# 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 3.5564776659011836*${_u_distance}
variable latticeconst_converted equal 3.5564776659011836*1
lattice       diamond  ${latticeconst_converted}
lattice       diamond  3.55647766590118
Lattice spacing in x,y,z = 3.5564777 3.5564777 3.5564777
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 (35.564777 35.564777 35.564777)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 8000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (35.564777 35.564777 35.564777)
  create_atoms CPU = 0.005 seconds

variable mass_converted equal 12.0107*${_u_mass}
variable mass_converted equal 12.0107*1

kim_interactions C

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

kim interactions C
#=== BEGIN kim interactions ==================================
pair_style kim MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_001
pair_coeff * * C
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 12.0107

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 44984.2265010191    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 44984.2265010191/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 44984.2265010191/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 44984.2265010191/(1*1*${_u_distance})
variable      V0_metal equal 44984.2265010191/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 44984.2265010191*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 44984.2265010191 Angstroms^3

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

variable temp_converted equal 253.15*${_u_temperature}
variable temp_converted equal 253.15*1
variable Tdamp_converted equal 0.1*${_u_time}
variable Tdamp_converted equal 0.1*1
variable press_converted equal 0.0*${_u_pressure}
variable press_converted equal 0.0*1
variable Pdamp_converted equal 1*${_u_time}
variable Pdamp_converted equal 1*1

# create initial velocities consistent with the chosen temperature
velocity      all create ${temp_converted} 17 mom yes rot yes
velocity      all create 253.15 17 mom yes rot yes

# set NPT ensemble for all atoms
fix           ensemble all npt temp ${temp_converted} ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 253.15 253.15 0.1               iso 0 0 1

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

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

# set error bounds for temperature and pressure in original metal units (K and bar)
variable      T_low equal  "253.15 - 0.2"
variable      T_up  equal  "253.15 + 0.2"
variable      P_low equal  "0.0 - 0.2"
variable      P_up  equal  "0.0 + 0.2"

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

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

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

Your simulation uses code contributions which should be cited:

