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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 2.794781357049942*${_u_distance}
variable latticeconst_converted equal 2.794781357049942*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.79478135704994
Lattice spacing in x,y,z = 2.7947814 2.7947814 2.7947814
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 (27.947814 27.947814 27.947814)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 2000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (27.947814 27.947814 27.947814)
  create_atoms CPU = 0.001 seconds

variable mass_converted equal 51.9961*${_u_mass}
variable mass_converted equal 51.9961*1

kim_interactions Cr

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

kim interactions Cr
#=== BEGIN kim interactions ==================================
pair_style kim EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000
pair_coeff * * Cr
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 51.9961

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 21829.4861432565    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 21829.4861432565/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 21829.4861432565/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 21829.4861432565/(1*1*${_u_distance})
variable      V0_metal equal 21829.4861432565/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 21829.4861432565*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 21829.4861432565 Angstroms^3

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

variable temp_converted equal 333.15*${_u_temperature}
variable temp_converted equal 333.15*1
variable Tdamp_converted equal 0.1*${_u_time}
variable Tdamp_converted equal 0.1*1
variable press_converted equal 0.0*${_u_pressure}
variable press_converted equal 0.0*1
variable Pdamp_converted equal 1*${_u_time}
variable Pdamp_converted equal 1*1

# create initial velocities consistent with the chosen temperature
velocity      all create ${temp_converted} 17 mom yes rot yes
velocity      all create 333.15 17 mom yes rot yes

# set NPT ensemble for all atoms
fix           ensemble all npt temp ${temp_converted} ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso 0 0 1

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

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

# set error bounds for temperature and pressure in original metal units (K and bar)
variable      T_low equal  "333.15 - 0.2"
variable      T_up  equal  "333.15 + 0.2"
variable      P_low equal  "0.0 - 0.2"
variable      P_up  equal  "0.0 + 0.2"

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

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

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

Your simulation uses code contributions which should be cited:

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

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

- OpenKIM potential: https://openkim.org/cite/MO_657255834688_000#item-citation

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -8202.9009   -8202.9009   -8288.9838   -8288.9838       333.15       333.15    21829.486    21829.486    4212.0657    4212.0657 
    1000   -8153.3259   -8153.3259   -8237.5576   -8237.5576    325.98514    325.98514    22440.696    22440.696   -2202.7517   -2202.7517 
Loop time of 14.0081 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.168 ns/day, 3.891 hours/ns, 71.387 timesteps/s
98.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.727     | 13.727     | 13.727     |   0.0 | 97.99
Neigh   | 0.043996   | 0.043996   | 0.043996   |   0.0 |  0.31
Comm    | 0.047046   | 0.047046   | 0.047046   |   0.0 |  0.34
Output  | 0.00025793 | 0.00025793 | 0.00025793 |   0.0 |  0.00
Modify  | 0.16087    | 0.16087    | 0.16087    |   0.0 |  1.15
Other   |            | 0.0293     |            |       |  0.21

