | 0.13955    |   0.0 |  2.51
Other   |            | 0.01841    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132048.0 ave      132048 max      132048 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132048
Ave neighs/atom = 66.024000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.015741311405, Press = 0.774439402962801
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -8426.3794   -8426.3794   -8490.7533   -8490.7533    249.13359    249.13359    23903.415    23903.415   -1655.5867   -1655.5867 
   30000    -8427.926    -8427.926   -8492.6233   -8492.6233    250.38521    250.38521    23826.842    23826.842    3252.1017    3252.1017 
Loop time of 5.56208 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.534 ns/day, 1.545 hours/ns, 179.789 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3718     | 5.3718     | 5.3718     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032027   | 0.032027   | 0.032027   |   0.0 |  0.58
Output  | 6.8838e-05 | 6.8838e-05 | 6.8838e-05 |   0.0 |  0.00
Modify  | 0.13966    | 0.13966    | 0.13966    |   0.0 |  2.51
Other   |            | 0.01848    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131830.0 ave      131830 max      131830 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131830
Ave neighs/atom = 65.915000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.022525850662, Press = 4.17892159083886
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000    -8427.926    -8427.926   -8492.6233   -8492.6233    250.38521    250.38521    23826.842    23826.842    3252.1017    3252.1017 
   31000   -8428.2872   -8428.2872   -8492.7683   -8492.7683     249.5482     249.5482    23904.697    23904.697   -2100.6668   -2100.6668 
Loop time of 5.56929 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.514 ns/day, 1.547 hours/ns, 179.556 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3788     | 5.3788     | 5.3788     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032185   | 0.032185   | 0.032185   |   0.0 |  0.58
Output  | 5.063e-05  | 5.063e-05  | 5.063e-05  |   0.0 |  0.00
Modify  | 0.13975    | 0.13975    | 0.13975    |   0.0 |  2.51
Other   |            | 0.01847    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132240.0 ave      132240 max      132240 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132240
Ave neighs/atom = 66.120000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.070589530829, Press = 1.90215341458019
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -8428.2872   -8428.2872   -8492.7683   -8492.7683     249.5482     249.5482    23904.697    23904.697   -2100.6668   -2100.6668 
   32000   -8426.1201   -8426.1201   -8491.0875   -8491.0875    251.43022    251.43022    23842.869    23842.869    2372.7469    2372.7469 
Loop time of 5.55159 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.563 ns/day, 1.542 hours/ns, 180.129 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3615     | 5.3615     | 5.3615     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032255   | 0.032255   | 0.032255   |   0.0 |  0.58
Output  | 5.1235e-05 | 5.1235e-05 | 5.1235e-05 |   0.0 |  0.00
Modify  | 0.1395     | 0.1395     | 0.1395     |   0.0 |  2.51
Other   |            | 0.01832    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131728.0 ave      131728 max      131728 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131728
Ave neighs/atom = 65.864000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.138559138009, Press = 2.51745513398773
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -8426.1201   -8426.1201   -8491.0875   -8491.0875    251.43022    251.43022    23842.869    23842.869    2372.7469    2372.7469 
   33000   -8428.2675   -8428.2675   -8493.9364   -8493.9364    254.14557    254.14557    23897.131    23897.131   -1821.6416   -1821.6416 
Loop time of 5.56795 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.517 ns/day, 1.547 hours/ns, 179.599 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3778     | 5.3778     | 5.3778     |   0.0 | 96.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032152   | 0.032152   | 0.032152   |   0.0 |  0.58
Output  | 5.1238e-05 | 5.1238e-05 | 5.1238e-05 |   0.0 |  0.00
Modify  | 0.13946    | 0.13946    | 0.13946    |   0.0 |  2.50
Other   |            | 0.01845    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132372.0 ave      132372 max      132372 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132372
Ave neighs/atom = 66.186000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.215537422514, Press = 2.66074192688648
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -8428.2675   -8428.2675   -8493.9364   -8493.9364    254.14557    254.14557    23897.131    23897.131   -1821.6416   -1821.6416 
   34000   -8425.1824   -8425.1824   -8491.7226   -8491.7226    257.51739    257.51739    23854.842    23854.842      1613.23      1613.23 
Loop time of 5.55803 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.545 ns/day, 1.544 hours/ns, 179.920 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3678     | 5.3678     | 5.3678     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032117   | 0.032117   | 0.032117   |   0.0 |  0.58
