# 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 3.5200000628829002*${_u_distance}
variable latticeconst_converted equal 3.5200000628829002*1
lattice       fcc  ${latticeconst_converted}
lattice       fcc  3.5200000628829
Lattice spacing in x,y,z = 3.5200001 3.5200001 3.5200001
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 (35.200001 35.200001 35.200001)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 4000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (35.200001 35.200001 35.200001)
  create_atoms CPU = 0.001 seconds

variable mass_converted equal 58.6934*${_u_mass}
variable mass_converted equal 58.6934*1

kim_interactions Ni

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

kim interactions Ni
#=== BEGIN kim interactions ==================================
pair_style kim EAM_Dynamo_FoilesHoyt_2006_Ni__MO_776437554506_000
pair_coeff * * Ni
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 58.6934

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 43614.2103374329    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 43614.2103374329/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 43614.2103374329/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 43614.2103374329/(1*1*${_u_distance})
variable      V0_metal equal 43614.2103374329/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 43614.2103374329*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 43614.2103374329 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 333.15*${_u_temperature}
variable temp_converted equal 333.15*1
variable Tdamp_converted equal 0.1*${_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 333.15 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 333.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 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  "333.15 - 0.2"
variable      T_up  equal  "333.15 + 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_776437554506_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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -17627.791   -17627.791       -17800       -17800       333.15       333.15     43614.21     43614.21    4217.4234    4217.4234 
    1000   -17438.707   -17438.707   -17623.867   -17623.867    358.20466    358.20466    44242.334    44242.334   -2869.5179   -2869.5179 
Loop time of 5.35554 on 1 procs for 1000 steps with 4000 atoms

Performance: 16.133 ns/day, 1.488 hours/ns, 186.723 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    | 5.2053     | 5.2053     | 5.2053     |   0.0 | 97.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021706   | 0.021706   | 0.021706   |   0.0 |  0.41
Output  | 0.0001553  | 0.0001553  | 0.0001553  |   0.0 |  0.00
Modify  | 0.11793    | 0.11793    | 0.11793    |   0.0 |  2.20
Other   |            | 0.01045    |            |       |  0.20

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 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:      536000.0 ave      536000 max      536000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 536000
Ave neighs/atom = 134.00000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -17438.707   -17438.707   -17623.867   -17623.867    358.20466    358.20466    44242.334    44242.334   -2869.5179   -2869.5179 
    2000   -17454.608   -17454.608   -17623.773   -17623.773     327.2607     327.2607    44144.985    44144.985    533.04103    533.04103 
Loop time of 8.49336 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.173 ns/day, 2.359 hours/ns, 117.739 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.3437     | 8.3437     | 8.3437     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021677   | 0.021677   | 0.021677   |   0.0 |  0.26
Output  | 5.7648e-05 | 5.7648e-05 | 5.7648e-05 |   0.0 |  0.00
Modify  | 0.11761    | 0.11761    | 0.11761    |   0.0 |  1.38
Other   |            | 0.01027    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5845.00 ave        5845 max        5845 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:      534738.0 ave      534738 max      534738 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534738
Ave neighs/atom = 133.68450
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -17454.608   -17454.608   -17623.773   -17623.773     327.2607     327.2607    44144.985    44144.985    533.04103    533.04103 
    3000   -17447.239   -17447.239   -17620.857   -17620.857    335.87534    335.87534     44190.84     44190.84   -784.82424   -784.82424 
Loop time of 8.47477 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.195 ns/day, 2.354 hours/ns, 117.997 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.3255     | 8.3255     | 8.3255     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021572   | 0.021572   | 0.021572   |   0.0 |  0.25
Output  | 5.7267e-05 | 5.7267e-05 | 5.7267e-05 |   0.0 |  0.00
Modify  | 0.11736    | 0.11736    | 0.11736    |   0.0 |  1.38
Other   |            | 0.01032    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 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:      535074.0 ave      535074 max      535074 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 535074
Ave neighs/atom = 133.76850
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -17447.239   -17447.239   -17620.857   -17620.857    335.87534    335.87534     44190.84     44190.84   -784.82424   -784.82424 
    4000   -17449.256   -17449.256   -17624.221   -17624.221    338.48079    338.48079    44161.616    44161.616    3.7028778    3.7028778 
Loop time of 8.4853 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.182 ns/day, 2.357 hours/ns, 117.851 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.3359     | 8.3359     | 8.3359     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021634   | 0.021634   | 0.021634   |   0.0 |  0.25
Output  | 4.2229e-05 | 4.2229e-05 | 4.2229e-05 |   0.0 |  0.00
Modify  | 0.11745    | 0.11745    | 0.11745    |   0.0 |  1.38
Other   |            | 0.01028    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5845.00 ave        5845 max        5845 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:      534786.0 ave      534786 max      534786 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534786