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

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

- OpenKIM potential: https://openkim.org/cite/MO_856956178669_001#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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 9.506 | 9.506 | 9.506 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -58698.255   -58698.255       -58960       -58960       253.15       253.15    44984.227    44984.227    6214.8211    6214.8211 
    1000    -58413.98    -58413.98   -58673.076   -58673.076    250.58857    250.58857    45267.945    45267.945   -1354.3588   -1354.3588 
Loop time of 298.099 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.290 ns/day, 82.805 hours/ns, 3.355 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 296.34     | 296.34     | 296.34     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28621    | 0.28621    | 0.28621    |   0.0 |  0.10
Output  | 0.00027768 | 0.00027768 | 0.00027768 |   0.0 |  0.00
Modify  | 1.3028     | 1.3028     | 1.3028     |   0.0 |  0.44
Other   |            | 0.1659     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:      976000.0 ave      976000 max      976000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 976000
Ave neighs/atom = 122.00000
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000    -58413.98    -58413.98   -58673.076   -58673.076    250.58857    250.58857    45267.945    45267.945   -1354.3588   -1354.3588 
    2000    -58440.74    -58440.74   -58694.815   -58694.815    245.73169    245.73169    45245.981    45245.981    -808.9249    -808.9249 
Loop time of 302.684 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.285 ns/day, 84.079 hours/ns, 3.304 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 300.95     | 300.95     | 300.95     |   0.0 | 99.43
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28549    | 0.28549    | 0.28549    |   0.0 |  0.09
Output  | 0.00026301 | 0.00026301 | 0.00026301 |   0.0 |  0.00
Modify  | 1.2868     | 1.2868     | 1.2868     |   0.0 |  0.43
Other   |            | 0.1645     |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01260e+06 ave  1.0126e+06 max  1.0126e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1012600
Ave neighs/atom = 126.57500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000    -58440.74    -58440.74   -58694.815   -58694.815    245.73169    245.73169    45245.981    45245.981    -808.9249    -808.9249 
    3000   -58429.814   -58429.814   -58691.632   -58691.632    253.22096    253.22096    45228.841    45228.841     1279.363     1279.363 
Loop time of 302.35 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.286 ns/day, 83.986 hours/ns, 3.307 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 300.62     | 300.62     | 300.62     |   0.0 | 99.43
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28155    | 0.28155    | 0.28155    |   0.0 |  0.09
Output  | 0.00032055 | 0.00032055 | 0.00032055 |   0.0 |  0.00
Modify  | 1.2844     | 1.2844     | 1.2844     |   0.0 |  0.42
Other   |            | 0.1653     |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01208e+06 ave 1.01208e+06 max 1.01208e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1012084
Ave neighs/atom = 126.51050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -58429.814   -58429.814   -58691.632   -58691.632    253.22096    253.22096    45228.841    45228.841     1279.363     1279.363 
    4000   -58431.821   -58431.821   -58697.407   -58697.407     256.8653     256.8653    45244.472    45244.472   -673.74642   -673.74642 
Loop time of 302.317 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.286 ns/day, 83.977 hours/ns, 3.308 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 300.59     | 300.59     | 300.59     |   0.0 | 99.43
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28233    | 0.28233    | 0.28233    |   0.0 |  0.09
Output  | 0.00026305 | 0.00026305 | 0.00026305 |   0.0 |  0.00
Modify  | 1.2835     | 1.2835     | 1.2835     |   0.0 |  0.42
Other   |            | 0.1642     |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01266e+06 ave 1.01266e+06 max 1.01266e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1012656
Ave neighs/atom = 126.58200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -58431.821   -58431.821   -58697.407   -58697.407     256.8653     256.8653    45244.472    45244.472   -673.74642   -673.74642 
    5000   -58436.266   -58436.266   -58695.165   -58695.165    250.39738    250.39738    45254.697    45254.697    -1636.893    -1636.893 
Loop time of 302.055 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.286 ns/day, 83.904 hours/ns, 3.311 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 300.32     | 300.32     | 300.32     |   0.0 | 99.43
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28203    | 0.28203    | 0.28203    |   0.0 |  0.09
Output  | 0.00022734 | 0.00022734 | 0.00022734 |   0.0 |  0.00
Modify  | 1.2879     | 1.2879     | 1.2879     |   0.0 |  0.43
Other   |            | 0.1653     |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01185e+06 ave 1.01185e+06 max 1.01185e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1011854
Ave neighs/atom = 126.48175
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.761062626025, Press = -54.1723474719293
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -58436.266   -58436.266   -58695.165   -58695.165    250.39738    250.39738    45254.697    45254.697    -1636.893    -1636.893 
    6000   -58427.707   -58427.707   -58692.575   -58692.575    256.17032    256.17032    45207.705    45207.705    3331.9832    3331.9832 
Loop time of 302.155 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.286 ns/day, 83.932 hours/ns, 3.310 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 300.39     | 300.39     | 300.39     |   0.0 | 99.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28243    | 0.28243    | 0.28243    |   0.0 |  0.09
Output  | 0.00028409 | 0.00028409 | 0.00028409 |   0.0 |  0.00
Modify  | 1.317      | 1.317      | 1.317      |   0.0 |  0.44
Other   |            | 0.1667     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01199e+06 ave 1.01199e+06 max 1.01199e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1011992
Ave neighs/atom = 126.49900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.85475197109, Press = -1.0020504203117
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -58427.707   -58427.707   -58692.575   -58692.575    256.17032    256.17032    45207.705    45207.705    3331.9832    3331.9832 
    7000   -58437.373   -58437.373   -58695.545   -58695.545    249.69481    249.69481    45236.382    45236.382    90.620479    90.620479 
Loop time of 302.657 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.285 ns/day, 84.071 hours/ns, 3.304 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 300.89     | 300.89     | 300.89     |   0.0 | 99.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28218    | 0.28218    | 0.28218    |   0.0 |  0.09
Output  | 0.0002269  | 0.0002269  | 0.0002269  |   0.0 |  0.00
Modify  | 1.3184     | 1.3184     | 1.3184     |   0.0 |  0.44
Other   |            | 0.1654     |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01456e+06 ave 1.01456e+06 max 1.01456e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1014556
Ave neighs/atom = 126.81950
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.010671325268, Press = 53.6424553270612
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -58437.373   -58437.373   -58695.545   -58695.545    249.69481    249.69481    45236.382    45236.382    90.620479    90.620479 
    8000   -58429.487   -58429.487   -58694.631   -58694.631    256.43749    256.43749    45256.048    45256.048   -1592.1902   -1592.1902 
Loop time of 302.268 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.286 ns/day, 83.963 hours/ns, 3.308 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 300.5      | 300.5      | 300.5      |   0.0 | 99.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28196    | 0.28196    | 0.28196    |   0.0 |  0.09
Output  | 0.00022717 | 0.00022717 | 0.00022717 |   0.0 |  0.00
Modify  | 1.319      | 1.319      | 1.319      |   0.0 |  0.44
Other   |            | 0.1656     |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01262e+06 ave 1.01262e+06 max 1.01262e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1012616
Ave neighs/atom = 126.57700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.117494264521, Press = 1.30424316952843
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -58429.487   -58429.487   -58694.631   -58694.631    256.43749    256.43749    45256.048    45256.048   -1592.1902   -1592.1902 
    9000    -58433.67    -58433.67   -58693.077   -58693.077    250.88904    250.88904    45228.884    45228.884    1101.9932    1101.9932 
Loop time of 302.088 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.286 ns/day, 83.913 hours/ns, 3.310 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 300.32     | 300.32     | 300.32     |   0.0 | 99.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28141    | 0.28141    | 0.28141    |   0.0 |  0.09
Output  | 0.00023007 | 0.00023007 | 0.00023007 |   0.0 |  0.00
Modify  | 1.3185     | 1.3185     | 1.3185     |   0.0 |  0.44
Other   |            | 0.1649     |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01140e+06 ave  1.0114e+06 max  1.0114e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1011402
Ave neighs/atom = 126.42525
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.040544829969, Press = 4.96554676505288
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000    -58433.67    -58433.67   -58693.077   -58693.077    250.88904    250.88904    45228.884    45228.884    1101.9932    1101.9932 