Output  | 5.6991e-05 | 5.6991e-05 | 5.6991e-05 |   0.0 |  0.00
Modify  | 0.13967    | 0.13967    | 0.13967    |   0.0 |  2.51
Other   |            | 0.01837    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131722.0 ave      131722 max      131722 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131722
Ave neighs/atom = 65.861000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.261260818341, Press = 1.74181648451236
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -8425.1824   -8425.1824   -8491.7226   -8491.7226    257.51739    257.51739    23854.842    23854.842      1613.23      1613.23 
   35000   -8427.9686   -8427.9686   -8492.6366   -8492.6366    250.27183    250.27183    23904.226    23904.226   -2090.1505   -2090.1505 
Loop time of 5.54692 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.576 ns/day, 1.541 hours/ns, 180.280 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.357      | 5.357      | 5.357      |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032051   | 0.032051   | 0.032051   |   0.0 |  0.58
Output  | 5.1028e-05 | 5.1028e-05 | 5.1028e-05 |   0.0 |  0.00
Modify  | 0.13947    | 0.13947    | 0.13947    |   0.0 |  2.51
Other   |            | 0.01839    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132014.0 ave      132014 max      132014 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132014
Ave neighs/atom = 66.007000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.262950648022, Press = 3.54436220319678
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -8427.9686   -8427.9686   -8492.6366   -8492.6366    250.27183    250.27183    23904.226    23904.226   -2090.1505   -2090.1505 
   36000   -8426.4406   -8426.4406   -8492.2712   -8492.2712    254.77144    254.77144    23835.937    23835.937    2737.1737    2737.1737 
Loop time of 5.54689 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.576 ns/day, 1.541 hours/ns, 180.281 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3573     | 5.3573     | 5.3573     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031937   | 0.031937   | 0.031937   |   0.0 |  0.58
Output  | 5.0567e-05 | 5.0567e-05 | 5.0567e-05 |   0.0 |  0.00
Modify  | 0.13931    | 0.13931    | 0.13931    |   0.0 |  2.51
Other   |            | 0.01833    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131652.0 ave      131652 max      131652 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131652
Ave neighs/atom = 65.826000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.251798237807, Press = -0.343521595818175
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -8426.4406   -8426.4406   -8492.2712   -8492.2712    254.77144    254.77144    23835.937    23835.937    2737.1737    2737.1737 
   37000   -8428.5615   -8428.5615   -8493.4522   -8493.4522    251.13373    251.13373    23895.893    23895.893   -1653.5184   -1653.5184 
Loop time of 5.55391 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.557 ns/day, 1.543 hours/ns, 180.053 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.364      | 5.364      | 5.364      |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03213    | 0.03213    | 0.03213    |   0.0 |  0.58
Output  | 5.0482e-05 | 5.0482e-05 | 5.0482e-05 |   0.0 |  0.00
Modify  | 0.13939    | 0.13939    | 0.13939    |   0.0 |  2.51
Other   |            | 0.01833    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132160.0 ave      132160 max      132160 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132160
Ave neighs/atom = 66.080000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.283541236159, Press = 2.86056030779661
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -8428.5615   -8428.5615   -8493.4522   -8493.4522    251.13373    251.13373    23895.893    23895.893   -1653.5184   -1653.5184 
   38000   -8425.6983   -8425.6983   -8492.2515   -8492.2515    257.56778    257.56778    23860.123    23860.123    1143.7113    1143.7113 
Loop time of 5.56019 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.539 ns/day, 1.544 hours/ns, 179.850 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3702     | 5.3702     | 5.3702     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032218   | 0.032218   | 0.032218   |   0.0 |  0.58
Output  | 5.0926e-05 | 5.0926e-05 | 5.0926e-05 |   0.0 |  0.00
Modify  | 0.13937    | 0.13937    | 0.13937    |   0.0 |  2.51
Other   |            | 0.01833    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131614.0 ave      131614 max      131614 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131614
Ave neighs/atom = 65.807000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.32726192227, Press = 1.41189888565562
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -8425.6983   -8425.6983   -8492.2515   -8492.2515    257.56778    257.56778    23860.123    23860.123    1143.7113    1143.7113 
   39000   -8429.1671   -8429.1671   -8494.2592   -8494.2592    251.91301    251.91301    23888.746    23888.746   -1219.3633   -1219.3633 