Ave neighs/atom = 133.69650
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -17449.256   -17449.256   -17624.221   -17624.221    338.48079    338.48079    44161.616    44161.616    3.7028778    3.7028778 
    5000   -17451.389   -17451.389   -17622.258   -17622.258    330.55763    330.55763    44143.658    44143.658     795.3398     795.3398 
Loop time of 8.48495 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.183 ns/day, 2.357 hours/ns, 117.856 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.3353     | 8.3353     | 8.3353     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02157    | 0.02157    | 0.02157    |   0.0 |  0.25
Output  | 4.0546e-05 | 4.0546e-05 | 4.0546e-05 |   0.0 |  0.00
Modify  | 0.11778    | 0.11778    | 0.11778    |   0.0 |  1.39
Other   |            | 0.0103     |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5842.00 ave        5842 max        5842 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:      534936.0 ave      534936 max      534936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534936
Ave neighs/atom = 133.73400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.065656464634, Press = -645.629035285795
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -17451.389   -17451.389   -17622.258   -17622.258    330.55763    330.55763    44143.658    44143.658     795.3398     795.3398 
    6000    -17447.84    -17447.84    -17622.54    -17622.54    337.97026    337.97026    44205.668    44205.668   -1593.8141   -1593.8141 
Loop time of 8.47376 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.196 ns/day, 2.354 hours/ns, 118.011 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.321      | 8.321      | 8.321      |   0.0 | 98.20
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02154    | 0.02154    | 0.02154    |   0.0 |  0.25
Output  | 3.162e-05  | 3.162e-05  | 3.162e-05  |   0.0 |  0.00
Modify  | 0.12087    | 0.12087    | 0.12087    |   0.0 |  1.43
Other   |            | 0.0103     |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5847.00 ave        5847 max        5847 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:      534978.0 ave      534978 max      534978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534978
Ave neighs/atom = 133.74450
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.684591050421, Press = 0.344053273092093
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000    -17447.84    -17447.84    -17622.54    -17622.54    337.97026    337.97026    44205.668    44205.668   -1593.8141   -1593.8141 
    7000   -17451.461   -17451.461   -17624.043   -17624.043    333.87265    333.87265    44088.904    44088.904     2820.961     2820.961 
Loop time of 8.49923 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.166 ns/day, 2.361 hours/ns, 117.658 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.3464     | 8.3464     | 8.3464     |   0.0 | 98.20
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021681   | 0.021681   | 0.021681   |   0.0 |  0.26
Output  | 3.2712e-05 | 3.2712e-05 | 3.2712e-05 |   0.0 |  0.00
Modify  | 0.12076    | 0.12076    | 0.12076    |   0.0 |  1.42
Other   |            | 0.01031    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5845.00 ave        5845 max        5845 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:      534880.0 ave      534880 max      534880 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534880
Ave neighs/atom = 133.72000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.02534755573, Press = -23.7381298992103
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -17451.461   -17451.461   -17624.043   -17624.043    333.87265    333.87265    44088.904    44088.904     2820.961     2820.961 
    8000   -17446.958   -17446.958   -17622.527   -17622.527    339.65056    339.65056    44227.701    44227.701   -2407.9494   -2407.9494 
Loop time of 8.48713 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.180 ns/day, 2.358 hours/ns, 117.825 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.3343     | 8.3343     | 8.3343     |   0.0 | 98.20
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021667   | 0.021667   | 0.021667   |   0.0 |  0.26
Output  | 3.3633e-05 | 3.3633e-05 | 3.3633e-05 |   0.0 |  0.00
Modify  | 0.12082    | 0.12082    | 0.12082    |   0.0 |  1.42
Other   |            | 0.01035    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5843.00 ave        5843 max        5843 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:      535090.0 ave      535090 max      535090 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 535090
Ave neighs/atom = 133.77250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.9763211328, Press = -13.8766895713374
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -17446.958   -17446.958   -17622.527   -17622.527    339.65056    339.65056    44227.701    44227.701   -2407.9494   -2407.9494 
    9000   -17451.802   -17451.802   -17622.529   -17622.529    330.28352    330.28352    44136.263    44136.263    1046.9391    1046.9391 
Loop time of 8.4113 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.272 ns/day, 2.336 hours/ns, 118.888 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.2584     | 8.2584     | 8.2584     |   0.0 | 98.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021686   | 0.021686   | 0.021686   |   0.0 |  0.26
Output  | 3.1499e-05 | 3.1499e-05 | 3.1499e-05 |   0.0 |  0.00
Modify  | 0.12084    | 0.12084    | 0.12084    |   0.0 |  1.44
Other   |            | 0.01034    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 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:      534792.0 ave      534792 max      534792 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534792
Ave neighs/atom = 133.69800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.014089506739, Press = 0.349107336680648
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -17451.802   -17451.802   -17622.529   -17622.529    330.28352    330.28352    44136.263    44136.263    1046.9391    1046.9391 
   10000   -17447.927   -17447.927   -17619.822   -17619.822    332.54238    332.54238    44180.514    44180.514   -368.83498   -368.83498 