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5474.00 ave        5474 max        5474 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:      340164.0 ave      340164 max      340164 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 340164
Ave neighs/atom = 170.08200
Neighbor list builds = 2
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -8153.3259   -8153.3259   -8237.5576   -8237.5576    325.98514    325.98514    22440.696    22440.696   -2202.7517   -2202.7517 
    2000   -8164.2116   -8164.2116   -8253.5921   -8253.5921    345.91193    345.91193    22353.255    22353.255    109.41973    109.41973 
Loop time of 13.6164 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.345 ns/day, 3.782 hours/ns, 73.441 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    | 13.391     | 13.391     | 13.391     |   0.0 | 98.34
Neigh   | 0.02088    | 0.02088    | 0.02088    |   0.0 |  0.15
Comm    | 0.042045   | 0.042045   | 0.042045   |   0.0 |  0.31
Output  | 0.00012205 | 0.00012205 | 0.00012205 |   0.0 |  0.00
Modify  | 0.14039    | 0.14039    | 0.14039    |   0.0 |  1.03
Other   |            | 0.02198    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5476.00 ave        5476 max        5476 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:      344946.0 ave      344946 max      344946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 344946
Ave neighs/atom = 172.47300
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -8164.2116   -8164.2116   -8253.5921   -8253.5921    345.91193    345.91193    22353.255    22353.255    109.41973    109.41973 
    3000   -8177.2022   -8177.2022   -8261.7472   -8261.7472    327.19786    327.19786    22317.375    22317.375   -1100.1431   -1100.1431 
Loop time of 13.7098 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.302 ns/day, 3.808 hours/ns, 72.940 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    | 13.484     | 13.484     | 13.484     |   0.0 | 98.35
Neigh   | 0.020789   | 0.020789   | 0.020789   |   0.0 |  0.15
Comm    | 0.042116   | 0.042116   | 0.042116   |   0.0 |  0.31
Output  | 0.00012329 | 0.00012329 | 0.00012329 |   0.0 |  0.00
Modify  | 0.14081    | 0.14081    | 0.14081    |   0.0 |  1.03
Other   |            | 0.0218     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5504.00 ave        5504 max        5504 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:      349206.0 ave      349206 max      349206 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349206
Ave neighs/atom = 174.60300
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -8177.2022   -8177.2022   -8261.7472   -8261.7472    327.19786    327.19786    22317.375    22317.375   -1100.1431   -1100.1431 
    4000    -8170.765    -8170.765   -8257.9423   -8257.9423    337.38503    337.38503     22290.71     22290.71    2329.8117    2329.8117 
Loop time of 13.5158 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.393 ns/day, 3.754 hours/ns, 73.987 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    | 13.312     | 13.312     | 13.312     |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041772   | 0.041772   | 0.041772   |   0.0 |  0.31
Output  | 0.00012272 | 0.00012272 | 0.00012272 |   0.0 |  0.00
Modify  | 0.14055    | 0.14055    | 0.14055    |   0.0 |  1.04
Other   |            | 0.02186    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5517.00 ave        5517 max        5517 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:      348722.0 ave      348722 max      348722 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348722
Ave neighs/atom = 174.36100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000    -8170.765    -8170.765   -8257.9423   -8257.9423    337.38503    337.38503     22290.71     22290.71    2329.8117    2329.8117 
    5000    -8176.543    -8176.543   -8263.0343   -8263.0343    334.73039    334.73039    22311.619    22311.619    -633.7113    -633.7113 
Loop time of 13.5535 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.375 ns/day, 3.765 hours/ns, 73.781 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    | 13.349     | 13.349     | 13.349     |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041426   | 0.041426   | 0.041426   |   0.0 |  0.31
Output  | 6.2337e-05 | 6.2337e-05 | 6.2337e-05 |   0.0 |  0.00
Modify  | 0.14104    | 0.14104    | 0.14104    |   0.0 |  1.04
Other   |            | 0.02183    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5528.00 ave        5528 max        5528 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:      349536.0 ave      349536 max      349536 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349536
Ave neighs/atom = 174.76800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 331.2697014916, Press = -1103.72939804463
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000    -8176.543    -8176.543   -8263.0343   -8263.0343    334.73039    334.73039    22311.619    22311.619    -633.7113    -633.7113 
    6000   -8177.4059   -8177.4059   -8260.4104   -8260.4104    321.23602    321.23602    22322.554    22322.554   -919.57486   -919.57486 
Loop time of 13.5337 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.384 ns/day, 3.759 hours/ns, 73.890 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    | 13.325     | 13.325     | 13.325     |   0.0 | 98.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041495   | 0.041495   | 0.041495   |   0.0 |  0.31
Output  | 6.3313e-05 | 6.3313e-05 | 6.3313e-05 |   0.0 |  0.00
Modify  | 0.14517    | 0.14517    | 0.14517    |   0.0 |  1.07
Other   |            | 0.02171    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5511.00 ave        5511 max        5511 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:      349428.0 ave      349428 max      349428 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349428
Ave neighs/atom = 174.71400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.33530945241, Press = -12.7930665629649
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -8177.4059   -8177.4059   -8260.4104   -8260.4104    321.23602    321.23602    22322.554    22322.554   -919.57486   -919.57486 
    7000   -8174.6574   -8174.6574   -8262.4962   -8262.4962    339.94517    339.94517    22301.286    22301.286    240.31829    240.31829 
Loop time of 13.5383 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.382 ns/day, 3.761 hours/ns, 73.864 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    | 13.33      | 13.33      | 13.33      |   0.0 | 98.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041105   | 0.041105   | 0.041105   |   0.0 |  0.30
Output  | 0.00010138 | 0.00010138 | 0.00010138 |   0.0 |  0.00
Modify  | 0.14549    | 0.14549    | 0.14549    |   0.0 |  1.07
Other   |            | 0.02182    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5493.00 ave        5493 max        5493 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:      349178.0 ave      349178 max      349178 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349178
Ave neighs/atom = 174.58900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.839455123915, Press = -16.2243364806802
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -8174.6574   -8174.6574   -8262.4962   -8262.4962    339.94517    339.94517    22301.286    22301.286    240.31829    240.31829 
    8000   -8174.0985   -8174.0985    -8261.001    -8261.001    336.32137    336.32137     22299.68     22299.68    552.75138    552.75138 
Loop time of 13.5328 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.385 ns/day, 3.759 hours/ns, 73.895 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    | 13.324     | 13.324     | 13.324     |   0.0 | 98.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041455   | 0.041455   | 0.041455   |   0.0 |  0.31
Output  | 6.6201e-05 | 6.6201e-05 | 6.6201e-05 |   0.0 |  0.00
Modify  | 0.14516    | 0.14516    | 0.14516    |   0.0 |  1.07
Other   |            | 0.02168    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5508.00 ave        5508 max        5508 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:      349596.0 ave      349596 max      349596 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349596
Ave neighs/atom = 174.79800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 334.111172530001, Press = -61.7120100865399
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -8174.0985   -8174.0985    -8261.001    -8261.001    336.32137    336.32137     22299.68     22299.68    552.75138    552.75138 
    9000   -8179.0159   -8179.0159   -8263.8236   -8263.8236    328.21445    328.21445    22326.663    22326.663   -2465.2992   -2465.2992 
Loop time of 13.563 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.370 ns/day, 3.767 hours/ns, 73.730 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    | 13.354     | 13.354     | 13.354     |   0.0 | 98.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041533   | 0.041533   | 0.041533   |   0.0 |  0.31
Output  | 8.4172e-05 | 8.4172e-05 | 8.4172e-05 |   0.0 |  0.00
Modify  | 0.14509    | 0.14509    | 0.14509    |   0.0 |  1.07
Other   |            | 0.02179    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5545.00 ave        5545 max        5545 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:      349748.0 ave      349748 max      349748 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349748
Ave neighs/atom = 174.87400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 334.120262742333, Press = -10.2493858769772
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -8179.0159   -8179.0159   -8263.8236   -8263.8236    328.21445    328.21445    22326.663    22326.663   -2465.2992   -2465.2992 
   10000   -8171.9015   -8171.9015   -8258.0815   -8258.0815    333.52556    333.52556    22295.838    22295.838    1759.5162    1759.5162 
Loop time of 13.5099 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.395 ns/day, 3.753 hours/ns, 74.020 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    | 13.301     | 13.301     | 13.301     |   0.0 | 98.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041681   | 0.041681   | 0.041681   |   0.0 |  0.31
Output  | 0.00018291 | 0.00018291 | 0.00018291 |   0.0 |  0.00
Modify  | 0.14494    | 0.14494    | 0.14494    |   0.0 |  1.07
Other   |            | 0.02194    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5514.00 ave        5514 max        5514 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:      349392.0 ave      349392 max      349392 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349392
Ave neighs/atom = 174.69600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 334.2785206604, Press = -10.9836481721652
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -8171.9015   -8171.9015   -8258.0815   -8258.0815    333.52556    333.52556    22295.838    22295.838    1759.5162    1759.5162 
   11000   -8177.8937   -8177.8937   -8262.0072   -8262.0072    325.52806    325.52806    22318.492    22318.492   -1139.3595   -1139.3595 
Loop time of 13.5645 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.370 ns/day, 3.768 hours/ns, 73.722 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    | 13.355     | 13.355     | 13.355     |   0.0 | 98.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041763   | 0.041763   | 0.041763   |   0.0 |  0.31
Output  | 9.855e-05  | 9.855e-05  | 9.855e-05  |   0.0 |  0.00
Modify  | 0.14553    | 0.14553    | 0.14553    |   0.0 |  1.07
Other   |            | 0.02206    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5511.00 ave        5511 max        5511 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:      349874.0 ave      349874 max      349874 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349874
Ave neighs/atom = 174.93700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 334.531240735773, Press = -14.6878266042087
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -8177.8937   -8177.8937   -8262.0072   -8262.0072    325.52806    325.52806    22318.492    22318.492   -1139.3595   -1139.3595 
   12000        -8176        -8176   -8260.5904   -8260.5904    327.37342    327.37342    22300.641    22300.641    706.70758    706.70758 
Loop time of 13.5828 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.361 ns/day, 3.773 hours/ns, 73.623 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    | 13.374     | 13.374     | 13.374     |   0.0 | 98.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041569   | 0.041569   | 0.041569   |   0.0 |  0.31
Output  | 0.00018067 | 0.00018067 | 0.00018067 |   0.0 |  0.00
Modify  | 0.14502    | 0.14502    | 0.14502    |   0.0 |  1.07