   10000   -58435.559   -58435.559    -58697.41    -58697.41    253.25236    253.25236    45239.164    45239.164   -187.19685   -187.19685 
Loop time of 302.423 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.286 ns/day, 84.006 hours/ns, 3.307 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 300.66     | 300.66     | 300.66     |   0.0 | 99.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2827     | 0.2827     | 0.2827     |   0.0 |  0.09
Output  | 0.00022973 | 0.00022973 | 0.00022973 |   0.0 |  0.00
Modify  | 1.3198     | 1.3198     | 1.3198     |   0.0 |  0.44
Other   |            | 0.1645     |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01304e+06 ave 1.01304e+06 max 1.01304e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1013044
Ave neighs/atom = 126.63050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.125933297145, Press = 9.62371725512529
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -58435.559   -58435.559    -58697.41    -58697.41    253.25236    253.25236    45239.164    45239.164   -187.19685   -187.19685 
   11000   -58427.913   -58427.913   -58691.773   -58691.773    255.19523    255.19523    45253.905    45253.905   -1158.3167   -1158.3167 
Loop time of 301.947 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.286 ns/day, 83.874 hours/ns, 3.312 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 300.18     | 300.18     | 300.18     |   0.0 | 99.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28202    | 0.28202    | 0.28202    |   0.0 |  0.09
Output  | 0.00022568 | 0.00022568 | 0.00022568 |   0.0 |  0.00
Modify  | 1.3154     | 1.3154     | 1.3154     |   0.0 |  0.44
Other   |            | 0.165      |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01202e+06 ave 1.01202e+06 max 1.01202e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1012022
Ave neighs/atom = 126.50275
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.108410304341, Press = 0.497101077823974
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -58427.913   -58427.913   -58691.773   -58691.773    255.19523    255.19523    45253.905    45253.905   -1158.3167   -1158.3167 
   12000   -58434.498   -58434.498   -58695.487   -58695.487    252.41862    252.41862    45212.881    45212.881    2451.4377    2451.4377 
Loop time of 302.191 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.286 ns/day, 83.942 hours/ns, 3.309 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 300.43     | 300.43     | 300.43     |   0.0 | 99.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28112    | 0.28112    | 0.28112    |   0.0 |  0.09
Output  | 0.00023149 | 0.00023149 | 0.00023149 |   0.0 |  0.00
Modify  | 1.3188     | 1.3188     | 1.3188     |   0.0 |  0.44
Other   |            | 0.1655     |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01176e+06 ave 1.01176e+06 max 1.01176e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1011762
Ave neighs/atom = 126.47025
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.225233568523, Press = 2.34344226509663
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -58434.498   -58434.498   -58695.487   -58695.487    252.41862    252.41862    45212.881    45212.881    2451.4377    2451.4377 
   13000   -58434.281   -58434.281   -58695.642   -58695.642    252.77927    252.77927    45244.052    45244.052   -605.09579   -605.09579 
Loop time of 302.696 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.285 ns/day, 84.082 hours/ns, 3.304 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 300.93     | 300.93     | 300.93     |   0.0 | 99.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28249    | 0.28249    | 0.28249    |   0.0 |  0.09
Output  | 0.00028433 | 0.00028433 | 0.00028433 |   0.0 |  0.00
Modify  | 1.3161     | 1.3161     | 1.3161     |   0.0 |  0.43
Other   |            | 0.1648     |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01378e+06 ave 1.01378e+06 max 1.01378e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1013780
Ave neighs/atom = 126.72250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.299138534812, Press = 11.3912830083552
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -58434.281   -58434.281   -58695.642   -58695.642    252.77927    252.77927    45244.052    45244.052   -605.09579   -605.09579 
   14000   -58431.342   -58431.342   -58694.179   -58694.179    254.20546    254.20546    45265.648    45265.648   -2513.0956   -2513.0956 
Loop time of 301.998 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.286 ns/day, 83.888 hours/ns, 3.311 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 300.24     | 300.24     | 300.24     |   0.0 | 99.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28254    | 0.28254    | 0.28254    |   0.0 |  0.09
Output  | 0.00022885 | 0.00022885 | 0.00022885 |   0.0 |  0.00
Modify  | 1.3141     | 1.3141     | 1.3141     |   0.0 |  0.44
Other   |            | 0.1653     |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01185e+06 ave 1.01185e+06 max 1.01185e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1011848
Ave neighs/atom = 126.48100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.273805242763, Press = -2.03728346865952
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -58431.342   -58431.342   -58694.179   -58694.179    254.20546    254.20546    45265.648    45265.648   -2513.0956   -2513.0956 
   15000   -58435.027   -58435.027   -58696.842   -58696.842    253.21817    253.21817    45212.583    45212.583    2432.9798    2432.9798 
Loop time of 301.964 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.286 ns/day, 83.879 hours/ns, 3.312 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 300.2      | 300.2      | 300.2      |   0.0 | 99.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28168    | 0.28168    | 0.28168    |   0.0 |  0.09
Output  | 0.00056913 | 0.00056913 | 0.00056913 |   0.0 |  0.00
Modify  | 1.3161     | 1.3161     | 1.3161     |   0.0 |  0.44
Other   |            | 0.1652     |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01099e+06 ave 1.01099e+06 max 1.01099e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1010994
Ave neighs/atom = 126.37425
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.258188884829, Press = 0.678956082208263
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -58435.027   -58435.027   -58696.842   -58696.842    253.21817    253.21817    45212.583    45212.583    2432.9798    2432.9798 
   16000   -58432.338   -58432.338   -58691.828   -58691.828    250.96863    250.96863    45241.419    45241.419    -115.4123    -115.4123 
Loop time of 302.448 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.286 ns/day, 84.013 hours/ns, 3.306 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 300.69     | 300.69     | 300.69     |   0.0 | 99.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2804     | 0.2804     | 0.2804     |   0.0 |  0.09
Output  | 0.000227   | 0.000227   | 0.000227   |   0.0 |  0.00
Modify  | 1.3162     | 1.3162     | 1.3162     |   0.0 |  0.44
Other   |            | 0.1643     |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01357e+06 ave 1.01357e+06 max 1.01357e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1013566
Ave neighs/atom = 126.69575
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.355130455833, Press = 7.16619228844623
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -58432.338   -58432.338   -58691.828   -58691.828    250.96863    250.96863    45241.419    45241.419    -115.4123    -115.4123 
   17000    -58429.05    -58429.05    -58697.42    -58697.42    259.55741    259.55741     45260.63     45260.63    -2155.604    -2155.604 
Loop time of 302.319 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.286 ns/day, 83.977 hours/ns, 3.308 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 300.55     | 300.55     | 300.55     |   0.0 | 99.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28024    | 0.28024    | 0.28024    |   0.0 |  0.09
Output  | 0.00022566 | 0.00022566 | 0.00022566 |   0.0 |  0.00
Modify  | 1.3181     | 1.3181     | 1.3181     |   0.0 |  0.44
Other   |            | 0.166      |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01260e+06 ave  1.0126e+06 max  1.0126e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1012602
Ave neighs/atom = 126.57525
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.358051625811, Press = -0.760478170937631
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000    -58429.05    -58429.05    -58697.42    -58697.42    259.55741    259.55741     45260.63     45260.63    -2155.604    -2155.604 
   18000   -58431.903   -58431.903   -58695.615   -58695.615    255.05262    255.05262    45210.817    45210.817    2724.8837    2724.8837 
Loop time of 301.838 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.286 ns/day, 83.844 hours/ns, 3.313 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 300.08     | 300.08     | 300.08     |   0.0 | 99.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28072    | 0.28072    | 0.28072    |   0.0 |  0.09
Output  | 0.00023072 | 0.00023072 | 0.00023072 |   0.0 |  0.00
Modify  | 1.3157     | 1.3157     | 1.3157     |   0.0 |  0.44
Other   |            | 0.1656     |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01120e+06 ave  1.0112e+06 max  1.0112e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1011200
Ave neighs/atom = 126.40000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.450027188302, Press = 0.736794361971997
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -58431.903   -58431.903   -58695.615   -58695.615    255.05262    255.05262    45210.817    45210.817    2724.8837    2724.8837 
   19000   -58430.703   -58430.703   -58693.849   -58693.849    254.50469    254.50469    45246.646    45246.646   -673.86275   -673.86275 