Loop time of 8.44549 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.230 ns/day, 2.346 hours/ns, 118.406 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.2925     | 8.2925     | 8.2925     |   0.0 | 98.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021772   | 0.021772   | 0.021772   |   0.0 |  0.26
Output  | 3.2801e-05 | 3.2801e-05 | 3.2801e-05 |   0.0 |  0.00
Modify  | 0.12079    | 0.12079    | 0.12079    |   0.0 |  1.43
Other   |            | 0.01036    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 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:      534868.0 ave      534868 max      534868 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534868
Ave neighs/atom = 133.71700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.190044435082, Press = -11.9506049230757
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -17447.927   -17447.927   -17619.822   -17619.822    332.54238    332.54238    44180.514    44180.514   -368.83498   -368.83498 
   11000   -17452.102   -17452.102   -17624.106   -17624.106    332.75391    332.75391    44155.814    44155.814    137.29569    137.29569 
Loop time of 8.46188 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.210 ns/day, 2.351 hours/ns, 118.177 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.3089     | 8.3089     | 8.3089     |   0.0 | 98.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021678   | 0.021678   | 0.021678   |   0.0 |  0.26
Output  | 3.1759e-05 | 3.1759e-05 | 3.1759e-05 |   0.0 |  0.00
Modify  | 0.12089    | 0.12089    | 0.12089    |   0.0 |  1.43
Other   |            | 0.01035    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5843.00 ave        5843 max        5843 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:      534910.0 ave      534910 max      534910 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534910
Ave neighs/atom = 133.72750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.977174848462, Press = 2.03382801899851
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -17452.102   -17452.102   -17624.106   -17624.106    332.75391    332.75391    44155.814    44155.814    137.29569    137.29569 
   12000   -17445.649   -17445.649   -17619.611   -17619.611    336.54182    336.54182    44156.473    44156.473    564.59949    564.59949 
Loop time of 8.4472 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.228 ns/day, 2.346 hours/ns, 118.382 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.2941     | 8.2941     | 8.2941     |   0.0 | 98.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021763   | 0.021763   | 0.021763   |   0.0 |  0.26
Output  | 4.2439e-05 | 4.2439e-05 | 4.2439e-05 |   0.0 |  0.00
Modify  | 0.12093    | 0.12093    | 0.12093    |   0.0 |  1.43
Other   |            | 0.01039    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5842.00 ave        5842 max        5842 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:      534896.0 ave      534896 max      534896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534896
Ave neighs/atom = 133.72400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.178074194456, Press = -8.69170840104315
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -17445.649   -17445.649   -17619.611   -17619.611    336.54182    336.54182    44156.473    44156.473    564.59949    564.59949 
   13000   -17452.627   -17452.627   -17623.011   -17623.011    329.61968    329.61968    44175.783    44175.783   -516.14524   -516.14524 
Loop time of 8.40763 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.276 ns/day, 2.335 hours/ns, 118.940 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.2546     | 8.2546     | 8.2546     |   0.0 | 98.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021688   | 0.021688   | 0.021688   |   0.0 |  0.26
Output  | 3.2932e-05 | 3.2932e-05 | 3.2932e-05 |   0.0 |  0.00
Modify  | 0.12094    | 0.12094    | 0.12094    |   0.0 |  1.44
Other   |            | 0.01034    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 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:      534838.0 ave      534838 max      534838 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534838
Ave neighs/atom = 133.70950
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.142004592522, Press = -2.72582663009465
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -17452.627   -17452.627   -17623.011   -17623.011    329.61968    329.61968    44175.783    44175.783   -516.14524   -516.14524 
   14000   -17449.654   -17449.654   -17621.963   -17621.963     333.3436     333.3436    44155.802    44155.802    350.32447    350.32447 
Loop time of 8.40679 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.277 ns/day, 2.335 hours/ns, 118.952 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.2537     | 8.2537     | 8.2537     |   0.0 | 98.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021746   | 0.021746   | 0.021746   |   0.0 |  0.26
Output  | 3.188e-05  | 3.188e-05  | 3.188e-05  |   0.0 |  0.00
Modify  | 0.12097    | 0.12097    | 0.12097    |   0.0 |  1.44
Other   |            | 0.01032    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 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:      534784.0 ave      534784 max      534784 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534784
Ave neighs/atom = 133.69600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.101499570302, Press = -4.04548538217918
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -17449.654   -17449.654   -17621.963   -17621.963     333.3436     333.3436    44155.802    44155.802    350.32447    350.32447 
   15000    -17451.54    -17451.54   -17622.802   -17622.802    331.31697    331.31697    44169.799    44169.799   -256.09102   -256.09102 
Loop time of 8.49405 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.172 ns/day, 2.359 hours/ns, 117.729 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.3411     | 8.3411     | 8.3411     |   0.0 | 98.20
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021711   | 0.021711   | 0.021711   |   0.0 |  0.26
Output  | 6.0974e-05 | 6.0974e-05 | 6.0974e-05 |   0.0 |  0.00
Modify  | 0.12087    | 0.12087    | 0.12087    |   0.0 |  1.42