Other   |            | 0.02179    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5507.00 ave        5507 max        5507 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:      349346.0 ave      349346 max      349346 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349346
Ave neighs/atom = 174.67300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 334.396345352561, Press = 1.51854693319797
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000        -8176        -8176   -8260.5904   -8260.5904    327.37342    327.37342    22300.641    22300.641    706.70758    706.70758 
   13000   -8178.3416   -8178.3416   -8264.5646   -8264.5646     333.6919     333.6919    22239.618    22239.618    4478.8897    4478.8897 
Loop time of 13.5622 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.371 ns/day, 3.767 hours/ns, 73.734 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    | 13.354     | 13.354     | 13.354     |   0.0 | 98.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041721   | 0.041721   | 0.041721   |   0.0 |  0.31
Output  | 9.0251e-05 | 9.0251e-05 | 9.0251e-05 |   0.0 |  0.00
Modify  | 0.14466    | 0.14466    | 0.14466    |   0.0 |  1.07
Other   |            | 0.02171    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5527.00 ave        5527 max        5527 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:      349492.0 ave      349492 max      349492 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349492
Ave neighs/atom = 174.74600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 334.113922864087, Press = -18.0354783934576
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -8178.3416   -8178.3416   -8264.5646   -8264.5646     333.6919     333.6919    22239.618    22239.618    4478.8897    4478.8897 
   14000   -8172.5192   -8172.5192   -8258.6903   -8258.6903    333.49125    333.49125    22349.429    22349.429   -2561.1969   -2561.1969 
Loop time of 13.5808 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.362 ns/day, 3.772 hours/ns, 73.633 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    | 13.373     | 13.373     | 13.373     |   0.0 | 98.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041754   | 0.041754   | 0.041754   |   0.0 |  0.31
Output  | 8.1758e-05 | 8.1758e-05 | 8.1758e-05 |   0.0 |  0.00
Modify  | 0.14477    | 0.14477    | 0.14477    |   0.0 |  1.07
Other   |            | 0.02161    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5530.00 ave        5530 max        5530 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:      350820.0 ave      350820 max      350820 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350820
Ave neighs/atom = 175.41000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 334.096758988081, Press = -9.86640210270861
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -8172.5192   -8172.5192   -8258.6903   -8258.6903    333.49125    333.49125    22349.429    22349.429   -2561.1969   -2561.1969 
   15000   -8176.0728   -8176.0728   -8262.4871   -8262.4871    334.43256    334.43256     22332.28     22332.28   -2180.1868   -2180.1868 
Loop time of 13.5354 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.383 ns/day, 3.760 hours/ns, 73.880 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    | 13.327     | 13.327     | 13.327     |   0.0 | 98.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041626   | 0.041626   | 0.041626   |   0.0 |  0.31
Output  | 6.4986e-05 | 6.4986e-05 | 6.4986e-05 |   0.0 |  0.00
Modify  | 0.14468    | 0.14468    | 0.14468    |   0.0 |  1.07
Other   |            | 0.02172    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5515.00 ave        5515 max        5515 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:      348888.0 ave      348888 max      348888 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348888
Ave neighs/atom = 174.44400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 334.368785205661, Press = -2.76556373816651
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -8176.0728   -8176.0728   -8262.4871   -8262.4871    334.43256    334.43256     22332.28     22332.28   -2180.1868   -2180.1868 
   16000   -8174.6005   -8174.6005   -8259.2829   -8259.2829    327.72972    327.72972    22297.262    22297.262    1542.5052    1542.5052 
Loop time of 13.5622 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.371 ns/day, 3.767 hours/ns, 73.734 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    | 13.354     | 13.354     | 13.354     |   0.0 | 98.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041872   | 0.041872   | 0.041872   |   0.0 |  0.31
Output  | 9.1546e-05 | 9.1546e-05 | 9.1546e-05 |   0.0 |  0.00
Modify  | 0.14494    | 0.14494    | 0.14494    |   0.0 |  1.07
Other   |            | 0.02163    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5508.00 ave        5508 max        5508 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:      348728.0 ave      348728 max      348728 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348728
Ave neighs/atom = 174.36400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 334.260283975277, Press = 4.44247604446824
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -8174.6005   -8174.6005   -8259.2829   -8259.2829    327.72972    327.72972    22297.262    22297.262    1542.5052    1542.5052 
   17000    -8175.872    -8175.872   -8260.6894   -8260.6894    328.25197    328.25197    22286.007    22286.007    1593.5254    1593.5254 
Loop time of 13.5709 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.367 ns/day, 3.770 hours/ns, 73.687 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    | 13.363     | 13.363     | 13.363     |   0.0 | 98.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04173    | 0.04173    | 0.04173    |   0.0 |  0.31
Output  | 6.3433e-05 | 6.3433e-05 | 6.3433e-05 |   0.0 |  0.00
Modify  | 0.1447     | 0.1447     | 0.1447     |   0.0 |  1.07
Other   |            | 0.02167    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5530.00 ave        5530 max        5530 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:      349724.0 ave      349724 max      349724 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349724
Ave neighs/atom = 174.86200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 334.245522994014, Press = -8.71751381388294
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000    -8175.872    -8175.872   -8260.6894   -8260.6894    328.25197    328.25197    22286.007    22286.007    1593.5254    1593.5254 
   18000   -8174.9691   -8174.9691   -8262.1833   -8262.1833    337.52785    337.52785    22295.523    22295.523    549.33821    549.33821 
Loop time of 13.5661 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.369 ns/day, 3.768 hours/ns, 73.713 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    | 13.358     | 13.358     | 13.358     |   0.0 | 98.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041926   | 0.041926   | 0.041926   |   0.0 |  0.31
Output  | 5.5414e-05 | 5.5414e-05 | 5.5414e-05 |   0.0 |  0.00
Modify  | 0.14467    | 0.14467    | 0.14467    |   0.0 |  1.07
Other   |            | 0.02158    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5501.00 ave        5501 max        5501 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:      350054.0 ave      350054 max      350054 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350054
Ave neighs/atom = 175.02700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 334.018176165919, Press = -5.92018849857312
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -8174.9691   -8174.9691   -8262.1833   -8262.1833    337.52785    337.52785    22295.523    22295.523    549.33821    549.33821 
   19000   -8174.2482   -8174.2482   -8260.9193   -8260.9193    335.42614    335.42614    22330.124    22330.124   -1808.5173   -1808.5173 
Loop time of 13.5749 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.365 ns/day, 3.771 hours/ns, 73.666 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    | 13.367     | 13.367     | 13.367     |   0.0 | 98.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041603   | 0.041603   | 0.041603   |   0.0 |  0.31
Output  | 8.8069e-05 | 8.8069e-05 | 8.8069e-05 |   0.0 |  0.00
Modify  | 0.1448     | 0.1448     | 0.1448     |   0.0 |  1.07
Other   |            | 0.02176    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5528.00 ave        5528 max        5528 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:      349842.0 ave      349842 max      349842 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349842
Ave neighs/atom = 174.92100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 334.161094558384, Press = -7.11139266992606
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -8174.2482   -8174.2482   -8260.9193   -8260.9193    335.42614    335.42614    22330.124    22330.124   -1808.5173   -1808.5173 
   20000   -8174.1037   -8174.1037    -8260.562    -8260.562    334.60279    334.60279    22335.265    22335.265   -1467.6606   -1467.6606 
Loop time of 13.556 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.374 ns/day, 3.766 hours/ns, 73.768 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    | 13.348     | 13.348     | 13.348     |   0.0 | 98.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041723   | 0.041723   | 0.041723   |   0.0 |  0.31
Output  | 6.4368e-05 | 6.4368e-05 | 6.4368e-05 |   0.0 |  0.00
Modify  | 0.14461    | 0.14461    | 0.14461    |   0.0 |  1.07
Other   |            | 0.02167    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5517.00 ave        5517 max        5517 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:      349124.0 ave      349124 max      349124 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349124
Ave neighs/atom = 174.56200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 334.170065367511, Press = 0.106164604512159
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -8174.1037   -8174.1037    -8260.562    -8260.562    334.60279    334.60279    22335.265    22335.265   -1467.6606   -1467.6606 
   21000   -8178.3312   -8178.3312   -8264.7263   -8264.7263    334.35797    334.35797    22254.056    22254.056    3144.0526    3144.0526 
Loop time of 13.5528 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.375 ns/day, 3.765 hours/ns, 73.786 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    | 13.345     | 13.345     | 13.345     |   0.0 | 98.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041754   | 0.041754   | 0.041754   |   0.0 |  0.31
Output  | 6.3663e-05 | 6.3663e-05 | 6.3663e-05 |   0.0 |  0.00
Modify  | 0.14476    | 0.14476    | 0.14476    |   0.0 |  1.07
Other   |            | 0.02164    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5530.00 ave        5530 max        5530 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:      348994.0 ave      348994 max      348994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348994
Ave neighs/atom = 174.49700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 334.106565121405, Press = -2.81985595827563
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -8178.3312   -8178.3312   -8264.7263   -8264.7263    334.35797    334.35797    22254.056    22254.056    3144.0526    3144.0526 
   22000   -8174.7794   -8174.7794   -8261.2705   -8261.2705    334.72952    334.72952    22317.133    22317.133   -591.56102   -591.56102 
Loop time of 13.5667 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.369 ns/day, 3.769 hours/ns, 73.710 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    | 13.358     | 13.358     | 13.358     |   0.0 | 98.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041775   | 0.041775   | 0.041775   |   0.0 |  0.31
Output  | 6.3773e-05 | 6.3773e-05 | 6.3773e-05 |   0.0 |  0.00
Modify  | 0.14477    | 0.14477    | 0.14477    |   0.0 |  1.07
Other   |            | 0.02172    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5545.00 ave        5545 max        5545 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:      350306.0 ave      350306 max      350306 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350306
Ave neighs/atom = 175.15300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.955470679581, Press = -4.59350208834936
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -8174.7794   -8174.7794   -8261.2705   -8261.2705    334.72952    334.72952    22317.133    22317.133   -591.56102   -591.56102 
   23000   -8177.5334   -8177.5334   -8262.6805   -8262.6805    329.52799    329.52799    22312.867    22312.867    -1166.176    -1166.176 
Loop time of 13.5563 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.373 ns/day, 3.766 hours/ns, 73.767 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    | 13.348     | 13.348     | 13.348     |   0.0 | 98.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041946   | 0.041946   | 0.041946   |   0.0 |  0.31