Loop time of 5.55319 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.559 ns/day, 1.543 hours/ns, 180.077 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3633     | 5.3633     | 5.3633     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032134   | 0.032134   | 0.032134   |   0.0 |  0.58
Output  | 4.8026e-05 | 4.8026e-05 | 4.8026e-05 |   0.0 |  0.00
Modify  | 0.13939    | 0.13939    | 0.13939    |   0.0 |  2.51
Other   |            | 0.01832    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131908.0 ave      131908 max      131908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131908
Ave neighs/atom = 65.954000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.381499120399, Press = 3.35569163420532
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -8429.1671   -8429.1671   -8494.2592   -8494.2592    251.91301    251.91301    23888.746    23888.746   -1219.3633   -1219.3633 
   40000   -8426.1198   -8426.1198    -8491.129    -8491.129    251.59211    251.59211    23872.344    23872.344    460.03164    460.03164 
Loop time of 5.53438 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.611 ns/day, 1.537 hours/ns, 180.689 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3446     | 5.3446     | 5.3446     |   0.0 | 96.57
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032      | 0.032      | 0.032      |   0.0 |  0.58
Output  | 5.1504e-05 | 5.1504e-05 | 5.1504e-05 |   0.0 |  0.00
Modify  | 0.13937    | 0.13937    | 0.13937    |   0.0 |  2.52
Other   |            | 0.01833    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131552.0 ave      131552 max      131552 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131552
Ave neighs/atom = 65.776000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.358101023312, Press = 0.552894673042272
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -8426.1198   -8426.1198    -8491.129    -8491.129    251.59211    251.59211    23872.344    23872.344    460.03164    460.03164 
   41000   -8429.5953   -8429.5953   -8494.4422   -8494.4422    250.96428    250.96428    23861.871    23861.871    464.11518    464.11518 
Loop time of 5.56379 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.529 ns/day, 1.545 hours/ns, 179.733 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3726     | 5.3726     | 5.3726     |   0.0 | 96.56
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032304   | 0.032304   | 0.032304   |   0.0 |  0.58
Output  | 7.7907e-05 | 7.7907e-05 | 7.7907e-05 |   0.0 |  0.00
Modify  | 0.14036    | 0.14036    | 0.14036    |   0.0 |  2.52
Other   |            | 0.01848    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131868.0 ave      131868 max      131868 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131868
Ave neighs/atom = 65.934000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.317005770775, Press = 4.13371530756647
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -8429.5953   -8429.5953   -8494.4422   -8494.4422    250.96428    250.96428    23861.871    23861.871    464.11518    464.11518 
   42000   -8426.4433   -8426.4433   -8491.9206   -8491.9206    253.40388    253.40388    23901.293    23901.293   -1701.7467   -1701.7467 
Loop time of 5.54669 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.577 ns/day, 1.541 hours/ns, 180.288 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3569     | 5.3569     | 5.3569     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031962   | 0.031962   | 0.031962   |   0.0 |  0.58
Output  | 5.1584e-05 | 5.1584e-05 | 5.1584e-05 |   0.0 |  0.00
Modify  | 0.13939    | 0.13939    | 0.13939    |   0.0 |  2.51
Other   |            | 0.01835    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131664.0 ave      131664 max      131664 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131664
Ave neighs/atom = 65.832000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.327322892679, Press = -0.383420353995843
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -8426.4433   -8426.4433   -8491.9206   -8491.9206    253.40388    253.40388    23901.293    23901.293   -1701.7467   -1701.7467 
   43000   -8428.0653   -8428.0653   -8492.7039   -8492.7039    250.15806    250.15806    23864.329    23864.329    629.31464    629.31464 
Loop time of 5.54547 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.580 ns/day, 1.540 hours/ns, 180.327 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3558     | 5.3558     | 5.3558     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032015   | 0.032015   | 0.032015   |   0.0 |  0.58
Output  | 5.0555e-05 | 5.0555e-05 | 5.0555e-05 |   0.0 |  0.00
Modify  | 0.13926    | 0.13926    | 0.13926    |   0.0 |  2.51
Other   |            | 0.01831    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131646.0 ave      131646 max      131646 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131646
Ave neighs/atom = 65.823000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.318829688282, Press = 3.08022152821652
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -8428.0653   -8428.0653   -8492.7039   -8492.7039    250.15806    250.15806    23864.329    23864.329    629.31464    629.31464 