Loop time of 302.173 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.286 ns/day, 83.937 hours/ns, 3.309 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 300.4      | 300.4      | 300.4      |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28294    | 0.28294    | 0.28294    |   0.0 |  0.09
Output  | 0.000231   | 0.000231   | 0.000231   |   0.0 |  0.00
Modify  | 1.3219     | 1.3219     | 1.3219     |   0.0 |  0.44
Other   |            | 0.1649     |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01400e+06 ave   1.014e+06 max   1.014e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1014004
Ave neighs/atom = 126.75050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.462289572063, Press = 8.50577975441587
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -58430.703   -58430.703   -58693.849   -58693.849    254.50469    254.50469    45246.646    45246.646   -673.86275   -673.86275 
   20000   -58435.998   -58435.998   -58695.552   -58695.552    251.03042    251.03042    45260.204    45260.204   -2166.0073   -2166.0073 
Loop time of 301.72 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.286 ns/day, 83.811 hours/ns, 3.314 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 299.95     | 299.95     | 299.95     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28378    | 0.28378    | 0.28378    |   0.0 |  0.09
Output  | 0.00023197 | 0.00023197 | 0.00023197 |   0.0 |  0.00
Modify  | 1.3225     | 1.3225     | 1.3225     |   0.0 |  0.44
Other   |            | 0.1646     |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01206e+06 ave 1.01206e+06 max 1.01206e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1012064
Ave neighs/atom = 126.50800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.468937333402, Press = -1.05921772991529
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -58435.998   -58435.998   -58695.552   -58695.552    251.03042    251.03042    45260.204    45260.204   -2166.0073   -2166.0073 
   21000   -58430.304   -58430.304    -58692.22    -58692.22    253.31527    253.31527    45224.355    45224.355     1633.486     1633.486 
Loop time of 301.655 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.286 ns/day, 83.793 hours/ns, 3.315 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 299.89     | 299.89     | 299.89     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28305    | 0.28305    | 0.28305    |   0.0 |  0.09
Output  | 0.00028391 | 0.00028391 | 0.00028391 |   0.0 |  0.00
Modify  | 1.3209     | 1.3209     | 1.3209     |   0.0 |  0.44
Other   |            | 0.1654     |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01121e+06 ave 1.01121e+06 max 1.01121e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1011210
Ave neighs/atom = 126.40125
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.474500048773, Press = 1.42693153941486
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -58430.304   -58430.304    -58692.22    -58692.22    253.31527    253.31527    45224.355    45224.355     1633.486     1633.486 
   22000   -58425.355   -58425.355   -58691.737   -58691.737    257.63518    257.63518    45247.248    45247.248   -488.13042   -488.13042 
Loop time of 302.225 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.286 ns/day, 83.951 hours/ns, 3.309 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 300.45     | 300.45     | 300.45     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2829     | 0.2829     | 0.2829     |   0.0 |  0.09
Output  | 0.00028211 | 0.00028211 | 0.00028211 |   0.0 |  0.00
Modify  | 1.3243     | 1.3243     | 1.3243     |   0.0 |  0.44
Other   |            | 0.1643     |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01378e+06 ave 1.01378e+06 max 1.01378e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1013778
Ave neighs/atom = 126.72225
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.4559121227, Press = 2.91272146491414
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -58425.355   -58425.355   -58691.737   -58691.737    257.63518    257.63518    45247.248    45247.248   -488.13042   -488.13042 
   23000   -58433.724   -58433.724   -58695.375   -58695.375    253.05895    253.05895    45248.144    45248.144   -971.71452   -971.71452 
Loop time of 329.764 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.262 ns/day, 91.601 hours/ns, 3.032 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 327.8      | 327.8      | 327.8      |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.3053     | 0.3053     | 0.3053     |   0.0 |  0.09
Output  | 0.0003128  | 0.0003128  | 0.0003128  |   0.0 |  0.00
Modify  | 1.483      | 1.483      | 1.483      |   0.0 |  0.45
Other   |            | 0.1773     |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01209e+06 ave 1.01209e+06 max 1.01209e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1012086
Ave neighs/atom = 126.51075
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.488478078979, Press = 0.104238757359498
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -58433.724   -58433.724   -58695.375   -58695.375    253.05895    253.05895    45248.144    45248.144   -971.71452   -971.71452 
   24000   -58431.675   -58431.675   -58693.226   -58693.226    252.96237    252.96237     45200.01     45200.01    3916.1368    3916.1368 
Loop time of 303.414 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.285 ns/day, 84.282 hours/ns, 3.296 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 301.62     | 301.62     | 301.62     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2871     | 0.2871     | 0.2871     |   0.0 |  0.09
Output  | 0.00023356 | 0.00023356 | 0.00023356 |   0.0 |  0.00
Modify  | 1.3386     | 1.3386     | 1.3386     |   0.0 |  0.44
Other   |            | 0.167      |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01200e+06 ave   1.012e+06 max   1.012e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1012004
Ave neighs/atom = 126.50050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.477816146125, Press = 0.894878592863128
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -58431.675   -58431.675   -58693.226   -58693.226    252.96237    252.96237     45200.01     45200.01    3916.1368    3916.1368 
   25000   -58439.935   -58439.935   -58697.684   -58697.684     249.2851     249.2851    45246.598    45246.598   -961.20936   -961.20936 
Loop time of 302.87 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.285 ns/day, 84.131 hours/ns, 3.302 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 301.09     | 301.09     | 301.09     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28521    | 0.28521    | 0.28521    |   0.0 |  0.09
Output  | 0.00023091 | 0.00023091 | 0.00023091 |   0.0 |  0.00
Modify  | 1.3274     | 1.3274     | 1.3274     |   0.0 |  0.44
Other   |            | 0.1678     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01506e+06 ave 1.01506e+06 max 1.01506e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1015056
Ave neighs/atom = 126.88200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.419404454021, Press = 5.12642984518896
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -58439.935   -58439.935   -58697.684   -58697.684     249.2851     249.2851    45246.598    45246.598   -961.20936   -961.20936 
   26000   -58434.246   -58434.246   -58697.742   -58697.742    254.84375    254.84375    45254.138    45254.138   -1689.4177   -1689.4177 
Loop time of 302.5 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.286 ns/day, 84.028 hours/ns, 3.306 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 300.72     | 300.72     | 300.72     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2878     | 0.2878     | 0.2878     |   0.0 |  0.10
Output  | 0.00023024 | 0.00023024 | 0.00023024 |   0.0 |  0.00
Modify  | 1.3304     | 1.3304     | 1.3304     |   0.0 |  0.44
Other   |            | 0.167      |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01194e+06 ave 1.01194e+06 max 1.01194e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1011940
Ave neighs/atom = 126.49250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.410440486309, Press = -0.575167876880203
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -58434.246   -58434.246   -58697.742   -58697.742    254.84375    254.84375    45254.138    45254.138   -1689.4177   -1689.4177 
   27000    -58432.42    -58432.42   -58695.609   -58695.609    254.54702    254.54702    45222.207    45222.207    1589.5768    1589.5768 
Loop time of 302.178 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.286 ns/day, 83.938 hours/ns, 3.309 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 300.39     | 300.39     | 300.39     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28802    | 0.28802    | 0.28802    |   0.0 |  0.10
Output  | 0.00023237 | 0.00023237 | 0.00023237 |   0.0 |  0.00
Modify  | 1.3307     | 1.3307     | 1.3307     |   0.0 |  0.44
Other   |            | 0.1666     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01147e+06 ave 1.01147e+06 max 1.01147e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1011474
Ave neighs/atom = 126.43425
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.410398590126, Press = 1.06013891175905
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000    -58432.42    -58432.42   -58695.609   -58695.609    254.54702    254.54702    45222.207    45222.207    1589.5768    1589.5768 
   28000   -58432.781   -58432.781   -58692.451   -58692.451    251.14342    251.14342    45242.552    45242.552   -209.52146   -209.52146 
Loop time of 304.354 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.284 ns/day, 84.543 hours/ns, 3.286 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    | 302.56     | 302.56     | 302.56     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.29057    | 0.29057    | 0.29057    |   0.0 |  0.10