Output  | 9.0977e-05 | 9.0977e-05 | 9.0977e-05 |   0.0 |  0.00
Modify  | 0.14475    | 0.14475    | 0.14475    |   0.0 |  1.07
Other   |            | 0.02171    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5523.00 ave        5523 max        5523 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:      349436.0 ave      349436 max      349436 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349436
Ave neighs/atom = 174.71800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 334.024912602165, Press = -2.2754450321189
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -8177.5334   -8177.5334   -8262.6805   -8262.6805    329.52799    329.52799    22312.867    22312.867    -1166.176    -1166.176 
   24000   -8176.2355   -8176.2355   -8261.1654   -8261.1654    328.68755    328.68755    22294.649    22294.649    974.49097    974.49097 
Loop time of 13.5584 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.372 ns/day, 3.766 hours/ns, 73.755 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    | 13.35      | 13.35      | 13.35      |   0.0 | 98.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041673   | 0.041673   | 0.041673   |   0.0 |  0.31
Output  | 7.4646e-05 | 7.4646e-05 | 7.4646e-05 |   0.0 |  0.00
Modify  | 0.14473    | 0.14473    | 0.14473    |   0.0 |  1.07
Other   |            | 0.02172    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5488.00 ave        5488 max        5488 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:      349690.0 ave      349690 max      349690 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349690
Ave neighs/atom = 174.84500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.968923647628, Press = -2.60854400266933
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -8176.2355   -8176.2355   -8261.1654   -8261.1654    328.68755    328.68755    22294.649    22294.649    974.49097    974.49097 
   25000   -8180.8229   -8180.8229   -8264.9627   -8264.9627    325.62955    325.62955    22288.184    22288.184    41.784966    41.784966 
Loop time of 13.5788 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.363 ns/day, 3.772 hours/ns, 73.644 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    | 13.37      | 13.37      | 13.37      |   0.0 | 98.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04178    | 0.04178    | 0.04178    |   0.0 |  0.31
Output  | 6.352e-05  | 6.352e-05  | 6.352e-05  |   0.0 |  0.00
Modify  | 0.14492    | 0.14492    | 0.14492    |   0.0 |  1.07
Other   |            | 0.02169    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5522.00 ave        5522 max        5522 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:      349898.0 ave      349898 max      349898 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349898
Ave neighs/atom = 174.94900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.73423029192, Press = -6.07600713495506
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -8180.8229   -8180.8229   -8264.9627   -8264.9627    325.62955    325.62955    22288.184    22288.184    41.784966    41.784966 
   26000   -8175.1274   -8175.1274   -8261.0664   -8261.0664    332.59301    332.59301    22334.633    22334.633   -1918.1927   -1918.1927 
Loop time of 13.5786 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.363 ns/day, 3.772 hours/ns, 73.645 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    | 13.37      | 13.37      | 13.37      |   0.0 | 98.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041509   | 0.041509   | 0.041509   |   0.0 |  0.31
Output  | 0.00030777 | 0.00030777 | 0.00030777 |   0.0 |  0.00
Modify  | 0.14477    | 0.14477    | 0.14477    |   0.0 |  1.07
Other   |            | 0.02171    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5534.00 ave        5534 max        5534 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:      350080.0 ave      350080 max      350080 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350080
Ave neighs/atom = 175.04000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.643453824026, Press = -1.27381225349038
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -8175.1274   -8175.1274   -8261.0664   -8261.0664    332.59301    332.59301    22334.633    22334.633   -1918.1927   -1918.1927 
   27000   -8177.2012   -8177.2012   -8263.4299   -8263.4299    333.71399    333.71399    22281.472    22281.472    1143.6549    1143.6549 
Loop time of 13.5433 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.380 ns/day, 3.762 hours/ns, 73.838 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    | 13.335     | 13.335     | 13.335     |   0.0 | 98.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041706   | 0.041706   | 0.041706   |   0.0 |  0.31
Output  | 6.4355e-05 | 6.4355e-05 | 6.4355e-05 |   0.0 |  0.00
Modify  | 0.14475    | 0.14475    | 0.14475    |   0.0 |  1.07
Other   |            | 0.02169    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5544.00 ave        5544 max        5544 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:      349338.0 ave      349338 max      349338 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349338
Ave neighs/atom = 174.66900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.773793949197, Press = -0.790530638170523
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -8177.2012   -8177.2012   -8263.4299   -8263.4299    333.71399    333.71399    22281.472    22281.472    1143.6549    1143.6549 
   28000   -8172.6109   -8172.6109   -8262.6075   -8262.6075    348.29633    348.29633    22301.049    22301.049    179.62896    179.62896 
Loop time of 13.5686 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.368 ns/day, 3.769 hours/ns, 73.700 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    | 13.36      | 13.36      | 13.36      |   0.0 | 98.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041767   | 0.041767   | 0.041767   |   0.0 |  0.31
Output  | 9.2716e-05 | 9.2716e-05 | 9.2716e-05 |   0.0 |  0.00
Modify  | 0.14485    | 0.14485    | 0.14485    |   0.0 |  1.07
Other   |            | 0.02163    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5516.00 ave        5516 max        5516 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:      350030.0 ave      350030 max      350030 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350030
Ave neighs/atom = 175.01500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.78644440166, Press = -4.49437461273117
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -8172.6109   -8172.6109   -8262.6075   -8262.6075    348.29633    348.29633    22301.049    22301.049    179.62896    179.62896 
   29000   -8178.7469   -8178.7469   -8264.1064   -8264.1064    330.35009    330.35009    22307.739    22307.739   -577.62698   -577.62698 
Loop time of 13.5142 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.393 ns/day, 3.754 hours/ns, 73.996 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    | 13.307     | 13.307     | 13.307     |   0.0 | 98.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041543   | 0.041543   | 0.041543   |   0.0 |  0.31
Output  | 6.1856e-05 | 6.1856e-05 | 6.1856e-05 |   0.0 |  0.00
Modify  | 0.14446    | 0.14446    | 0.14446    |   0.0 |  1.07
Other   |            | 0.02157    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5523.00 ave        5523 max        5523 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:      349630.0 ave      349630 max      349630 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349630
Ave neighs/atom = 174.81500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.826568386896, Press = -3.67056463611551
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -8178.7469   -8178.7469   -8264.1064   -8264.1064    330.35009    330.35009    22307.739    22307.739   -577.62698   -577.62698 
   30000   -8175.6896   -8175.6896   -8261.4511   -8261.4511    331.90592    331.90592    22308.981    22308.981   -346.50473   -346.50473 
Loop time of 13.5 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.400 ns/day, 3.750 hours/ns, 74.074 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.296     | 13.296     | 13.296     |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04094    | 0.04094    | 0.04094    |   0.0 |  0.30
Output  | 6.1973e-05 | 6.1973e-05 | 6.1973e-05 |   0.0 |  0.00
Modify  | 0.14114    | 0.14114    | 0.14114    |   0.0 |  1.05
Other   |            | 0.02141    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5519.00 ave        5519 max        5519 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:      349744.0 ave      349744 max      349744 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349744
Ave neighs/atom = 174.87200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.712620504421, Press = -1.84747137239095
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -8175.6896   -8175.6896   -8261.4511   -8261.4511    331.90592    331.90592    22308.981    22308.981   -346.50473   -346.50473 
   31000   -8180.1483   -8180.1483   -8263.8452   -8263.8452    323.91584    323.91584    22289.619    22289.619    714.12886    714.12886 
Loop time of 13.4714 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.414 ns/day, 3.742 hours/ns, 74.231 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    | 13.269     | 13.269     | 13.269     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041056   | 0.041056   | 0.041056   |   0.0 |  0.30
Output  | 5.5157e-05 | 5.5157e-05 | 5.5157e-05 |   0.0 |  0.00
Modify  | 0.14014    | 0.14014    | 0.14014    |   0.0 |  1.04
Other   |            | 0.02145    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5514.00 ave        5514 max        5514 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:      349220.0 ave      349220 max      349220 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349220
Ave neighs/atom = 174.61000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.650987491368, Press = 1.61719978991451
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -8180.1483   -8180.1483   -8263.8452   -8263.8452    323.91584    323.91584    22289.619    22289.619    714.12886    714.12886 
   32000   -8173.6396   -8173.6396   -8262.3186   -8262.3186    343.19695    343.19695    22280.424    22280.424    2255.1027    2255.1027 
Loop time of 13.512 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.394 ns/day, 3.753 hours/ns, 74.008 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    | 13.309     | 13.309     | 13.309     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040742   | 0.040742   | 0.040742   |   0.0 |  0.30
Output  | 8.2166e-05 | 8.2166e-05 | 8.2166e-05 |   0.0 |  0.00
Modify  | 0.14034    | 0.14034    | 0.14034    |   0.0 |  1.04
Other   |            | 0.02155    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5521.00 ave        5521 max        5521 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:      350022.0 ave      350022 max      350022 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350022
Ave neighs/atom = 175.01100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.569690383827, Press = -3.15577010192279
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -8173.6396   -8173.6396   -8262.3186   -8262.3186    343.19695    343.19695    22280.424    22280.424    2255.1027    2255.1027 
   33000   -8179.0453   -8179.0453   -8265.1011   -8265.1011    333.04512    333.04512    22327.918    22327.918   -2961.5188   -2961.5188 
Loop time of 13.5045 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.398 ns/day, 3.751 hours/ns, 74.049 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    | 13.302     | 13.302     | 13.302     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040666   | 0.040666   | 0.040666   |   0.0 |  0.30
Output  | 5.6333e-05 | 5.6333e-05 | 5.6333e-05 |   0.0 |  0.00
Modify  | 0.14011    | 0.14011    | 0.14011    |   0.0 |  1.04
Other   |            | 0.02157    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5518.00 ave        5518 max        5518 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:      350072.0 ave      350072 max      350072 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350072
Ave neighs/atom = 175.03600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.567881487034, Press = -2.16661888464922
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -8179.0453   -8179.0453   -8265.1011   -8265.1011    333.04512    333.04512    22327.918    22327.918   -2961.5188   -2961.5188 
   34000   -8177.2448   -8177.2448   -8264.1783   -8264.1783    336.44183    336.44183    22298.221    22298.221    57.208581    57.208581 
Loop time of 13.4893 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.405 ns/day, 3.747 hours/ns, 74.133 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    | 13.287     | 13.287     | 13.287     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040603   | 0.040603   | 0.040603   |   0.0 |  0.30