   44000   -8426.0828   -8426.0828   -8491.9588   -8491.9588     254.9468     254.9468    23883.617    23883.617    -611.8734    -611.8734 
Loop time of 5.54363 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.585 ns/day, 1.540 hours/ns, 180.387 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3539     | 5.3539     | 5.3539     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032072   | 0.032072   | 0.032072   |   0.0 |  0.58
Output  | 5.0791e-05 | 5.0791e-05 | 5.0791e-05 |   0.0 |  0.00
Modify  | 0.13927    | 0.13927    | 0.13927    |   0.0 |  2.51
Other   |            | 0.01829    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131908.0 ave      131908 max      131908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131908
Ave neighs/atom = 65.954000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.320477253818, Press = 1.20188065507516
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -8426.0828   -8426.0828   -8491.9588   -8491.9588     254.9468     254.9468    23883.617    23883.617    -611.8734    -611.8734 
   45000   -8428.1551   -8428.1551   -8491.4923   -8491.4923    245.12146    245.12146    23858.478    23858.478    1156.3754    1156.3754 
Loop time of 5.59281 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.448 ns/day, 1.554 hours/ns, 178.801 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.4003     | 5.4003     | 5.4003     |   0.0 | 96.56
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032343   | 0.032343   | 0.032343   |   0.0 |  0.58
Output  | 5.3364e-05 | 5.3364e-05 | 5.3364e-05 |   0.0 |  0.00
Modify  | 0.1413     | 0.1413     | 0.1413     |   0.0 |  2.53
Other   |            | 0.01877    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131734.0 ave      131734 max      131734 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131734
Ave neighs/atom = 65.867000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.316489593729, Press = 3.25033959636814
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -8428.1551   -8428.1551   -8491.4923   -8491.4923    245.12146    245.12146    23858.478    23858.478    1156.3754    1156.3754 
   46000   -8425.0945   -8425.0945   -8491.3458   -8491.3458    256.39925    256.39925    23904.544    23904.544   -1738.9546   -1738.9546 
Loop time of 5.55463 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.555 ns/day, 1.543 hours/ns, 180.030 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3649     | 5.3649     | 5.3649     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032016   | 0.032016   | 0.032016   |   0.0 |  0.58
Output  | 5.0821e-05 | 5.0821e-05 | 5.0821e-05 |   0.0 |  0.00
Modify  | 0.13938    | 0.13938    | 0.13938    |   0.0 |  2.51
Other   |            | 0.0183     |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132052.0 ave      132052 max      132052 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132052
Ave neighs/atom = 66.026000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.380211866452, Press = 0.723886527198722
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -8425.0945   -8425.0945   -8491.3458   -8491.3458    256.39925    256.39925    23904.544    23904.544   -1738.9546   -1738.9546 
   47000   -8429.2479   -8429.2479     -8494.66     -8494.66    253.15149    253.15149      23841.4      23841.4    1892.9816    1892.9816 
Loop time of 5.54512 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.581 ns/day, 1.540 hours/ns, 180.339 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3553     | 5.3553     | 5.3553     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03208    | 0.03208    | 0.03208    |   0.0 |  0.58
Output  | 5.1695e-05 | 5.1695e-05 | 5.1695e-05 |   0.0 |  0.00
Modify  | 0.13929    | 0.13929    | 0.13929    |   0.0 |  2.51
Other   |            | 0.01838    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131526.0 ave      131526 max      131526 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131526
Ave neighs/atom = 65.763000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.392253511209, Press = 2.47500792114115
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -8429.2479   -8429.2479     -8494.66     -8494.66    253.15149    253.15149      23841.4      23841.4    1892.9816    1892.9816 
   48000   -8425.7146   -8425.7146   -8491.4531   -8491.4531    254.41461    254.41461    23903.803    23903.803   -1731.2454   -1731.2454 
Loop time of 5.54037 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.595 ns/day, 1.539 hours/ns, 180.493 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3508     | 5.3508     | 5.3508     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031927   | 0.031927   | 0.031927   |   0.0 |  0.58
Output  | 5.0446e-05 | 5.0446e-05 | 5.0446e-05 |   0.0 |  0.00
Modify  | 0.13926    | 0.13926    | 0.13926    |   0.0 |  2.51
Other   |            | 0.01834    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131708.0 ave      131708 max      131708 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131708
Ave neighs/atom = 65.854000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.397958552151, Press = 1.42019172176711