Output  | 0.00028322 | 0.00028322 | 0.00028322 |   0.0 |  0.00
Modify  | 1.3369     | 1.3369     | 1.3369     |   0.0 |  0.44
Other   |            | 0.1694     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01292e+06 ave 1.01292e+06 max 1.01292e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1012920
Ave neighs/atom = 126.61500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.447034646134, Press = 2.58055304941453
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -58432.781   -58432.781   -58692.451   -58692.451    251.14342    251.14342    45242.552    45242.552   -209.52146   -209.52146 
   29000   -58434.889   -58434.889   -58693.445   -58693.445    250.06563    250.06563     45252.96     45252.96   -1315.2986   -1315.2986 
Loop time of 302.563 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.286 ns/day, 84.045 hours/ns, 3.305 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 300.78     | 300.78     | 300.78     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28596    | 0.28596    | 0.28596    |   0.0 |  0.09
Output  | 0.00028327 | 0.00028327 | 0.00028327 |   0.0 |  0.00
Modify  | 1.3313     | 1.3313     | 1.3313     |   0.0 |  0.44
Other   |            | 0.1672     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01195e+06 ave 1.01195e+06 max 1.01195e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1011946
Ave neighs/atom = 126.49325
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.463369176977, Press = -0.31740871375074
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -58434.889   -58434.889   -58693.445   -58693.445    250.06563    250.06563     45252.96     45252.96   -1315.2986   -1315.2986 
   30000   -58429.495   -58429.495   -58692.976   -58692.976    254.82905    254.82905    45197.638    45197.638    4212.1584    4212.1584 
Loop time of 302.134 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.286 ns/day, 83.926 hours/ns, 3.310 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 300.35     | 300.35     | 300.35     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28666    | 0.28666    | 0.28666    |   0.0 |  0.09
Output  | 0.00023091 | 0.00023091 | 0.00023091 |   0.0 |  0.00
Modify  | 1.33       | 1.33       | 1.33       |   0.0 |  0.44
Other   |            | 0.1664     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01201e+06 ave 1.01201e+06 max 1.01201e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1012012
Ave neighs/atom = 126.50150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.480788855505, Press = 0.697316874083493
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -58429.495   -58429.495   -58692.976   -58692.976    254.82905    254.82905    45197.638    45197.638    4212.1584    4212.1584 
   31000     -58434.1     -58434.1   -58694.296   -58694.296    251.65172    251.65172    45250.867    45250.867   -1065.0531   -1065.0531 
Loop time of 302.692 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.285 ns/day, 84.081 hours/ns, 3.304 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 300.91     | 300.91     | 300.91     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28699    | 0.28699    | 0.28699    |   0.0 |  0.09
Output  | 0.0002308  | 0.0002308  | 0.0002308  |   0.0 |  0.00
Modify  | 1.3315     | 1.3315     | 1.3315     |   0.0 |  0.44
Other   |            | 0.1664     |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01479e+06 ave 1.01479e+06 max 1.01479e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1014786
Ave neighs/atom = 126.84825
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.473796033619, Press = 4.11110668733759
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000     -58434.1     -58434.1   -58694.296   -58694.296    251.65172    251.65172    45250.867    45250.867   -1065.0531   -1065.0531 
   32000   -58433.163   -58433.163   -58696.808   -58696.808    254.98754    254.98754    45252.869    45252.869   -1413.4432   -1413.4432 
Loop time of 303.392 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.285 ns/day, 84.276 hours/ns, 3.296 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 301.59     | 301.59     | 301.59     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.29014    | 0.29014    | 0.29014    |   0.0 |  0.10
Output  | 0.00022396 | 0.00022396 | 0.00022396 |   0.0 |  0.00
Modify  | 1.3414     | 1.3414     | 1.3414     |   0.0 |  0.44
Other   |            | 0.1666     |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01169e+06 ave 1.01169e+06 max 1.01169e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1011686
Ave neighs/atom = 126.46075
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.458602730852, Press = -0.156788586450915
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -58433.163   -58433.163   -58696.808   -58696.808    254.98754    254.98754    45252.869    45252.869   -1413.4432   -1413.4432 
   33000   -58435.775   -58435.775   -58695.719   -58695.719    251.40856    251.40856    45224.669    45224.669    1255.0885    1255.0885 
Loop time of 306.796 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.282 ns/day, 85.221 hours/ns, 3.259 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 304.97     | 304.97     | 304.97     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.29461    | 0.29461    | 0.29461    |   0.0 |  0.10
Output  | 0.0002352  | 0.0002352  | 0.0002352  |   0.0 |  0.00
Modify  | 1.3596     | 1.3596     | 1.3596     |   0.0 |  0.44
Other   |            | 0.1676     |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01154e+06 ave 1.01154e+06 max 1.01154e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1011544
Ave neighs/atom = 126.44300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.396613291773, Press = 1.01957352849071
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -58435.775   -58435.775   -58695.719   -58695.719    251.40856    251.40856    45224.669    45224.669    1255.0885    1255.0885 
   34000   -58435.737   -58435.737   -58696.141   -58696.141    251.85303    251.85303    45244.987    45244.987   -637.42154   -637.42154 
Loop time of 308.095 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.280 ns/day, 85.582 hours/ns, 3.246 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 306.26     | 306.26     | 306.26     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.29916    | 0.29916    | 0.29916    |   0.0 |  0.10
Output  | 0.00023333 | 0.00023333 | 0.00023333 |   0.0 |  0.00
Modify  | 1.3647     | 1.3647     | 1.3647     |   0.0 |  0.44
Other   |            | 0.1697     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01308e+06 ave 1.01308e+06 max 1.01308e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1013076
Ave neighs/atom = 126.63450
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.392633044189, Press = 1.96407300532617
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -58435.737   -58435.737   -58696.141   -58696.141    251.85303    251.85303    45244.987    45244.987   -637.42154   -637.42154 
   35000   -58426.463   -58426.463   -58688.613   -58688.613    253.54218    253.54218    45254.418    45254.418   -1003.8567   -1003.8567 
Loop time of 319.939 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.270 ns/day, 88.872 hours/ns, 3.126 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 318.03     | 318.03     | 318.03     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.30187    | 0.30187    | 0.30187    |   0.0 |  0.09
Output  | 0.00023756 | 0.00023756 | 0.00023756 |   0.0 |  0.00
Modify  | 1.4312     | 1.4312     | 1.4312     |   0.0 |  0.45
Other   |            | 0.1742     |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01156e+06 ave 1.01156e+06 max 1.01156e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1011558
Ave neighs/atom = 126.44475
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.416598639573, Press = -0.163095581579496
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -58426.463   -58426.463   -58688.613   -58688.613    253.54218    253.54218    45254.418    45254.418   -1003.8567   -1003.8567 
   36000   -58433.529   -58433.529   -58695.839   -58695.839    253.69672    253.69672    45215.929    45215.929    2198.1816    2198.1816 
Loop time of 334.506 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.258 ns/day, 92.918 hours/ns, 2.989 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 332.49     | 332.49     | 332.49     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.31259    | 0.31259    | 0.31259    |   0.0 |  0.09
Output  | 0.00023569 | 0.00023569 | 0.00023569 |   0.0 |  0.00
Modify  | 1.5174     | 1.5174     | 1.5174     |   0.0 |  0.45
Other   |            | 0.1819     |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01235e+06 ave 1.01235e+06 max 1.01235e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1012350
Ave neighs/atom = 126.54375
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.416874154094, Press = 0.847352172088025
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -58433.529   -58433.529   -58695.839   -58695.839    253.69672    253.69672    45215.929    45215.929    2198.1816    2198.1816 
   37000   -58427.023   -58427.023   -58692.116   -58692.116    256.38853    256.38853    45251.576    45251.576   -908.62281   -908.62281 
Loop time of 305.068 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.283 ns/day, 84.741 hours/ns, 3.278 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 303.25     | 303.25     | 303.25     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.29612    | 0.29612    | 0.29612    |   0.0 |  0.10
Output  | 0.00021728 | 0.00021728 | 0.00021728 |   0.0 |  0.00
Modify  | 1.3535     | 1.3535     | 1.3535     |   0.0 |  0.44
Other   |            | 0.1665     |            |       |  0.05