Output  | 4.3404e-05 | 4.3404e-05 | 4.3404e-05 |   0.0 |  0.00
Modify  | 0.14042    | 0.14042    | 0.14042    |   0.0 |  1.04
Other   |            | 0.02142    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5501.00 ave        5501 max        5501 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:      349366.0 ave      349366 max      349366 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349366
Ave neighs/atom = 174.68300
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 = 333.574685565879, Press = -1.27987005420146
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -8177.2448   -8177.2448   -8264.1783   -8264.1783    336.44183    336.44183    22298.221    22298.221    57.208581    57.208581 
   35000   -8170.9933   -8170.9933   -8259.0858   -8259.0858    340.92729    340.92729    22318.505    22318.505    340.87878    340.87878 
Loop time of 13.4922 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.404 ns/day, 3.748 hours/ns, 74.117 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    | 13.29      | 13.29      | 13.29      |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040718   | 0.040718   | 0.040718   |   0.0 |  0.30
Output  | 6.2585e-05 | 6.2585e-05 | 6.2585e-05 |   0.0 |  0.00
Modify  | 0.14014    | 0.14014    | 0.14014    |   0.0 |  1.04
Other   |            | 0.02151    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5516.00 ave        5516 max        5516 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:      349714.0 ave      349714 max      349714 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349714
Ave neighs/atom = 174.85700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.604258343012, Press = -1.68388599319188
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -8170.9933   -8170.9933   -8259.0858   -8259.0858    340.92729    340.92729    22318.505    22318.505    340.87878    340.87878 
   36000   -8176.5835   -8176.5835   -8264.0829   -8264.0829    338.63194    338.63194     22295.05     22295.05    337.57348    337.57348 
Loop time of 13.4757 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.412 ns/day, 3.743 hours/ns, 74.208 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    | 13.273     | 13.273     | 13.273     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040868   | 0.040868   | 0.040868   |   0.0 |  0.30
Output  | 5.7619e-05 | 5.7619e-05 | 5.7619e-05 |   0.0 |  0.00
Modify  | 0.14013    | 0.14013    | 0.14013    |   0.0 |  1.04
Other   |            | 0.02147    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5505.00 ave        5505 max        5505 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:      349330.0 ave      349330 max      349330 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349330
Ave neighs/atom = 174.66500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.657624113115, Press = -1.4418028371046
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -8176.5835   -8176.5835   -8264.0829   -8264.0829    338.63194    338.63194     22295.05     22295.05    337.57348    337.57348 
   37000   -8174.6525   -8174.6525   -8260.2723   -8260.2723    331.35732    331.35732    22306.651    22306.651    294.40563    294.40563 
Loop time of 13.5041 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.398 ns/day, 3.751 hours/ns, 74.051 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    | 13.301     | 13.301     | 13.301     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040767   | 0.040767   | 0.040767   |   0.0 |  0.30
Output  | 7.9193e-05 | 7.9193e-05 | 7.9193e-05 |   0.0 |  0.00
Modify  | 0.14036    | 0.14036    | 0.14036    |   0.0 |  1.04
Other   |            | 0.02149    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5515.00 ave        5515 max        5515 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:      349732.0 ave      349732 max      349732 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349732
Ave neighs/atom = 174.86600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.724682938755, Press = -5.44043189435467
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -8174.6525   -8174.6525   -8260.2723   -8260.2723    331.35732    331.35732    22306.651    22306.651    294.40563    294.40563 
   38000   -8174.5564   -8174.5564   -8262.2344   -8262.2344    339.32285    339.32285     22354.27     22354.27   -4052.3625   -4052.3625 
Loop time of 13.4737 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.412 ns/day, 3.743 hours/ns, 74.218 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    | 13.271     | 13.271     | 13.271     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040779   | 0.040779   | 0.040779   |   0.0 |  0.30
Output  | 5.9402e-05 | 5.9402e-05 | 5.9402e-05 |   0.0 |  0.00
Modify  | 0.14016    | 0.14016    | 0.14016    |   0.0 |  1.04
Other   |            | 0.0215     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5512.00 ave        5512 max        5512 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:      349454.0 ave      349454 max      349454 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349454
Ave neighs/atom = 174.72700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.673127328951, Press = -2.28838587936493
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -8174.5564   -8174.5564   -8262.2344   -8262.2344    339.32285    339.32285     22354.27     22354.27   -4052.3625   -4052.3625 
   39000   -8178.7752   -8178.7752   -8265.3373   -8265.3373    335.00443    335.00443    22293.175    22293.175    11.969662    11.969662 
Loop time of 13.4861 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.407 ns/day, 3.746 hours/ns, 74.150 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    | 13.283     | 13.283     | 13.283     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040888   | 0.040888   | 0.040888   |   0.0 |  0.30
Output  | 5.8421e-05 | 5.8421e-05 | 5.8421e-05 |   0.0 |  0.00
Modify  | 0.14034    | 0.14034    | 0.14034    |   0.0 |  1.04
Other   |            | 0.02147    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5520.00 ave        5520 max        5520 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:      348700.0 ave      348700 max      348700 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348700
Ave neighs/atom = 174.35000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.604773051596, Press = 0.165124125401328
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -8178.7752   -8178.7752   -8265.3373   -8265.3373    335.00443    335.00443    22293.175    22293.175    11.969662    11.969662 
   40000   -8176.1883   -8176.1883    -8261.786    -8261.786     331.2721     331.2721     22303.68     22303.68    365.40523    365.40523 
Loop time of 13.5066 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.397 ns/day, 3.752 hours/ns, 74.038 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.304     | 13.304     | 13.304     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040792   | 0.040792   | 0.040792   |   0.0 |  0.30
Output  | 5.6709e-05 | 5.6709e-05 | 5.6709e-05 |   0.0 |  0.00
Modify  | 0.14023    | 0.14023    | 0.14023    |   0.0 |  1.04
Other   |            | 0.02152    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5523.00 ave        5523 max        5523 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:      349596.0 ave      349596 max      349596 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349596
Ave neighs/atom = 174.79800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.611535405448, Press = -2.11478084816941
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -8176.1883   -8176.1883    -8261.786    -8261.786     331.2721     331.2721     22303.68     22303.68    365.40523    365.40523 
   41000   -8177.4054   -8177.4054    -8262.771    -8262.771    330.37377    330.37377     22273.08     22273.08    2367.3808    2367.3808 
Loop time of 13.4843 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.407 ns/day, 3.746 hours/ns, 74.161 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.282     | 13.282     | 13.282     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040631   | 0.040631   | 0.040631   |   0.0 |  0.30
Output  | 8.2658e-05 | 8.2658e-05 | 8.2658e-05 |   0.0 |  0.00
Modify  | 0.14029    | 0.14029    | 0.14029    |   0.0 |  1.04
Other   |            | 0.02151    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5527.00 ave        5527 max        5527 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:      349474.0 ave      349474 max      349474 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349474
Ave neighs/atom = 174.73700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.635594869752, Press = -2.21638890364963
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -8177.4054   -8177.4054    -8262.771    -8262.771    330.37377    330.37377     22273.08     22273.08    2367.3808    2367.3808 
   42000   -8175.3512   -8175.3512   -8259.6213   -8259.6213    326.13381    326.13381    22337.562    22337.562   -1713.5713   -1713.5713 
Loop time of 13.4836 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.408 ns/day, 3.745 hours/ns, 74.164 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    | 13.281     | 13.281     | 13.281     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040885   | 0.040885   | 0.040885   |   0.0 |  0.30
Output  | 5.2709e-05 | 5.2709e-05 | 5.2709e-05 |   0.0 |  0.00
Modify  | 0.14007    | 0.14007    | 0.14007    |   0.0 |  1.04
Other   |            | 0.02157    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5563.00 ave        5563 max        5563 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:      350064.0 ave      350064 max      350064 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350064
Ave neighs/atom = 175.03200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.645370765542, Press = -5.3005013898739
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -8175.3512   -8175.3512   -8259.6213   -8259.6213    326.13381    326.13381    22337.562    22337.562   -1713.5713   -1713.5713 
   43000   -8173.2066   -8173.2066   -8259.3981   -8259.3981    333.56991    333.56991     22347.62     22347.62   -2754.4571   -2754.4571 
Loop time of 13.4928 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.403 ns/day, 3.748 hours/ns, 74.113 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    | 13.29      | 13.29      | 13.29      |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040587   | 0.040587   | 0.040587   |   0.0 |  0.30
Output  | 6.0009e-05 | 6.0009e-05 | 6.0009e-05 |   0.0 |  0.00
Modify  | 0.14024    | 0.14024    | 0.14024    |   0.0 |  1.04
Other   |            | 0.02157    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5525.00 ave        5525 max        5525 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:      348988.0 ave      348988 max      348988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348988
Ave neighs/atom = 174.49400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.652386263662, Press = 0.423771222892398
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -8173.2066   -8173.2066   -8259.3981   -8259.3981    333.56991    333.56991     22347.62     22347.62   -2754.4571   -2754.4571 
   44000   -8175.7428   -8175.7428   -8262.8405   -8262.8405    337.07686    337.07686    22268.551    22268.551    2611.9216    2611.9216 
Loop time of 13.461 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.419 ns/day, 3.739 hours/ns, 74.289 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    | 13.258     | 13.258     | 13.258     |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040918   | 0.040918   | 0.040918   |   0.0 |  0.30
Output  | 5.5037e-05 | 5.5037e-05 | 5.5037e-05 |   0.0 |  0.00
Modify  | 0.14039    | 0.14039    | 0.14039    |   0.0 |  1.04
Other   |            | 0.02148    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5513.00 ave        5513 max        5513 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:      349138.0 ave      349138 max      349138 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349138
Ave neighs/atom = 174.56900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.726105480773, Press = -1.00437382235207
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -8175.7428   -8175.7428   -8262.8405   -8262.8405    337.07686    337.07686    22268.551    22268.551    2611.9216    2611.9216 
   45000   -8171.9874   -8171.9874   -8258.6244   -8258.6244    335.29405    335.29405    22313.398    22313.398    465.93756    465.93756 