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -8425.7146   -8425.7146   -8491.4531   -8491.4531    254.41461    254.41461    23903.803    23903.803   -1731.2454   -1731.2454 
   49000   -8430.0549   -8430.0549   -8494.1273   -8494.1273    247.96681    247.96681    23845.278    23845.278    1696.9298    1696.9298 
Loop time of 5.54957 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.569 ns/day, 1.542 hours/ns, 180.194 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3593     | 5.3593     | 5.3593     |   0.0 | 96.57
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032145   | 0.032145   | 0.032145   |   0.0 |  0.58
Output  | 5.4369e-05 | 5.4369e-05 | 5.4369e-05 |   0.0 |  0.00
Modify  | 0.13969    | 0.13969    | 0.13969    |   0.0 |  2.52
Other   |            | 0.01838    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131602.0 ave      131602 max      131602 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131602
Ave neighs/atom = 65.801000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.394903308508, Press = 1.75150365486271
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -8430.0549   -8430.0549   -8494.1273   -8494.1273    247.96681    247.96681    23845.278    23845.278    1696.9298    1696.9298 
   50000   -8426.9658   -8426.9658   -8491.4163   -8491.4163       249.43       249.43    23900.888    23900.888   -1630.4961   -1630.4961 
Loop time of 5.55326 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.558 ns/day, 1.543 hours/ns, 180.074 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3636     | 5.3636     | 5.3636     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032043   | 0.032043   | 0.032043   |   0.0 |  0.58
Output  | 4.8122e-05 | 4.8122e-05 | 4.8122e-05 |   0.0 |  0.00
Modify  | 0.1393     | 0.1393     | 0.1393     |   0.0 |  2.51
Other   |            | 0.0183     |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131954.0 ave      131954 max      131954 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131954
Ave neighs/atom = 65.977000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.376459896053, Press = 1.48793938777851
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -8426.9658   -8426.9658   -8491.4163   -8491.4163       249.43       249.43    23900.888    23900.888   -1630.4961   -1630.4961 
   51000   -8430.4201   -8430.4201   -8496.5093   -8496.5093    255.77171    255.77171    23829.003    23829.003    2400.3129    2400.3129 
Loop time of 5.54581 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.579 ns/day, 1.541 hours/ns, 180.316 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.356      | 5.356      | 5.356      |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032057   | 0.032057   | 0.032057   |   0.0 |  0.58
Output  | 4.9802e-05 | 4.9802e-05 | 4.9802e-05 |   0.0 |  0.00
Modify  | 0.13931    | 0.13931    | 0.13931    |   0.0 |  2.51
Other   |            | 0.01836    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131784.0 ave      131784 max      131784 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131784
Ave neighs/atom = 65.892000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.313697844239, Press = 1.99695784721156
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -8430.4201   -8430.4201   -8496.5093   -8496.5093    255.77171    255.77171    23829.003    23829.003    2400.3129    2400.3129 
   52000   -8427.0562   -8427.0562   -8492.3465   -8492.3465    252.68019    252.68019    23934.617    23934.617    -4004.208    -4004.208 
Loop time of 5.54952 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.569 ns/day, 1.542 hours/ns, 180.196 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3598     | 5.3598     | 5.3598     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031963   | 0.031963   | 0.031963   |   0.0 |  0.58
Output  | 5.0774e-05 | 5.0774e-05 | 5.0774e-05 |   0.0 |  0.00
Modify  | 0.13931    | 0.13931    | 0.13931    |   0.0 |  2.51
Other   |            | 0.01839    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131756.0 ave      131756 max      131756 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131756
Ave neighs/atom = 65.878000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.300662167539, Press = 1.72618643509605
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -8427.0562   -8427.0562   -8492.3465   -8492.3465    252.68019    252.68019    23934.617    23934.617    -4004.208    -4004.208 
   53000   -8429.5766   -8429.5766   -8494.9462   -8494.9462    252.98742    252.98742    23844.835    23844.835     1681.524     1681.524 
Loop time of 5.5613 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.536 ns/day, 1.545 hours/ns, 179.814 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3716     | 5.3716     | 5.3716     |   0.0 | 96.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031967   | 0.031967   | 0.031967   |   0.0 |  0.57
Output  | 5.0685e-05 | 5.0685e-05 | 5.0685e-05 |   0.0 |  0.00
Modify  | 0.13934    | 0.13934    | 0.13934    |   0.0 |  2.51