Other   |            | 0.01035    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5847.00 ave        5847 max        5847 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:      535006.0 ave      535006 max      535006 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 535006
Ave neighs/atom = 133.75150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.874026611062, Press = -3.64970670590737
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000    -17451.54    -17451.54   -17622.802   -17622.802    331.31697    331.31697    44169.799    44169.799   -256.09102   -256.09102 
   16000   -17449.572   -17449.572   -17621.999   -17621.999    333.57208    333.57208    44151.767    44151.767    564.61815    564.61815 
Loop time of 8.4721 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.198 ns/day, 2.353 hours/ns, 118.034 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.3193     | 8.3193     | 8.3193     |   0.0 | 98.20
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021647   | 0.021647   | 0.021647   |   0.0 |  0.26
Output  | 3.196e-05  | 3.196e-05  | 3.196e-05  |   0.0 |  0.00
Modify  | 0.12083    | 0.12083    | 0.12083    |   0.0 |  1.43
Other   |            | 0.01034    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 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:      534964.0 ave      534964 max      534964 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534964
Ave neighs/atom = 133.74100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.918360045889, Press = -0.931874191700147
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -17449.572   -17449.572   -17621.999   -17621.999    333.57208    333.57208    44151.767    44151.767    564.61815    564.61815 
   17000   -17455.708   -17455.708   -17625.037   -17625.037    327.57852    327.57852    44158.841    44158.841   -160.73164   -160.73164 
Loop time of 8.4116 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.272 ns/day, 2.337 hours/ns, 118.883 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.2587     | 8.2587     | 8.2587     |   0.0 | 98.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021691   | 0.021691   | 0.021691   |   0.0 |  0.26
Output  | 3.206e-05  | 3.206e-05  | 3.206e-05  |   0.0 |  0.00
Modify  | 0.12087    | 0.12087    | 0.12087    |   0.0 |  1.44
Other   |            | 0.01034    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 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:      534886.0 ave      534886 max      534886 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534886
Ave neighs/atom = 133.72150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.770429375001, Press = -7.04672898857995
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -17455.708   -17455.708   -17625.037   -17625.037    327.57852    327.57852    44158.841    44158.841   -160.73164   -160.73164 
   18000    -17447.66    -17447.66   -17623.122   -17623.122    339.44327    339.44327    44198.414    44198.414   -1332.1003   -1332.1003 
Loop time of 8.46467 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.207 ns/day, 2.351 hours/ns, 118.138 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.3117     | 8.3117     | 8.3117     |   0.0 | 98.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021616   | 0.021616   | 0.021616   |   0.0 |  0.26
Output  | 3.158e-05  | 3.158e-05  | 3.158e-05  |   0.0 |  0.00
Modify  | 0.12093    | 0.12093    | 0.12093    |   0.0 |  1.43
Other   |            | 0.01037    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 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:      534996.0 ave      534996 max      534996 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534996
Ave neighs/atom = 133.74900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.698668299032, Press = 2.02135067845972
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000    -17447.66    -17447.66   -17623.122   -17623.122    339.44327    339.44327    44198.414    44198.414   -1332.1003   -1332.1003 
   19000    -17453.93    -17453.93   -17624.626   -17624.626    330.22431    330.22431    44114.585    44114.585    1667.4822    1667.4822 
Loop time of 8.45321 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.221 ns/day, 2.348 hours/ns, 118.298 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.3002     | 8.3002     | 8.3002     |   0.0 | 98.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021724   | 0.021724   | 0.021724   |   0.0 |  0.26
Output  | 4.1197e-05 | 4.1197e-05 | 4.1197e-05 |   0.0 |  0.00
Modify  | 0.12093    | 0.12093    | 0.12093    |   0.0 |  1.43
Other   |            | 0.01034    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 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:      534878.0 ave      534878 max      534878 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534878
Ave neighs/atom = 133.71950
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.618709148686, Press = -5.24348635907765
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000    -17453.93    -17453.93   -17624.626   -17624.626    330.22431    330.22431    44114.585    44114.585    1667.4822    1667.4822 
   20000   -17448.896   -17448.896   -17619.942   -17619.942    330.90015    330.90015    44196.908    44196.908   -1056.6918   -1056.6918 
Loop time of 8.48772 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.179 ns/day, 2.358 hours/ns, 117.817 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.3348     | 8.3348     | 8.3348     |   0.0 | 98.20
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021742   | 0.021742   | 0.021742   |   0.0 |  0.26
Output  | 3.2741e-05 | 3.2741e-05 | 3.2741e-05 |   0.0 |  0.00
Modify  | 0.12085    | 0.12085    | 0.12085    |   0.0 |  1.42
Other   |            | 0.01033    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5845.00 ave        5845 max        5845 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:      535048.0 ave      535048 max      535048 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 535048
Ave neighs/atom = 133.76200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.537876595109, Press = -1.16728221081214
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -17448.896   -17448.896   -17619.942   -17619.942    330.90015    330.90015    44196.908    44196.908   -1056.6918   -1056.6918 