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01395e+06 ave 1.01395e+06 max 1.01395e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1013950
Ave neighs/atom = 126.74375
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.449184362936, Press = 2.55847400110061
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -58427.023   -58427.023   -58692.116   -58692.116    256.38853    256.38853    45251.576    45251.576   -908.62281   -908.62281 
   38000   -58430.565   -58430.565    -58694.88    -58694.88    255.63531    255.63531    45260.295    45260.295   -1962.4643   -1962.4643 
Loop time of 288.21 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.300 ns/day, 80.058 hours/ns, 3.470 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 286.5      | 286.5      | 286.5      |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27672    | 0.27672    | 0.27672    |   0.0 |  0.10
Output  | 0.00022405 | 0.00022405 | 0.00022405 |   0.0 |  0.00
Modify  | 1.2743     | 1.2743     | 1.2743     |   0.0 |  0.44
Other   |            | 0.1595     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01232e+06 ave 1.01232e+06 max 1.01232e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1012322
Ave neighs/atom = 126.54025
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.438977870457, Press = -0.556287545772071
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -58430.565   -58430.565    -58694.88    -58694.88    255.63531    255.63531    45260.295    45260.295   -1962.4643   -1962.4643 
   39000   -58436.191   -58436.191   -58695.923   -58695.923    251.20285    251.20285    45212.753    45212.753    2458.9218    2458.9218 
Loop time of 289.03 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.299 ns/day, 80.286 hours/ns, 3.460 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 287.31     | 287.31     | 287.31     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2788     | 0.2788     | 0.2788     |   0.0 |  0.10
Output  | 0.00021833 | 0.00021833 | 0.00021833 |   0.0 |  0.00
Modify  | 1.2786     | 1.2786     | 1.2786     |   0.0 |  0.44
Other   |            | 0.1599     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01154e+06 ave 1.01154e+06 max 1.01154e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1011542
Ave neighs/atom = 126.44275
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.446657979948, Press = 0.538973959298174
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -58436.191   -58436.191   -58695.923   -58695.923    251.20285    251.20285    45212.753    45212.753    2458.9218    2458.9218 
   40000   -58428.981   -58428.981   -58690.008   -58690.008    252.45555    252.45555    45247.255    45247.255   -426.54313   -426.54313 
Loop time of 288.676 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.299 ns/day, 80.188 hours/ns, 3.464 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 286.96     | 286.96     | 286.96     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27827    | 0.27827    | 0.27827    |   0.0 |  0.10
Output  | 0.0003548  | 0.0003548  | 0.0003548  |   0.0 |  0.00
Modify  | 1.2793     | 1.2793     | 1.2793     |   0.0 |  0.44
Other   |            | 0.1599     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01364e+06 ave 1.01364e+06 max 1.01364e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1013642
Ave neighs/atom = 126.70525
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.453068112946, Press = 2.23847261708958
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -58428.981   -58428.981   -58690.008   -58690.008    252.45555    252.45555    45247.255    45247.255   -426.54313   -426.54313 
   41000   -58433.865   -58433.865   -58698.257   -58698.257    255.71002    255.71002    45257.167    45257.167   -1952.5013   -1952.5013 
Loop time of 288.37 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.300 ns/day, 80.103 hours/ns, 3.468 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 286.65     | 286.65     | 286.65     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27949    | 0.27949    | 0.27949    |   0.0 |  0.10
Output  | 0.0016516  | 0.0016516  | 0.0016516  |   0.0 |  0.00
Modify  | 1.276      | 1.276      | 1.276      |   0.0 |  0.44
Other   |            | 0.1598     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01223e+06 ave 1.01223e+06 max 1.01223e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1012228
Ave neighs/atom = 126.52850
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.415510677357, Press = -0.347221154489003
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -58433.865   -58433.865   -58698.257   -58698.257    255.71002    255.71002    45257.167    45257.167   -1952.5013   -1952.5013 
   42000   -58437.003   -58437.003   -58697.065   -58697.065    251.52204    251.52204    45213.574    45213.574    2257.8669    2257.8669 
Loop time of 288.093 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.300 ns/day, 80.026 hours/ns, 3.471 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 286.38     | 286.38     | 286.38     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27852    | 0.27852    | 0.27852    |   0.0 |  0.10
Output  | 0.00028278 | 0.00028278 | 0.00028278 |   0.0 |  0.00
Modify  | 1.2792     | 1.2792     | 1.2792     |   0.0 |  0.44
Other   |            | 0.1598     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01097e+06 ave 1.01097e+06 max 1.01097e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1010966
Ave neighs/atom = 126.37075
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.396175970266, Press = 0.645363221256677
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -58437.003   -58437.003   -58697.065   -58697.065    251.52204    251.52204    45213.574    45213.574    2257.8669    2257.8669 
   43000   -58429.611   -58429.611   -58691.809   -58691.809    253.58869    253.58869    45251.472    45251.472   -963.74936   -963.74936 
Loop time of 288.192 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.300 ns/day, 80.053 hours/ns, 3.470 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 286.47     | 286.47     | 286.47     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28047    | 0.28047    | 0.28047    |   0.0 |  0.10
Output  | 0.00021836 | 0.00021836 | 0.00021836 |   0.0 |  0.00
Modify  | 1.2767     | 1.2767     | 1.2767     |   0.0 |  0.44
Other   |            | 0.1601     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01360e+06 ave  1.0136e+06 max  1.0136e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1013596
Ave neighs/atom = 126.69950
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.367903668706, Press = 1.92795928703407
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -58429.611   -58429.611   -58691.809   -58691.809    253.58869    253.58869    45251.472    45251.472   -963.74936   -963.74936 
   44000   -58426.278   -58426.278   -58690.874   -58690.874    255.90824    255.90824    45259.833    45259.833   -1538.7603   -1538.7603 
Loop time of 288.513 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.299 ns/day, 80.143 hours/ns, 3.466 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 286.8      | 286.8      | 286.8      |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27593    | 0.27593    | 0.27593    |   0.0 |  0.10
Output  | 0.00022963 | 0.00022963 | 0.00022963 |   0.0 |  0.00
Modify  | 1.2781     | 1.2781     | 1.2781     |   0.0 |  0.44
Other   |            | 0.1608     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01201e+06 ave 1.01201e+06 max 1.01201e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1012010
Ave neighs/atom = 126.50125
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.365131607938, Press = -0.558542085106788
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -58426.278   -58426.278   -58690.874   -58690.874    255.90824    255.90824    45259.833    45259.833   -1538.7603   -1538.7603 
   45000   -58433.895   -58433.895   -58693.968   -58693.968    251.53316    251.53316    45209.693    45209.693    2899.8098    2899.8098 