Other   |            | 0.0183     |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131458.0 ave      131458 max      131458 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131458
Ave neighs/atom = 65.729000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.26233751602, Press = 1.3653744171423
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -8429.5766   -8429.5766   -8494.9462   -8494.9462    252.98742    252.98742    23844.835    23844.835     1681.524     1681.524 
   54000   -8426.7388   -8426.7388   -8491.7358   -8491.7358    251.54496    251.54496    23896.194    23896.194   -1370.8911   -1370.8911 
Loop time of 5.54211 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.590 ns/day, 1.539 hours/ns, 180.437 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3526     | 5.3526     | 5.3526     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031963   | 0.031963   | 0.031963   |   0.0 |  0.58
Output  | 5.0353e-05 | 5.0353e-05 | 5.0353e-05 |   0.0 |  0.00
Modify  | 0.13919    | 0.13919    | 0.13919    |   0.0 |  2.51
Other   |            | 0.01832    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131716.0 ave      131716 max      131716 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131716
Ave neighs/atom = 65.858000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.233781935267, Press = 1.88121188790538
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -8426.7388   -8426.7388   -8491.7358   -8491.7358    251.54496    251.54496    23896.194    23896.194   -1370.8911   -1370.8911 
   55000   -8432.1215   -8432.1215   -8494.6554   -8494.6554    242.01263    242.01263    23851.103    23851.103    1103.9104    1103.9104 
Loop time of 5.55564 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.552 ns/day, 1.543 hours/ns, 179.997 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.366      | 5.366      | 5.366      |   0.0 | 96.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032069   | 0.032069   | 0.032069   |   0.0 |  0.58
Output  | 5.031e-05  | 5.031e-05  | 5.031e-05  |   0.0 |  0.00
Modify  | 0.13922    | 0.13922    | 0.13922    |   0.0 |  2.51
Other   |            | 0.01832    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131606.0 ave      131606 max      131606 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131606
Ave neighs/atom = 65.803000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.212837926712, Press = 1.45366958522814
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -8432.1215   -8432.1215   -8494.6554   -8494.6554    242.01263    242.01263    23851.103    23851.103    1103.9104    1103.9104 
   56000   -8426.3052   -8426.3052   -8491.0666   -8491.0666    250.63325    250.63325     23894.19     23894.19   -1114.4031   -1114.4031 
Loop time of 5.55608 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.551 ns/day, 1.543 hours/ns, 179.983 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3663     | 5.3663     | 5.3663     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032028   | 0.032028   | 0.032028   |   0.0 |  0.58
Output  | 5.0631e-05 | 5.0631e-05 | 5.0631e-05 |   0.0 |  0.00
Modify  | 0.13933    | 0.13933    | 0.13933    |   0.0 |  2.51
Other   |            | 0.01836    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131720.0 ave      131720 max      131720 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131720
Ave neighs/atom = 65.860000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.176453916202, Press = 1.33489259055119
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -8426.3052   -8426.3052   -8491.0666   -8491.0666    250.63325    250.63325     23894.19     23894.19   -1114.4031   -1114.4031 
   57000   -8428.2564   -8428.2564   -8493.4985   -8493.4985    252.49386    252.49386    23833.537    23833.537    2580.4575    2580.4575 
Loop time of 5.5576 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.546 ns/day, 1.544 hours/ns, 179.934 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.368      | 5.368      | 5.368      |   0.0 | 96.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032024   | 0.032024   | 0.032024   |   0.0 |  0.58
Output  | 4.9572e-05 | 4.9572e-05 | 4.9572e-05 |   0.0 |  0.00
Modify  | 0.13925    | 0.13925    | 0.13925    |   0.0 |  2.51
Other   |            | 0.01832    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131794.0 ave      131794 max      131794 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131794
Ave neighs/atom = 65.897000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.148149949609, Press = 1.51322992605191
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -8428.2564   -8428.2564   -8493.4985   -8493.4985    252.49386    252.49386    23833.537    23833.537    2580.4575    2580.4575 
   58000   -8426.0224   -8426.0224   -8492.2554   -8492.2554    256.32857    256.32857    23912.227    23912.227   -2498.9617   -2498.9617 
Loop time of 5.55438 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.555 ns/day, 1.543 hours/ns, 180.038 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3648     | 5.3648     | 5.3648     |   0.0 | 96.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031972   | 0.031972   | 0.031972   |   0.0 |  0.58