   21000   -17450.355   -17450.355   -17621.121   -17621.121    330.35954    330.35954    44151.886    44151.886    633.07231    633.07231 
Loop time of 8.44573 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.230 ns/day, 2.346 hours/ns, 118.403 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.293      | 8.293      | 8.293      |   0.0 | 98.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021626   | 0.021626   | 0.021626   |   0.0 |  0.26
Output  | 3.2581e-05 | 3.2581e-05 | 3.2581e-05 |   0.0 |  0.00
Modify  | 0.12075    | 0.12075    | 0.12075    |   0.0 |  1.43
Other   |            | 0.01029    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 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:      534766.0 ave      534766 max      534766 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534766
Ave neighs/atom = 133.69150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.504540666525, Press = -1.94118882637862
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -17450.355   -17450.355   -17621.121   -17621.121    330.35954    330.35954    44151.886    44151.886    633.07231    633.07231 
   22000   -17451.709   -17451.709     -17622.6     -17622.6    330.59994    330.59994    44172.441    44172.441   -333.04147   -333.04147 
Loop time of 8.39206 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.295 ns/day, 2.331 hours/ns, 119.160 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.2392     | 8.2392     | 8.2392     |   0.0 | 98.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02175    | 0.02175    | 0.02175    |   0.0 |  0.26
Output  | 3.4034e-05 | 3.4034e-05 | 3.4034e-05 |   0.0 |  0.00
Modify  | 0.12079    | 0.12079    | 0.12079    |   0.0 |  1.44
Other   |            | 0.01032    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 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:      534738.0 ave      534738 max      534738 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534738
Ave neighs/atom = 133.68450
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.617517410413, Press = -2.06949118530264
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -17451.709   -17451.709     -17622.6     -17622.6    330.59994    330.59994    44172.441    44172.441   -333.04147   -333.04147 
   23000   -17445.133   -17445.133   -17619.536   -17619.536    337.39352    337.39352    44155.464    44155.464    713.87677    713.87677 
Loop time of 8.47303 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.197 ns/day, 2.354 hours/ns, 118.022 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.3199     | 8.3199     | 8.3199     |   0.0 | 98.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021932   | 0.021932   | 0.021932   |   0.0 |  0.26
Output  | 3.215e-05  | 3.215e-05  | 3.215e-05  |   0.0 |  0.00
Modify  | 0.1208     | 0.1208     | 0.1208     |   0.0 |  1.43
Other   |            | 0.01036    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5849.00 ave        5849 max        5849 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:      534814.0 ave      534814 max      534814 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534814
Ave neighs/atom = 133.70350
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.732003487056, Press = -1.3855277461791
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -17445.133   -17445.133   -17619.536   -17619.536    337.39352    337.39352    44155.464    44155.464    713.87677    713.87677 
   24000   -17452.541   -17452.541   -17623.164   -17623.164    330.08231    330.08231    44200.541    44200.541   -1504.4511   -1504.4511 
Loop time of 8.42007 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.261 ns/day, 2.339 hours/ns, 118.764 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.2672     | 8.2672     | 8.2672     |   0.0 | 98.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021655   | 0.021655   | 0.021655   |   0.0 |  0.26
Output  | 3.169e-05  | 3.169e-05  | 3.169e-05  |   0.0 |  0.00
Modify  | 0.12083    | 0.12083    | 0.12083    |   0.0 |  1.44
Other   |            | 0.01035    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5848.00 ave        5848 max        5848 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:      534842.0 ave      534842 max      534842 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534842
Ave neighs/atom = 133.71050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.842337197636, Press = -3.28531525965634
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -17452.541   -17452.541   -17623.164   -17623.164    330.08231    330.08231    44200.541    44200.541   -1504.4511   -1504.4511 
   25000   -17448.772   -17448.772    -17622.96    -17622.96    336.97823    336.97823    44132.168    44132.168    1294.0739    1294.0739 
Loop time of 8.40171 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.284 ns/day, 2.334 hours/ns, 119.023 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.249      | 8.249      | 8.249      |   0.0 | 98.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02163    | 0.02163    | 0.02163    |   0.0 |  0.26
Output  | 3.19e-05   | 3.19e-05   | 3.19e-05   |   0.0 |  0.00
Modify  | 0.1207     | 0.1207     | 0.1207     |   0.0 |  1.44
Other   |            | 0.01034    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5842.00 ave        5842 max        5842 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:      534868.0 ave      534868 max      534868 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534868
Ave neighs/atom = 133.71700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.885177197573, Press = 0.472608250384812
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -17448.772   -17448.772    -17622.96    -17622.96    336.97823    336.97823    44132.168    44132.168    1294.0739    1294.0739 
   26000   -17454.327   -17454.327   -17625.556   -17625.556    331.25406    331.25406    44184.074    44184.074   -1118.0392   -1118.0392 
Loop time of 8.48035 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.188 ns/day, 2.356 hours/ns, 117.920 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.3277     | 8.3277     | 8.3277     |   0.0 | 98.20
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021533   | 0.021533   | 0.021533   |   0.0 |  0.25