Loop time of 288.425 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.300 ns/day, 80.118 hours/ns, 3.467 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 286.71     | 286.71     | 286.71     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27783    | 0.27783    | 0.27783    |   0.0 |  0.10
Output  | 0.00032962 | 0.00032962 | 0.00032962 |   0.0 |  0.00
Modify  | 1.2817     | 1.2817     | 1.2817     |   0.0 |  0.44
Other   |            | 0.1602     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01156e+06 ave 1.01156e+06 max 1.01156e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1011560
Ave neighs/atom = 126.44500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.384118447144, Press = 0.724546640242741
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -58433.895   -58433.895   -58693.968   -58693.968    251.53316    251.53316    45209.693    45209.693    2899.8098    2899.8098 
   46000   -58427.708   -58427.708   -58693.485   -58693.485     257.0497     257.0497    45253.423    45253.423   -1152.4104   -1152.4104 
Loop time of 288.497 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.299 ns/day, 80.138 hours/ns, 3.466 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 286.78     | 286.78     | 286.78     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27771    | 0.27771    | 0.27771    |   0.0 |  0.10
Output  | 0.00021827 | 0.00021827 | 0.00021827 |   0.0 |  0.00
Modify  | 1.2777     | 1.2777     | 1.2777     |   0.0 |  0.44
Other   |            | 0.1601     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01423e+06 ave 1.01423e+06 max 1.01423e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1014226
Ave neighs/atom = 126.77825
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.4060759234, Press = 1.74209321741117
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -58427.708   -58427.708   -58693.485   -58693.485     257.0497     257.0497    45253.423    45253.423   -1152.4104   -1152.4104 
   47000   -58429.141   -58429.141   -58695.529   -58695.529     257.6403     257.6403    45254.384    45254.384   -1423.9402   -1423.9402 
Loop time of 288.079 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.300 ns/day, 80.022 hours/ns, 3.471 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 286.36     | 286.36     | 286.36     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28089    | 0.28089    | 0.28089    |   0.0 |  0.10
Output  | 0.00028483 | 0.00028483 | 0.00028483 |   0.0 |  0.00
Modify  | 1.2763     | 1.2763     | 1.2763     |   0.0 |  0.44
Other   |            | 0.1614     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01167e+06 ave 1.01167e+06 max 1.01167e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1011672
Ave neighs/atom = 126.45900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.402914430934, Press = -0.352153685709154
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -58429.141   -58429.141   -58695.529   -58695.529     257.6403     257.6403    45254.384    45254.384   -1423.9402   -1423.9402 
   48000   -58434.758   -58434.758   -58698.452   -58698.452    255.03532    255.03532    45219.662    45219.662    1666.1361    1666.1361 
Loop time of 287.998 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.300 ns/day, 79.999 hours/ns, 3.472 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 286.28     | 286.28     | 286.28     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27911    | 0.27911    | 0.27911    |   0.0 |  0.10
Output  | 0.00021987 | 0.00021987 | 0.00021987 |   0.0 |  0.00
Modify  | 1.2777     | 1.2777     | 1.2777     |   0.0 |  0.44
Other   |            | 0.1607     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01140e+06 ave  1.0114e+06 max  1.0114e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1011404
Ave neighs/atom = 126.42550
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.374885511259, Press = 0.678483911791241
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -58434.758   -58434.758   -58698.452   -58698.452    255.03532    255.03532    45219.662    45219.662    1666.1361    1666.1361 
   49000   -58435.927   -58435.927   -58696.956   -58696.956    252.45718    252.45718    45244.776    45244.776   -773.97286   -773.97286 
Loop time of 289.063 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.299 ns/day, 80.295 hours/ns, 3.459 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 287.34     | 287.34     | 287.34     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27822    | 0.27822    | 0.27822    |   0.0 |  0.10
Output  | 0.00021489 | 0.00021489 | 0.00021489 |   0.0 |  0.00
Modify  | 1.2798     | 1.2798     | 1.2798     |   0.0 |  0.44
Other   |            | 0.1616     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01346e+06 ave 1.01346e+06 max 1.01346e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1013464
Ave neighs/atom = 126.68300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.36013465202, Press = 1.30805176435158
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -58435.927   -58435.927   -58696.956   -58696.956    252.45718    252.45718    45244.776    45244.776   -773.97286   -773.97286 
   50000   -58428.997   -58428.997   -58691.988   -58691.988    254.35547    254.35547    45254.825    45254.825   -1298.9396   -1298.9396 
Loop time of 288.189 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.300 ns/day, 80.052 hours/ns, 3.470 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 286.47     | 286.47     | 286.47     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27963    | 0.27963    | 0.27963    |   0.0 |  0.10
Output  | 0.00021906 | 0.00021906 | 0.00021906 |   0.0 |  0.00
Modify  | 1.276      | 1.276      | 1.276      |   0.0 |  0.44
Other   |            | 0.1614     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01268e+06 ave 1.01268e+06 max 1.01268e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1012680
Ave neighs/atom = 126.58500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.336039813223, Press = -0.257076520035153
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -58428.997   -58428.997   -58691.988   -58691.988    254.35547    254.35547    45254.825    45254.825   -1298.9396   -1298.9396 
   51000   -58429.282   -58429.282   -58692.667   -58692.667    254.73568    254.73568    45203.582    45203.582     3689.578     3689.578 
Loop time of 288.186 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.300 ns/day, 80.052 hours/ns, 3.470 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 286.47     | 286.47     | 286.47     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27885    | 0.27885    | 0.27885    |   0.0 |  0.10
Output  | 0.00021907 | 0.00021907 | 0.00021907 |   0.0 |  0.00
Modify  | 1.2765     | 1.2765     | 1.2765     |   0.0 |  0.44
Other   |            | 0.1612     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01201e+06 ave 1.01201e+06 max 1.01201e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1012006
Ave neighs/atom = 126.50075
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.33576243306, Press = 0.666709395662621
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -58429.282   -58429.282   -58692.667   -58692.667    254.73568    254.73568    45203.582    45203.582     3689.578     3689.578 
   52000   -58435.293   -58435.293   -58697.018   -58697.018    253.13043    253.13043    45258.036    45258.036   -1977.9973   -1977.9973 
Loop time of 288.908 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.299 ns/day, 80.252 hours/ns, 3.461 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 287.19     | 287.19     | 287.19     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27912    | 0.27912    | 0.27912    |   0.0 |  0.10
Output  | 0.00021777 | 0.00021777 | 0.00021777 |   0.0 |  0.00
Modify  | 1.2789     | 1.2789     | 1.2789     |   0.0 |  0.44
Other   |            | 0.1599     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01504e+06 ave 1.01504e+06 max 1.01504e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1015036