Output  | 4.9554e-05 | 4.9554e-05 | 4.9554e-05 |   0.0 |  0.00
Modify  | 0.13926    | 0.13926    | 0.13926    |   0.0 |  2.51
Other   |            | 0.01832    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131996.0 ave      131996 max      131996 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131996
Ave neighs/atom = 65.998000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.12014452196, Press = 1.45885217563702
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -8426.0224   -8426.0224   -8492.2554   -8492.2554    256.32857    256.32857    23912.227    23912.227   -2498.9617   -2498.9617 
   59000   -8429.3138   -8429.3138   -8494.6993   -8494.6993    253.04885    253.04885     23846.38     23846.38    1466.9605    1466.9605 
Loop time of 5.53993 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.596 ns/day, 1.539 hours/ns, 180.508 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3504     | 5.3504     | 5.3504     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031919   | 0.031919   | 0.031919   |   0.0 |  0.58
Output  | 5.1726e-05 | 5.1726e-05 | 5.1726e-05 |   0.0 |  0.00
Modify  | 0.13923    | 0.13923    | 0.13923    |   0.0 |  2.51
Other   |            | 0.01835    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131536.0 ave      131536 max      131536 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131536
Ave neighs/atom = 65.768000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.10641538723, Press = 1.33613500015096
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -8429.3138   -8429.3138   -8494.6993   -8494.6993    253.04885    253.04885     23846.38     23846.38    1466.9605    1466.9605 
   60000   -8425.9512   -8425.9512   -8493.1569   -8493.1569    260.09319    260.09319    23904.001    23904.001    -2046.056    -2046.056 
Loop time of 5.55914 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.542 ns/day, 1.544 hours/ns, 179.884 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3691     | 5.3691     | 5.3691     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031998   | 0.031998   | 0.031998   |   0.0 |  0.58
Output  | 5.3609e-05 | 5.3609e-05 | 5.3609e-05 |   0.0 |  0.00
Modify  | 0.13956    | 0.13956    | 0.13956    |   0.0 |  2.51
Other   |            | 0.01841    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131946.0 ave      131946 max      131946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131946
Ave neighs/atom = 65.973000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.069633479434, Press = 1.47305118289662
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000   -8425.9512   -8425.9512   -8493.1569   -8493.1569    260.09319    260.09319    23904.001    23904.001    -2046.056    -2046.056 
   61000   -8430.9919   -8430.9919   -8494.6556   -8494.6556    246.38515    246.38515    23822.203    23822.203    3093.7973    3093.7973 
Loop time of 5.54893 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.571 ns/day, 1.541 hours/ns, 180.215 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3592     | 5.3592     | 5.3592     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031963   | 0.031963   | 0.031963   |   0.0 |  0.58
Output  | 5.167e-05  | 5.167e-05  | 5.167e-05  |   0.0 |  0.00
Modify  | 0.13933    | 0.13933    | 0.13933    |   0.0 |  2.51
Other   |            | 0.01837    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131576.0 ave      131576 max      131576 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131576
Ave neighs/atom = 65.788000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.033703071895, Press = 0.746645017534601
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -8430.9919   -8430.9919   -8494.6556   -8494.6556    246.38515    246.38515    23822.203    23822.203    3093.7973    3093.7973 
   62000   -8426.3116   -8426.3116   -8492.2881   -8492.2881     255.3357     255.3357    23914.927    23914.927   -2702.0853   -2702.0853 
Loop time of 5.55623 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.550 ns/day, 1.543 hours/ns, 179.978 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3662     | 5.3662     | 5.3662     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032199   | 0.032199   | 0.032199   |   0.0 |  0.58
Output  | 6.6836e-05 | 6.6836e-05 | 6.6836e-05 |   0.0 |  0.00
Modify  | 0.13935    | 0.13935    | 0.13935    |   0.0 |  2.51
Other   |            | 0.01841    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132072.0 ave      132072 max      132072 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132072
Ave neighs/atom = 66.036000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.028566546492, Press = 2.76019024848968
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -8426.3116   -8426.3116   -8492.2881   -8492.2881     255.3357     255.3357    23914.927    23914.927   -2702.0853   -2702.0853 
   63000   -8427.4618   -8427.4618   -8492.8688   -8492.8688    253.13163    253.13163    23856.153    23856.153    1249.7831    1249.7831 