Output  | 4.0716e-05 | 4.0716e-05 | 4.0716e-05 |   0.0 |  0.00
Modify  | 0.12076    | 0.12076    | 0.12076    |   0.0 |  1.42
Other   |            | 0.01034    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 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:      534950.0 ave      534950 max      534950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534950
Ave neighs/atom = 133.73750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.881287927736, Press = -4.96345857202974
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -17454.327   -17454.327   -17625.556   -17625.556    331.25406    331.25406    44184.074    44184.074   -1118.0392   -1118.0392 
   27000    -17448.77    -17448.77   -17623.021   -17623.021    337.09994    337.09994    44150.224    44150.224    512.32765    512.32765 
Loop time of 8.4128 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.270 ns/day, 2.337 hours/ns, 118.866 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.26       | 8.26       | 8.26       |   0.0 | 98.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021637   | 0.021637   | 0.021637   |   0.0 |  0.26
Output  | 3.2702e-05 | 3.2702e-05 | 3.2702e-05 |   0.0 |  0.00
Modify  | 0.12076    | 0.12076    | 0.12076    |   0.0 |  1.44
Other   |            | 0.01033    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5843.00 ave        5843 max        5843 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:      534892.0 ave      534892 max      534892 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534892
Ave neighs/atom = 133.72300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.896803892605, Press = 1.03926235922837
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000    -17448.77    -17448.77   -17623.021   -17623.021    337.09994    337.09994    44150.224    44150.224    512.32765    512.32765 
   28000   -17450.874   -17450.874   -17624.265   -17624.265    335.43628    335.43628    44152.787    44152.787    306.43456    306.43456 
Loop time of 8.47656 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.193 ns/day, 2.355 hours/ns, 117.972 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.3236     | 8.3236     | 8.3236     |   0.0 | 98.20
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02166    | 0.02166    | 0.02166    |   0.0 |  0.26
Output  | 3.2411e-05 | 3.2411e-05 | 3.2411e-05 |   0.0 |  0.00
Modify  | 0.12088    | 0.12088    | 0.12088    |   0.0 |  1.43
Other   |            | 0.01035    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5849.00 ave        5849 max        5849 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:      534916.0 ave      534916 max      534916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534916
Ave neighs/atom = 133.72900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.973471007064, Press = -2.94834038060794
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -17450.874   -17450.874   -17624.265   -17624.265    335.43628    335.43628    44152.787    44152.787    306.43456    306.43456 
   29000   -17443.485   -17443.485   -17618.733   -17618.733    339.02959    339.02959    44188.774    44188.774   -496.34208   -496.34208 
Loop time of 8.48477 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.183 ns/day, 2.357 hours/ns, 117.858 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.332      | 8.332      | 8.332      |   0.0 | 98.20
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021644   | 0.021644   | 0.021644   |   0.0 |  0.26
Output  | 3.4365e-05 | 3.4365e-05 | 3.4365e-05 |   0.0 |  0.00
Modify  | 0.12075    | 0.12075    | 0.12075    |   0.0 |  1.42
Other   |            | 0.01037    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5843.00 ave        5843 max        5843 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:      535030.0 ave      535030 max      535030 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 535030
Ave neighs/atom = 133.75750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.035989667273, Press = -0.85914719210917
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -17443.485   -17443.485   -17618.733   -17618.733    339.02959    339.02959    44188.774    44188.774   -496.34208   -496.34208 
   30000   -17452.142   -17452.142    -17621.84    -17621.84    328.29109    328.29109    44148.699    44148.699    597.36258    597.36258 
Loop time of 8.47565 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.194 ns/day, 2.354 hours/ns, 117.985 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.3228     | 8.3228     | 8.3228     |   0.0 | 98.20
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021624   | 0.021624   | 0.021624   |   0.0 |  0.26
Output  | 3.2631e-05 | 3.2631e-05 | 3.2631e-05 |   0.0 |  0.00
Modify  | 0.12089    | 0.12089    | 0.12089    |   0.0 |  1.43
Other   |            | 0.0103     |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5842.00 ave        5842 max        5842 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:      534652.0 ave      534652 max      534652 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534652
Ave neighs/atom = 133.66300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.094875699404, Press = -1.76142871672627
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -17452.142   -17452.142    -17621.84    -17621.84    328.29109    328.29109    44148.699    44148.699    597.36258    597.36258 
   31000   -17446.208   -17446.208   -17617.787   -17617.787    331.93173    331.93173    44208.928    44208.928   -1276.1321   -1276.1321 
Loop time of 8.47644 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.193 ns/day, 2.355 hours/ns, 117.974 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.3237     | 8.3237     | 8.3237     |   0.0 | 98.20
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021649   | 0.021649   | 0.021649   |   0.0 |  0.26
Output  | 3.2321e-05 | 3.2321e-05 | 3.2321e-05 |   0.0 |  0.00
Modify  | 0.12079    | 0.12079    | 0.12079    |   0.0 |  1.43
Other   |            | 0.01031    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5846.00 ave        5846 max        5846 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:      534826.0 ave      534826 max      534826 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534826