Loop time of 13.5016 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.399 ns/day, 3.750 hours/ns, 74.066 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    | 13.299     | 13.299     | 13.299     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040671   | 0.040671   | 0.040671   |   0.0 |  0.30
Output  | 5.2292e-05 | 5.2292e-05 | 5.2292e-05 |   0.0 |  0.00
Modify  | 0.14029    | 0.14029    | 0.14029    |   0.0 |  1.04
Other   |            | 0.02153    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5529.00 ave        5529 max        5529 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:      350142.0 ave      350142 max      350142 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350142
Ave neighs/atom = 175.07100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.746853788718, Press = -2.2287505392384
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -8171.9874   -8171.9874   -8258.6244   -8258.6244    335.29405    335.29405    22313.398    22313.398    465.93756    465.93756 
   46000   -8179.4451   -8179.4451   -8264.5273   -8264.5273    329.27717    329.27717    22317.412    22317.412    -1848.424    -1848.424 
Loop time of 13.4865 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.406 ns/day, 3.746 hours/ns, 74.148 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    | 13.284     | 13.284     | 13.284     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040615   | 0.040615   | 0.040615   |   0.0 |  0.30
Output  | 8.3316e-05 | 8.3316e-05 | 8.3316e-05 |   0.0 |  0.00
Modify  | 0.14031    | 0.14031    | 0.14031    |   0.0 |  1.04
Other   |            | 0.0216     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5534.00 ave        5534 max        5534 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:      349230.0 ave      349230 max      349230 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349230
Ave neighs/atom = 174.61500
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 = 333.758938253258, Press = -1.06048217017926
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -8179.4451   -8179.4451   -8264.5273   -8264.5273    329.27717    329.27717    22317.412    22317.412    -1848.424    -1848.424 
   47000   -8175.7694   -8175.7694   -8261.9225   -8261.9225    333.42172    333.42172    22260.424    22260.424    3570.4756    3570.4756 
Loop time of 13.4758 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.411 ns/day, 3.743 hours/ns, 74.207 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    | 13.274     | 13.274     | 13.274     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040498   | 0.040498   | 0.040498   |   0.0 |  0.30
Output  | 5.8818e-05 | 5.8818e-05 | 5.8818e-05 |   0.0 |  0.00
Modify  | 0.14022    | 0.14022    | 0.14022    |   0.0 |  1.04
Other   |            | 0.0215     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5509.00 ave        5509 max        5509 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:      349444.0 ave      349444 max      349444 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349444
Ave neighs/atom = 174.72200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.71045542439, Press = -1.41835664735843
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -8175.7694   -8175.7694   -8261.9225   -8261.9225    333.42172    333.42172    22260.424    22260.424    3570.4756    3570.4756 
   48000   -8175.6271   -8175.6271   -8264.0128   -8264.0128    342.06188    342.06188    22300.234    22300.234   -422.08851   -422.08851 
Loop time of 13.4948 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.402 ns/day, 3.749 hours/ns, 74.103 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    | 13.292     | 13.292     | 13.292     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040578   | 0.040578   | 0.040578   |   0.0 |  0.30
Output  | 5.9456e-05 | 5.9456e-05 | 5.9456e-05 |   0.0 |  0.00
Modify  | 0.14033    | 0.14033    | 0.14033    |   0.0 |  1.04
Other   |            | 0.02147    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5489.00 ave        5489 max        5489 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:      350178.0 ave      350178 max      350178 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350178
Ave neighs/atom = 175.08900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.683220352052, Press = -4.07152783996954
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -8175.6271   -8175.6271   -8264.0128   -8264.0128    342.06188    342.06188    22300.234    22300.234   -422.08851   -422.08851 
   49000   -8176.6888   -8176.6888   -8260.5007   -8260.5007    324.36066    324.36066    22314.798    22314.798   -455.99058   -455.99058 
Loop time of 13.4805 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.409 ns/day, 3.745 hours/ns, 74.181 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    | 13.278     | 13.278     | 13.278     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041001   | 0.041001   | 0.041001   |   0.0 |  0.30
Output  | 5.138e-05  | 5.138e-05  | 5.138e-05  |   0.0 |  0.00
Modify  | 0.14018    | 0.14018    | 0.14018    |   0.0 |  1.04
Other   |            | 0.02153    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5522.00 ave        5522 max        5522 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:      349616.0 ave      349616 max      349616 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349616
Ave neighs/atom = 174.80800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.684651374858, Press = -1.56932542641738
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -8176.6888   -8176.6888   -8260.5007   -8260.5007    324.36066    324.36066    22314.798    22314.798   -455.99058   -455.99058 
   50000   -8173.8992   -8173.8992   -8260.7242   -8260.7242    336.02194    336.02194    22300.111    22300.111    511.75396    511.75396 
Loop time of 13.4935 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.403 ns/day, 3.748 hours/ns, 74.110 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    | 13.291     | 13.291     | 13.291     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040779   | 0.040779   | 0.040779   |   0.0 |  0.30
Output  | 7.859e-05  | 7.859e-05  | 7.859e-05  |   0.0 |  0.00
Modify  | 0.14027    | 0.14027    | 0.14027    |   0.0 |  1.04
Other   |            | 0.02153    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5521.00 ave        5521 max        5521 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:      349708.0 ave      349708 max      349708 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349708
Ave neighs/atom = 174.85400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.660715711811, Press = -0.276218413257917
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -8173.8992   -8173.8992   -8260.7242   -8260.7242    336.02194    336.02194    22300.111    22300.111    511.75396    511.75396 
   51000   -8179.0774   -8179.0774   -8261.5777   -8261.5777    319.28471    319.28471     22288.15     22288.15     1499.779     1499.779 
Loop time of 13.4811 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.409 ns/day, 3.745 hours/ns, 74.178 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    | 13.279     | 13.279     | 13.279     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040653   | 0.040653   | 0.040653   |   0.0 |  0.30
Output  | 6.2668e-05 | 6.2668e-05 | 6.2668e-05 |   0.0 |  0.00
Modify  | 0.14022    | 0.14022    | 0.14022    |   0.0 |  1.04
Other   |            | 0.02152    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5511.00 ave        5511 max        5511 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:      349740.0 ave      349740 max      349740 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349740
Ave neighs/atom = 174.87000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.619458368251, Press = -3.56976414470281
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -8179.0774   -8179.0774   -8261.5777   -8261.5777    319.28471    319.28471     22288.15     22288.15     1499.779     1499.779 
   52000   -8174.4598   -8174.4598   -8262.1334   -8262.1334    339.30602    339.30602    22364.251    22364.251   -5157.0871   -5157.0871 
Loop time of 13.5124 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.394 ns/day, 3.753 hours/ns, 74.006 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.31      | 13.31      | 13.31      |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040643   | 0.040643   | 0.040643   |   0.0 |  0.30
Output  | 6.1873e-05 | 6.1873e-05 | 6.1873e-05 |   0.0 |  0.00
Modify  | 0.1403     | 0.1403     | 0.1403     |   0.0 |  1.04
Other   |            | 0.02156    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5516.00 ave        5516 max        5516 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:      350242.0 ave      350242 max      350242 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350242
Ave neighs/atom = 175.12100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.554556363232, Press = -1.56405968607178
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -8174.4598   -8174.4598   -8262.1334   -8262.1334    339.30602    339.30602    22364.251    22364.251   -5157.0871   -5157.0871 
   53000   -8181.7618   -8181.7618   -8265.7433   -8265.7433    325.01687    325.01687    22290.917    22290.917   -294.46983   -294.46983 
Loop time of 13.4788 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.410 ns/day, 3.744 hours/ns, 74.191 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    | 13.276     | 13.276     | 13.276     |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040917   | 0.040917   | 0.040917   |   0.0 |  0.30
Output  | 5.891e-05  | 5.891e-05  | 5.891e-05  |   0.0 |  0.00
Modify  | 0.14038    | 0.14038    | 0.14038    |   0.0 |  1.04
Other   |            | 0.02155    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5514.00 ave        5514 max        5514 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:      348684.0 ave      348684 max      348684 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348684
Ave neighs/atom = 174.34200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.522841099585, Press = -1.07982158315534
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -8181.7618   -8181.7618   -8265.7433   -8265.7433    325.01687    325.01687    22290.917    22290.917   -294.46983   -294.46983 
   54000   -8173.6684   -8173.6684    -8260.044    -8260.044    334.28238    334.28238    22316.992    22316.992   -462.57948   -462.57948 
Loop time of 13.5018 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.399 ns/day, 3.751 hours/ns, 74.064 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    | 13.299     | 13.299     | 13.299     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040617   | 0.040617   | 0.040617   |   0.0 |  0.30
Output  | 8.1971e-05 | 8.1971e-05 | 8.1971e-05 |   0.0 |  0.00
Modify  | 0.14021    | 0.14021    | 0.14021    |   0.0 |  1.04
Other   |            | 0.02159    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5512.00 ave        5512 max        5512 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:      349926.0 ave      349926 max      349926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349926
Ave neighs/atom = 174.96300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.467459687032, Press = -1.07811237766203
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -8173.6684   -8173.6684    -8260.044    -8260.044    334.28238    334.28238    22316.992    22316.992   -462.57948   -462.57948 
   55000   -8176.5212   -8176.5212   -8260.4061   -8260.4061    324.64301    324.64301    22324.377    22324.377   -833.59126   -833.59126 
Loop time of 13.5153 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.393 ns/day, 3.754 hours/ns, 73.990 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    | 13.313     | 13.313     | 13.313     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04054    | 0.04054    | 0.04054    |   0.0 |  0.30
Output  | 5.9599e-05 | 5.9599e-05 | 5.9599e-05 |   0.0 |  0.00
Modify  | 0.14038    | 0.14038    | 0.14038    |   0.0 |  1.04
Other   |            | 0.0215     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5500.00 ave        5500 max        5500 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:      349262.0 ave      349262 max      349262 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349262
Ave neighs/atom = 174.63100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.462440937436, Press = -0.584711051427072
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -8176.5212   -8176.5212   -8260.4061   -8260.4061    324.64301    324.64301    22324.377    22324.377   -833.59126   -833.59126 
   56000   -8175.9028   -8175.9028   -8263.8351   -8263.8351    340.30721    340.30721    22286.159    22286.159    1029.3574    1029.3574 