Loop time of 5.54613 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.578 ns/day, 1.541 hours/ns, 180.306 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3561     | 5.3561     | 5.3561     |   0.0 | 96.57
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032044   | 0.032044   | 0.032044   |   0.0 |  0.58
Output  | 5.2912e-05 | 5.2912e-05 | 5.2912e-05 |   0.0 |  0.00
Modify  | 0.13959    | 0.13959    | 0.13959    |   0.0 |  2.52
Other   |            | 0.01838    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131596.0 ave      131596 max      131596 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131596
Ave neighs/atom = 65.798000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.032950600932, Press = 0.579224449498785
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -8427.4618   -8427.4618   -8492.8688   -8492.8688    253.13163    253.13163    23856.153    23856.153    1249.7831    1249.7831 
   64000   -8428.5648   -8428.5648   -8493.4579   -8493.4579      251.143      251.143    23883.448    23883.448      -830.33      -830.33 
Loop time of 5.56046 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.538 ns/day, 1.545 hours/ns, 179.841 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3705     | 5.3705     | 5.3705     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032154   | 0.032154   | 0.032154   |   0.0 |  0.58
Output  | 5.1818e-05 | 5.1818e-05 | 5.1818e-05 |   0.0 |  0.00
Modify  | 0.13938    | 0.13938    | 0.13938    |   0.0 |  2.51
Other   |            | 0.01834    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131888.0 ave      131888 max      131888 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131888
Ave neighs/atom = 65.944000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.028106032421, Press = 1.8772475397311
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -8428.5648   -8428.5648   -8493.4579   -8493.4579      251.143      251.143    23883.448    23883.448      -830.33      -830.33 
   65000   -8428.3312   -8428.3312   -8494.3691   -8494.3691    255.57366    255.57366    23858.594    23858.594    740.26229    740.26229 
Loop time of 5.55988 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.540 ns/day, 1.544 hours/ns, 179.860 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3698     | 5.3698     | 5.3698     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032173   | 0.032173   | 0.032173   |   0.0 |  0.58
Output  | 5.523e-05  | 5.523e-05  | 5.523e-05  |   0.0 |  0.00
Modify  | 0.13956    | 0.13956    | 0.13956    |   0.0 |  2.51
Other   |            | 0.01834    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131674.0 ave      131674 max      131674 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131674
Ave neighs/atom = 65.837000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.054489389111, Press = 0.736986956007976
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -8428.3312   -8428.3312   -8494.3691   -8494.3691    255.57366    255.57366    23858.594    23858.594    740.26229    740.26229 
   66000   -8425.5913   -8425.5913   -8492.4138   -8492.4138    258.61013    258.61013    23874.796    23874.796    60.070297    60.070297 
Loop time of 5.50109 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.706 ns/day, 1.528 hours/ns, 181.782 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3134     | 5.3134     | 5.3134     |   0.0 | 96.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031842   | 0.031842   | 0.031842   |   0.0 |  0.58
Output  | 4.6845e-05 | 4.6845e-05 | 4.6845e-05 |   0.0 |  0.00
Modify  | 0.13766    | 0.13766    | 0.13766    |   0.0 |  2.50
Other   |            | 0.01814    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131722.0 ave      131722 max      131722 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131722
Ave neighs/atom = 65.861000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.081438780253, Press = 2.55384370410694
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000   -8425.5913   -8425.5913   -8492.4138   -8492.4138    258.61013    258.61013    23874.796    23874.796    60.070297    60.070297 
   67000    -8428.739    -8428.739   -8493.6477   -8493.6477    251.20348    251.20348    23872.174    23872.174   -95.324844   -95.324844 
Loop time of 5.43228 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.905 ns/day, 1.509 hours/ns, 184.085 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2475     | 5.2475     | 5.2475     |   0.0 | 96.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03162    | 0.03162    | 0.03162    |   0.0 |  0.58
Output  | 5.0477e-05 | 5.0477e-05 | 5.0477e-05 |   0.0 |  0.00
Modify  | 0.13536    | 0.13536    | 0.13536    |   0.0 |  2.49
Other   |            | 0.01774    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131888.0 ave      131888 max      131888 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131888
Ave neighs/atom = 65.944000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${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_T253.15.out"  else  "print 'not_converged'  file output/vol_T253.15.out"
print '${V}'  file output/vol_T253.15.out
23873.4978638895

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0