Ave neighs/atom = 133.70650
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.172844539614, Press = -1.44932508864574
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -17446.208   -17446.208   -17617.787   -17617.787    331.93173    331.93173    44208.928    44208.928   -1276.1321   -1276.1321 
   32000   -17452.635   -17452.635   -17623.272   -17623.272     330.1074     330.1074     44079.75     44079.75    3165.7421    3165.7421 
Loop time of 8.40837 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.275 ns/day, 2.336 hours/ns, 118.929 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.2556     | 8.2556     | 8.2556     |   0.0 | 98.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021666   | 0.021666   | 0.021666   |   0.0 |  0.26
Output  | 3.189e-05  | 3.189e-05  | 3.189e-05  |   0.0 |  0.00
Modify  | 0.12078    | 0.12078    | 0.12078    |   0.0 |  1.44
Other   |            | 0.0103     |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 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:      534568.0 ave      534568 max      534568 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534568
Ave neighs/atom = 133.64200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.202313164065, Press = -0.709201420985802
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -17452.635   -17452.635   -17623.272   -17623.272     330.1074     330.1074     44079.75     44079.75    3165.7421    3165.7421 
   33000   -17449.704   -17449.704   -17621.581   -17621.581    332.50893    332.50893    44213.803    44213.803   -1835.0785   -1835.0785 
Loop time of 8.44027 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.237 ns/day, 2.345 hours/ns, 118.480 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.2875     | 8.2875     | 8.2875     |   0.0 | 98.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0216     | 0.0216     | 0.0216     |   0.0 |  0.26
Output  | 3.8712e-05 | 3.8712e-05 | 3.8712e-05 |   0.0 |  0.00
Modify  | 0.12079    | 0.12079    | 0.12079    |   0.0 |  1.43
Other   |            | 0.01035    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5848.00 ave        5848 max        5848 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:      535048.0 ave      535048 max      535048 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 535048
Ave neighs/atom = 133.76200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.155960720919, Press = -2.47418676045915
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -17449.704   -17449.704   -17621.581   -17621.581    332.50893    332.50893    44213.803    44213.803   -1835.0785   -1835.0785 
   34000    -17450.97    -17450.97   -17622.073   -17622.073    331.00882    331.00882    44142.457    44142.457    905.48479    905.48479 
Loop time of 8.47598 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.194 ns/day, 2.354 hours/ns, 117.980 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.3233     | 8.3233     | 8.3233     |   0.0 | 98.20
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021595   | 0.021595   | 0.021595   |   0.0 |  0.25
Output  | 3.204e-05  | 3.204e-05  | 3.204e-05  |   0.0 |  0.00
Modify  | 0.12077    | 0.12077    | 0.12077    |   0.0 |  1.42
Other   |            | 0.01031    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5843.00 ave        5843 max        5843 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:      534502.0 ave      534502 max      534502 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534502
Ave neighs/atom = 133.62550
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.176533057104, Press = -0.249244216457466
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000    -17450.97    -17450.97   -17622.073   -17622.073    331.00882    331.00882    44142.457    44142.457    905.48479    905.48479 
   35000   -17445.938   -17445.938   -17619.154   -17619.154    335.09739    335.09739    44170.293    44170.293    176.53415    176.53415 
Loop time of 8.3814 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.309 ns/day, 2.328 hours/ns, 119.312 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    | 8.2286     | 8.2286     | 8.2286     |   0.0 | 98.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021823   | 0.021823   | 0.021823   |   0.0 |  0.26
Output  | 3.2591e-05 | 3.2591e-05 | 3.2591e-05 |   0.0 |  0.00
Modify  | 0.12064    | 0.12064    | 0.12064    |   0.0 |  1.44
Other   |            | 0.01031    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5847.00 ave        5847 max        5847 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:      534894.0 ave      534894 max      534894 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534894
Ave neighs/atom = 133.72350
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.223886765056, Press = -1.71558465711179
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -17445.938   -17445.938   -17619.154   -17619.154    335.09739    335.09739    44170.293    44170.293    176.53415    176.53415 
   36000   -17451.379   -17451.379    -17621.85    -17621.85    329.78716    329.78716     44173.64     44173.64   -357.43466   -357.43466 
Loop time of 8.44131 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.235 ns/day, 2.345 hours/ns, 118.465 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    | 8.2885     | 8.2885     | 8.2885     |   0.0 | 98.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02183    | 0.02183    | 0.02183    |   0.0 |  0.26
Output  | 3.4134e-05 | 3.4134e-05 | 3.4134e-05 |   0.0 |  0.00
Modify  | 0.1206     | 0.1206     | 0.1206     |   0.0 |  1.43
Other   |            | 0.01031    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5842.00 ave        5842 max        5842 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:      534602.0 ave      534602 max      534602 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534602
Ave neighs/atom = 133.65050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.287270429834, Press = -1.22097372104997
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -17451.379   -17451.379    -17621.85    -17621.85    329.78716    329.78716     44173.64     44173.64   -357.43466   -357.43466 