Loop time of 13.4715 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.414 ns/day, 3.742 hours/ns, 74.231 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    | 13.269     | 13.269     | 13.269     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040662   | 0.040662   | 0.040662   |   0.0 |  0.30
Output  | 5.6608e-05 | 5.6608e-05 | 5.6608e-05 |   0.0 |  0.00
Modify  | 0.14016    | 0.14016    | 0.14016    |   0.0 |  1.04
Other   |            | 0.02151    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5526.00 ave        5526 max        5526 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:      349364.0 ave      349364 max      349364 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349364
Ave neighs/atom = 174.68200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.430063112131, Press = -0.504540167013896
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -8175.9028   -8175.9028   -8263.8351   -8263.8351    340.30721    340.30721    22286.159    22286.159    1029.3574    1029.3574 
   57000   -8172.9561   -8172.9561   -8260.4254   -8260.4254    338.51556    338.51556    22288.896    22288.896    1744.0843    1744.0843 
Loop time of 13.5015 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.399 ns/day, 3.750 hours/ns, 74.066 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    | 13.299     | 13.299     | 13.299     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040635   | 0.040635   | 0.040635   |   0.0 |  0.30
Output  | 5.5072e-05 | 5.5072e-05 | 5.5072e-05 |   0.0 |  0.00
Modify  | 0.14009    | 0.14009    | 0.14009    |   0.0 |  1.04
Other   |            | 0.02147    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5538.00 ave        5538 max        5538 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:      350124.0 ave      350124 max      350124 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350124
Ave neighs/atom = 175.06200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.405049564269, Press = -3.0054159103105
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -8172.9561   -8172.9561   -8260.4254   -8260.4254    338.51556    338.51556    22288.896    22288.896    1744.0843    1744.0843 
   58000   -8177.1669   -8177.1669   -8263.6141   -8263.6141    334.55951    334.55951    22345.092    22345.092   -3712.4049   -3712.4049 
Loop time of 13.4814 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.409 ns/day, 3.745 hours/ns, 74.176 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    | 13.279     | 13.279     | 13.279     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040574   | 0.040574   | 0.040574   |   0.0 |  0.30
Output  | 5.5032e-05 | 5.5032e-05 | 5.5032e-05 |   0.0 |  0.00
Modify  | 0.14024    | 0.14024    | 0.14024    |   0.0 |  1.04
Other   |            | 0.0215     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5538.00 ave        5538 max        5538 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:      349442.0 ave      349442 max      349442 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349442
Ave neighs/atom = 174.72100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.366728820402, Press = -2.12009665979898
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -8177.1669   -8177.1669   -8263.6141   -8263.6141    334.55951    334.55951    22345.092    22345.092   -3712.4049   -3712.4049 
   59000   -8178.7425   -8178.7425   -8264.0501   -8264.0501    330.14913    330.14913    22318.375    22318.375   -1812.3033   -1812.3033 
Loop time of 13.4663 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.416 ns/day, 3.741 hours/ns, 74.259 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    | 13.264     | 13.264     | 13.264     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040675   | 0.040675   | 0.040675   |   0.0 |  0.30
Output  | 7.271e-05  | 7.271e-05  | 7.271e-05  |   0.0 |  0.00
Modify  | 0.14013    | 0.14013    | 0.14013    |   0.0 |  1.04
Other   |            | 0.0215     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5516.00 ave        5516 max        5516 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:      349232.0 ave      349232 max      349232 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349232
Ave neighs/atom = 174.61600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.341195056013, Press = -0.847438863549132
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -8178.7425   -8178.7425   -8264.0501   -8264.0501    330.14913    330.14913    22318.375    22318.375   -1812.3033   -1812.3033 
   60000   -8175.4614   -8175.4614   -8261.8864   -8261.8864    334.47378    334.47378    22280.768    22280.768    1823.3802    1823.3802 
Loop time of 13.4958 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.402 ns/day, 3.749 hours/ns, 74.097 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    | 13.294     | 13.294     | 13.294     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040631   | 0.040631   | 0.040631   |   0.0 |  0.30
Output  | 5.4418e-05 | 5.4418e-05 | 5.4418e-05 |   0.0 |  0.00
Modify  | 0.14013    | 0.14013    | 0.14013    |   0.0 |  1.04
Other   |            | 0.02151    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5518.00 ave        5518 max        5518 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:      349378.0 ave      349378 max      349378 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349378
Ave neighs/atom = 174.68900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.342226226936, Press = -0.830559121778526
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000   -8175.4614   -8175.4614   -8261.8864   -8261.8864    334.47378    334.47378    22280.768    22280.768    1823.3802    1823.3802 
   61000   -8176.6861   -8176.6861   -8261.7517   -8261.7517     329.2127     329.2127    22296.979    22296.979    843.60129    843.60129 
Loop time of 13.492 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.404 ns/day, 3.748 hours/ns, 74.118 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    | 13.29      | 13.29      | 13.29      |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040507   | 0.040507   | 0.040507   |   0.0 |  0.30
Output  | 5.2003e-05 | 5.2003e-05 | 5.2003e-05 |   0.0 |  0.00
Modify  | 0.13993    | 0.13993    | 0.13993    |   0.0 |  1.04
Other   |            | 0.02162    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5529.00 ave        5529 max        5529 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:      350172.0 ave      350172 max      350172 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350172
Ave neighs/atom = 175.08600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.283605198599, Press = -2.08442491069067
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -8176.6861   -8176.6861   -8261.7517   -8261.7517     329.2127     329.2127    22296.979    22296.979    843.60129    843.60129 
   62000   -8176.7911   -8176.7911   -8261.8351   -8261.8351      329.129      329.129    22318.994    22318.994   -1244.7198   -1244.7198 
Loop time of 13.4841 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.408 ns/day, 3.746 hours/ns, 74.162 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    | 13.282     | 13.282     | 13.282     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040674   | 0.040674   | 0.040674   |   0.0 |  0.30
Output  | 5.2739e-05 | 5.2739e-05 | 5.2739e-05 |   0.0 |  0.00
Modify  | 0.14019    | 0.14019    | 0.14019    |   0.0 |  1.04
Other   |            | 0.02146    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5528.00 ave        5528 max        5528 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:      349800.0 ave      349800 max      349800 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349800
Ave neighs/atom = 174.90000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.277152462368, Press = -0.485419799996013
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -8176.7911   -8176.7911   -8261.8351   -8261.8351      329.129      329.129    22318.994    22318.994   -1244.7198   -1244.7198 
   63000   -8178.5897   -8178.5897   -8265.0918   -8265.0918    334.77207    334.77207    22266.876    22266.876    1918.7101    1918.7101 
Loop time of 13.467 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.416 ns/day, 3.741 hours/ns, 74.256 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    | 13.265     | 13.265     | 13.265     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040703   | 0.040703   | 0.040703   |   0.0 |  0.30
Output  | 6.7166e-05 | 6.7166e-05 | 6.7166e-05 |   0.0 |  0.00
Modify  | 0.14026    | 0.14026    | 0.14026    |   0.0 |  1.04
Other   |            | 0.02147    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5517.00 ave        5517 max        5517 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:      349448.0 ave      349448 max      349448 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349448
Ave neighs/atom = 174.72400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.214045540863, Press = -0.471054468514444
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -8178.5897   -8178.5897   -8265.0918   -8265.0918    334.77207    334.77207    22266.876    22266.876    1918.7101    1918.7101 
   64000   -8175.5432   -8175.5432   -8261.2131   -8261.2131     331.5513     331.5513    22292.412    22292.412    760.17959    760.17959 
Loop time of 13.5115 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.395 ns/day, 3.753 hours/ns, 74.011 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    | 13.309     | 13.309     | 13.309     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040657   | 0.040657   | 0.040657   |   0.0 |  0.30
Output  | 5.3245e-05 | 5.3245e-05 | 5.3245e-05 |   0.0 |  0.00
Modify  | 0.14024    | 0.14024    | 0.14024    |   0.0 |  1.04
Other   |            | 0.02154    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5526.00 ave        5526 max        5526 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:      350634.0 ave      350634 max      350634 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350634
Ave neighs/atom = 175.31700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.193747654156, Press = -2.77090483298799
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -8175.5432   -8175.5432   -8261.2131   -8261.2131     331.5513     331.5513    22292.412    22292.412    760.17959    760.17959 
   65000   -8172.2643   -8172.2643   -8259.4772   -8259.4772    337.52304    337.52304    22343.852    22343.852   -2163.1015   -2163.1015 
Loop time of 13.4911 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.404 ns/day, 3.748 hours/ns, 74.123 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    | 13.289     | 13.289     | 13.289     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040548   | 0.040548   | 0.040548   |   0.0 |  0.30
Output  | 5.3016e-05 | 5.3016e-05 | 5.3016e-05 |   0.0 |  0.00
Modify  | 0.13991    | 0.13991    | 0.13991    |   0.0 |  1.04
Other   |            | 0.02147    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5506.00 ave        5506 max        5506 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:      349804.0 ave      349804 max      349804 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349804
Ave neighs/atom = 174.90200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.188529153971, Press = -1.78609182723878
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -8172.2643   -8172.2643   -8259.4772   -8259.4772    337.52304    337.52304    22343.852    22343.852   -2163.1015   -2163.1015 
   66000   -8177.3981   -8177.3981   -8261.7617   -8261.7617    326.49601    326.49601    22303.303    22303.303   -66.987883   -66.987883 
Loop time of 13.4706 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.414 ns/day, 3.742 hours/ns, 74.236 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    | 13.268     | 13.268     | 13.268     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040593   | 0.040593   | 0.040593   |   0.0 |  0.30
Output  | 5.53e-05   | 5.53e-05   | 5.53e-05   |   0.0 |  0.00
Modify  | 0.14021    | 0.14021    | 0.14021    |   0.0 |  1.04
Other   |            | 0.02151    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5508.00 ave        5508 max        5508 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:      349320.0 ave      349320 max      349320 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349320
Ave neighs/atom = 174.66000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.229549406224, Press = -0.382355887268917
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000   -8177.3981   -8177.3981   -8261.7617   -8261.7617    326.49601    326.49601    22303.303    22303.303   -66.987883   -66.987883 
   67000   -8178.7823   -8178.7823   -8261.8661   -8261.8661    321.54286    321.54286    22283.318    22283.318    1018.8489    1018.8489 