Ave neighs/atom = 126.87950
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.352246342863, Press = 2.36378467110333
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -58435.293   -58435.293   -58697.018   -58697.018    253.13043    253.13043    45258.036    45258.036   -1977.9973   -1977.9973 
   53000    -58433.03    -58433.03   -58697.292   -58697.292    255.58469    255.58469    45249.238    45249.238   -1118.4326   -1118.4326 
Loop time of 288.236 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.300 ns/day, 80.065 hours/ns, 3.469 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 286.52     | 286.52     | 286.52     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27748    | 0.27748    | 0.27748    |   0.0 |  0.10
Output  | 0.00022309 | 0.00022309 | 0.00022309 |   0.0 |  0.00
Modify  | 1.2779     | 1.2779     | 1.2779     |   0.0 |  0.44
Other   |            | 0.1604     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01124e+06 ave 1.01124e+06 max 1.01124e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1011238
Ave neighs/atom = 126.40475
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.366615245764, Press = -0.166116274326824
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000    -58433.03    -58433.03   -58697.292   -58697.292    255.58469    255.58469    45249.238    45249.238   -1118.4326   -1118.4326 
   54000   -58433.158   -58433.158   -58693.773   -58693.773    252.05699    252.05699    45224.841    45224.841    1446.7904    1446.7904 
Loop time of 288.113 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.300 ns/day, 80.031 hours/ns, 3.471 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 286.39     | 286.39     | 286.39     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27637    | 0.27637    | 0.27637    |   0.0 |  0.10
Output  | 0.00021873 | 0.00021873 | 0.00021873 |   0.0 |  0.00
Modify  | 1.2813     | 1.2813     | 1.2813     |   0.0 |  0.44
Other   |            | 0.1609     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01173e+06 ave 1.01173e+06 max 1.01173e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1011734
Ave neighs/atom = 126.46675
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.385091000776, Press = 0.687493485043899
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -58433.158   -58433.158   -58693.773   -58693.773    252.05699    252.05699    45224.841    45224.841    1446.7904    1446.7904 
   55000   -58428.354   -58428.354   -58692.212   -58692.212    255.19352    255.19352     45251.24     45251.24   -924.77047   -924.77047 
Loop time of 288.603 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.299 ns/day, 80.167 hours/ns, 3.465 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 286.89     | 286.89     | 286.89     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27899    | 0.27899    | 0.27899    |   0.0 |  0.10
Output  | 0.00021771 | 0.00021771 | 0.00021771 |   0.0 |  0.00
Modify  | 1.2764     | 1.2764     | 1.2764     |   0.0 |  0.44
Other   |            | 0.1595     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01341e+06 ave 1.01341e+06 max 1.01341e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1013410
Ave neighs/atom = 126.67625
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.393031666147, Press = 1.14813690492397
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -58428.354   -58428.354   -58692.212   -58692.212    255.19352    255.19352     45251.24     45251.24   -924.77047   -924.77047 
   56000   -58436.666   -58436.666    -58697.65    -58697.65    252.41353    252.41353    45250.209    45250.209   -1309.1093   -1309.1093 
Loop time of 288.385 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.300 ns/day, 80.107 hours/ns, 3.468 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 286.67     | 286.67     | 286.67     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27905    | 0.27905    | 0.27905    |   0.0 |  0.10
Output  | 0.00021931 | 0.00021931 | 0.00021931 |   0.0 |  0.00
Modify  | 1.2748     | 1.2748     | 1.2748     |   0.0 |  0.44
Other   |            | 0.1603     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01218e+06 ave 1.01218e+06 max 1.01218e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1012182
Ave neighs/atom = 126.52275
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.390730846333, Press = -0.644790020282418
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -58436.666   -58436.666    -58697.65    -58697.65    252.41353    252.41353    45250.209    45250.209   -1309.1093   -1309.1093 
   57000   -58430.469   -58430.469   -58691.805   -58691.805    252.75393    252.75393    45198.303    45198.303    4177.6414    4177.6414 
Loop time of 288.37 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.300 ns/day, 80.103 hours/ns, 3.468 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 286.65     | 286.65     | 286.65     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2808     | 0.2808     | 0.2808     |   0.0 |  0.10
Output  | 0.00027692 | 0.00027692 | 0.00027692 |   0.0 |  0.00
Modify  | 1.28       | 1.28       | 1.28       |   0.0 |  0.44
Other   |            | 0.1611     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01185e+06 ave 1.01185e+06 max 1.01185e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1011850
Ave neighs/atom = 126.48125
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.372935119927, Press = 0.887366666446323
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -58430.469   -58430.469   -58691.805   -58691.805    252.75393    252.75393    45198.303    45198.303    4177.6414    4177.6414 
   58000   -58442.996   -58442.996   -58700.312   -58700.312    248.86651    248.86651    45257.601    45257.601   -2257.9096   -2257.9096 
Loop time of 288.745 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.299 ns/day, 80.207 hours/ns, 3.463 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 287.03     | 287.03     | 287.03     |   0.0 | 99.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27922    | 0.27922    | 0.27922    |   0.0 |  0.10
Output  | 0.0002729  | 0.0002729  | 0.0002729  |   0.0 |  0.00
Modify  | 1.2762     | 1.2762     | 1.2762     |   0.0 |  0.44
Other   |            | 0.1593     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01461e+06 ave 1.01461e+06 max 1.01461e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1014610
Ave neighs/atom = 126.82625
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.356552991111, Press = 1.81486149222162
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 13 13 13
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.14 | 10.14 | 10.14 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -58442.996   -58442.996   -58700.312   -58700.312    248.86651    248.86651    45257.601    45257.601   -2257.9096   -2257.9096 
   59000   -58430.528   -58430.528   -58693.902   -58693.902    254.72517    254.72517    45248.203    45248.203   -762.85134   -762.85134 
Loop time of 288.194 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.300 ns/day, 80.054 hours/ns, 3.470 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 286.47     | 286.47     | 286.47     |   0.0 | 99.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28023    | 0.28023    | 0.28023    |   0.0 |  0.10
Output  | 0.00021772 | 0.00021772 | 0.00021772 |   0.0 |  0.00
Modify  | 1.2789     | 1.2789     | 1.2789     |   0.0 |  0.44
Other   |            | 0.1612     |            |       |  0.06

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        10629.0 ave       10629 max       10629 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:  1.01086e+06 ave 1.01086e+06 max 1.01086e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1010862
Ave neighs/atom = 126.35775
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T253.15.out"  else  "print 'not_converged'  file output/vol_T253.15.out"
print '${V}'  file output/vol_T253.15.out
45239.6880154167

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0