   37000   -17446.908   -17446.908    -17620.58    -17620.58    335.98094    335.98094    44159.645    44159.645    332.15126    332.15126 
Loop time of 8.43364 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.245 ns/day, 2.343 hours/ns, 118.573 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    | 8.2811     | 8.2811     | 8.2811     |   0.0 | 98.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021632   | 0.021632   | 0.021632   |   0.0 |  0.26
Output  | 3.3793e-05 | 3.3793e-05 | 3.3793e-05 |   0.0 |  0.00
Modify  | 0.12058    | 0.12058    | 0.12058    |   0.0 |  1.43
Other   |            | 0.01029    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5843.00 ave        5843 max        5843 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:      534920.0 ave      534920 max      534920 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534920
Ave neighs/atom = 133.73000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.294711307583, Press = -0.773141285548967
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -17446.908   -17446.908    -17620.58    -17620.58    335.98094    335.98094    44159.645    44159.645    332.15126    332.15126 
   38000   -17455.282   -17455.282    -17625.02    -17625.02    328.36952    328.36952    44165.003    44165.003    -432.7071    -432.7071 
Loop time of 8.45848 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.215 ns/day, 2.350 hours/ns, 118.224 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    | 8.3057     | 8.3057     | 8.3057     |   0.0 | 98.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021672   | 0.021672   | 0.021672   |   0.0 |  0.26
Output  | 3.2852e-05 | 3.2852e-05 | 3.2852e-05 |   0.0 |  0.00
Modify  | 0.12073    | 0.12073    | 0.12073    |   0.0 |  1.43
Other   |            | 0.01032    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5851.00 ave        5851 max        5851 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:      534786.0 ave      534786 max      534786 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534786
Ave neighs/atom = 133.69650
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.226306083248, Press = -2.15687561054822
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -17455.282   -17455.282    -17625.02    -17625.02    328.36952    328.36952    44165.003    44165.003    -432.7071    -432.7071 
   39000   -17449.196   -17449.196    -17621.43    -17621.43    333.19817    333.19817    44183.657    44183.657   -679.35798   -679.35798 
Loop time of 8.44703 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.228 ns/day, 2.346 hours/ns, 118.385 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    | 8.2944     | 8.2944     | 8.2944     |   0.0 | 98.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021641   | 0.021641   | 0.021641   |   0.0 |  0.26
Output  | 3.223e-05  | 3.223e-05  | 3.223e-05  |   0.0 |  0.00
Modify  | 0.12062    | 0.12062    | 0.12062    |   0.0 |  1.43
Other   |            | 0.01032    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5841.00 ave        5841 max        5841 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:      534884.0 ave      534884 max      534884 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534884
Ave neighs/atom = 133.72100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.207905048167, Press = 0.312253255129643
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -17449.196   -17449.196    -17621.43    -17621.43    333.19817    333.19817    44183.657    44183.657   -679.35798   -679.35798 
   40000   -17453.411   -17453.411    -17626.51    -17626.51    334.87136    334.87136    44123.876    44123.876    1206.2295    1206.2295 
Loop time of 8.4427 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.234 ns/day, 2.345 hours/ns, 118.445 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    | 8.2899     | 8.2899     | 8.2899     |   0.0 | 98.19
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021648   | 0.021648   | 0.021648   |   0.0 |  0.26
Output  | 3.8852e-05 | 3.8852e-05 | 3.8852e-05 |   0.0 |  0.00
Modify  | 0.12077    | 0.12077    | 0.12077    |   0.0 |  1.43
Other   |            | 0.01033    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5844.00 ave        5844 max        5844 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:      534850.0 ave      534850 max      534850 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 534850
Ave neighs/atom = 133.71250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.141202824454, Press = -2.65988353958882
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 = 6.85
  ghost atom cutoff = 6.85
  binsize = 3.425, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.85
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.370 | 5.370 | 5.370 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -17453.411   -17453.411    -17626.51    -17626.51    334.87136    334.87136    44123.876    44123.876    1206.2295    1206.2295 
   41000   -17446.309   -17446.309   -17620.079   -17620.079     336.1692     336.1692    44228.639    44228.639   -2268.0014   -2268.0014 
Loop time of 8.45345 on 1 procs for 1000 steps with 4000 atoms

Performance: 10.221 ns/day, 2.348 hours/ns, 118.295 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    | 8.3011     | 8.3011     | 8.3011     |   0.0 | 98.20
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021598   | 0.021598   | 0.021598   |   0.0 |  0.26
Output  | 3.5466e-05 | 3.5466e-05 | 3.5466e-05 |   0.0 |  0.00
Modify  | 0.12061    | 0.12061    | 0.12061    |   0.0 |  1.43
Other   |            | 0.01015    |            |       |  0.12

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5845.00 ave        5845 max        5845 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:      535034.0 ave      535034 max      535034 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 535034
Ave neighs/atom = 133.75850
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${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_T333.15.out"  else  "print 'not_converged'  file output/vol_T333.15.out"
print '${V}'  file output/vol_T333.15.out
44164.7599737696

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0