Loop time of 13.4822 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.408 ns/day, 3.745 hours/ns, 74.172 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    | 13.279     | 13.279     | 13.279     |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041309   | 0.041309   | 0.041309   |   0.0 |  0.31
Output  | 5.3488e-05 | 5.3488e-05 | 5.3488e-05 |   0.0 |  0.00
Modify  | 0.14015    | 0.14015    | 0.14015    |   0.0 |  1.04
Other   |            | 0.02147    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5521.00 ave        5521 max        5521 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:      349642.0 ave      349642 max      349642 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349642
Ave neighs/atom = 174.82100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.236338152814, Press = -2.1574058467137
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000   -8178.7823   -8178.7823   -8261.8661   -8261.8661    321.54286    321.54286    22283.318    22283.318    1018.8489    1018.8489 
   68000   -8176.1174   -8176.1174    -8261.098    -8261.098    328.88372    328.88372      22322.1      22322.1   -1104.6661   -1104.6661 
Loop time of 13.4841 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.408 ns/day, 3.746 hours/ns, 74.161 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.282     | 13.282     | 13.282     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040786   | 0.040786   | 0.040786   |   0.0 |  0.30
Output  | 6.977e-05  | 6.977e-05  | 6.977e-05  |   0.0 |  0.00
Modify  | 0.13993    | 0.13993    | 0.13993    |   0.0 |  1.04
Other   |            | 0.02158    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5554.00 ave        5554 max        5554 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:      349762.0 ave      349762 max      349762 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349762
Ave neighs/atom = 174.88100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.178068504604, Press = -0.812662671537823
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   68000   -8176.1174   -8176.1174    -8261.098    -8261.098    328.88372    328.88372      22322.1      22322.1   -1104.6661   -1104.6661 
   69000   -8176.2247   -8176.2247    -8263.488    -8263.488    337.71787    337.71787    22286.351    22286.351    978.14155    978.14155 
Loop time of 13.4872 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.406 ns/day, 3.746 hours/ns, 74.144 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    | 13.285     | 13.285     | 13.285     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040729   | 0.040729   | 0.040729   |   0.0 |  0.30
Output  | 5.4022e-05 | 5.4022e-05 | 5.4022e-05 |   0.0 |  0.00
Modify  | 0.14033    | 0.14033    | 0.14033    |   0.0 |  1.04
Other   |            | 0.02152    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5521.00 ave        5521 max        5521 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:      349416.0 ave      349416 max      349416 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349416
Ave neighs/atom = 174.70800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.195278939023, Press = -0.500034245241116
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   69000   -8176.2247   -8176.2247    -8263.488    -8263.488    337.71787    337.71787    22286.351    22286.351    978.14155    978.14155 
   70000   -8170.8484   -8170.8484   -8258.8654   -8258.8654    340.63497    340.63497    22302.027    22302.027    1442.5303    1442.5303 
Loop time of 13.4809 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.409 ns/day, 3.745 hours/ns, 74.179 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    | 13.279     | 13.279     | 13.279     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040527   | 0.040527   | 0.040527   |   0.0 |  0.30
Output  | 5.2524e-05 | 5.2524e-05 | 5.2524e-05 |   0.0 |  0.00
Modify  | 0.14016    | 0.14016    | 0.14016    |   0.0 |  1.04
Other   |            | 0.02151    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5511.00 ave        5511 max        5511 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:      350068.0 ave      350068 max      350068 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350068
Ave neighs/atom = 175.03400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.22315774712, Press = -2.08189138564763
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   70000   -8170.8484   -8170.8484   -8258.8654   -8258.8654    340.63497    340.63497    22302.027    22302.027    1442.5303    1442.5303 
   71000   -8175.9805   -8175.9805   -8259.3951   -8259.3951    322.82307    322.82307    22344.694    22344.694   -2507.9126   -2507.9126 
Loop time of 13.4762 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.411 ns/day, 3.743 hours/ns, 74.205 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    | 13.274     | 13.274     | 13.274     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040683   | 0.040683   | 0.040683   |   0.0 |  0.30
Output  | 5.1036e-05 | 5.1036e-05 | 5.1036e-05 |   0.0 |  0.00
Modify  | 0.1402     | 0.1402     | 0.1402     |   0.0 |  1.04
Other   |            | 0.02152    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5507.00 ave        5507 max        5507 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:      349900.0 ave      349900 max      349900 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349900
Ave neighs/atom = 174.95000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.219618909721, Press = -0.971426439718076
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   71000   -8175.9805   -8175.9805   -8259.3951   -8259.3951    322.82307    322.82307    22344.694    22344.694   -2507.9126   -2507.9126 
   72000   -8177.1951   -8177.1951   -8262.1077   -8262.1077    328.62063    328.62063    22305.276    22305.276   -451.12542   -451.12542 
Loop time of 13.466 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.416 ns/day, 3.741 hours/ns, 74.261 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    | 13.263     | 13.263     | 13.263     |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040968   | 0.040968   | 0.040968   |   0.0 |  0.30
Output  | 6.7051e-05 | 6.7051e-05 | 6.7051e-05 |   0.0 |  0.00
Modify  | 0.14017    | 0.14017    | 0.14017    |   0.0 |  1.04
Other   |            | 0.02151    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5528.00 ave        5528 max        5528 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:      349050.0 ave      349050 max      349050 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349050
Ave neighs/atom = 174.52500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.191478527367, Press = -0.468345179185859
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   72000   -8177.1951   -8177.1951   -8262.1077   -8262.1077    328.62063    328.62063    22305.276    22305.276   -451.12542   -451.12542 
   73000   -8172.9703   -8172.9703    -8261.675    -8261.675    343.29615    343.29615    22282.895    22282.895    1699.5604    1699.5604 
Loop time of 13.4799 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.410 ns/day, 3.744 hours/ns, 74.185 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    | 13.277     | 13.277     | 13.277     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040675   | 0.040675   | 0.040675   |   0.0 |  0.30
Output  | 5.4802e-05 | 5.4802e-05 | 5.4802e-05 |   0.0 |  0.00
Modify  | 0.14021    | 0.14021    | 0.14021    |   0.0 |  1.04
Other   |            | 0.02154    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5532.00 ave        5532 max        5532 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:      349918.0 ave      349918 max      349918 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349918
Ave neighs/atom = 174.95900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.165891028097, Press = -1.13624734198871
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   73000   -8172.9703   -8172.9703    -8261.675    -8261.675    343.29615    343.29615    22282.895    22282.895    1699.5604    1699.5604 
   74000    -8174.254    -8174.254    -8260.862    -8260.862    335.18195    335.18195    22346.863    22346.863   -3188.9724   -3188.9724 
Loop time of 13.4987 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.401 ns/day, 3.750 hours/ns, 74.081 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    | 13.296     | 13.296     | 13.296     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040747   | 0.040747   | 0.040747   |   0.0 |  0.30
Output  | 5.2608e-05 | 5.2608e-05 | 5.2608e-05 |   0.0 |  0.00
Modify  | 0.14016    | 0.14016    | 0.14016    |   0.0 |  1.04
Other   |            | 0.02151    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5515.00 ave        5515 max        5515 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:      349860.0 ave      349860 max      349860 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349860
Ave neighs/atom = 174.93000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.195089752915, Press = -2.35478801185155
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   74000    -8174.254    -8174.254    -8260.862    -8260.862    335.18195    335.18195    22346.863    22346.863   -3188.9724   -3188.9724 
   75000   -8174.2106   -8174.2106    -8262.395    -8262.395    341.28293    341.28293    22318.703    22318.703   -1475.8998   -1475.8998 
Loop time of 13.4956 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.402 ns/day, 3.749 hours/ns, 74.098 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    | 13.293     | 13.293     | 13.293     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040731   | 0.040731   | 0.040731   |   0.0 |  0.30
Output  | 5.2604e-05 | 5.2604e-05 | 5.2604e-05 |   0.0 |  0.00
Modify  | 0.14022    | 0.14022    | 0.14022    |   0.0 |  1.04
Other   |            | 0.02145    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5512.00 ave        5512 max        5512 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:      349034.0 ave      349034 max      349034 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349034
Ave neighs/atom = 174.51700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.200450599213, Press = -0.54223735005904
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   75000   -8174.2106   -8174.2106    -8262.395    -8262.395    341.28293    341.28293    22318.703    22318.703   -1475.8998   -1475.8998 
   76000   -8176.6858   -8176.6858   -8262.6325   -8262.6325    332.62287    332.62287    22295.666    22295.666    469.98155    469.98155 
Loop time of 13.4865 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.406 ns/day, 3.746 hours/ns, 74.148 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    | 13.284     | 13.284     | 13.284     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040846   | 0.040846   | 0.040846   |   0.0 |  0.30
Output  | 5.7905e-05 | 5.7905e-05 | 5.7905e-05 |   0.0 |  0.00
Modify  | 0.14027    | 0.14027    | 0.14027    |   0.0 |  1.04
Other   |            | 0.02152    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5513.00 ave        5513 max        5513 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:      349378.0 ave      349378 max      349378 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349378
Ave neighs/atom = 174.68900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.21446602477, Press = -0.402222437071683
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   76000   -8176.6858   -8176.6858   -8262.6325   -8262.6325    332.62287    332.62287    22295.666    22295.666    469.98155    469.98155 
   77000   -8173.9818   -8173.9818   -8263.5964   -8263.5964    346.81772    346.81772    22299.822    22299.822     184.1063     184.1063 
Loop time of 13.5091 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.396 ns/day, 3.753 hours/ns, 74.024 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    | 13.306     | 13.306     | 13.306     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04071    | 0.04071    | 0.04071    |   0.0 |  0.30
Output  | 7.8472e-05 | 7.8472e-05 | 7.8472e-05 |   0.0 |  0.00
Modify  | 0.14045    | 0.14045    | 0.14045    |   0.0 |  1.04
Other   |            | 0.02147    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5506.00 ave        5506 max        5506 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:      350072.0 ave      350072 max      350072 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350072
Ave neighs/atom = 175.03600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.253702329873, Press = -1.36802444772416
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   77000   -8173.9818   -8173.9818   -8263.5964   -8263.5964    346.81772    346.81772    22299.822    22299.822     184.1063     184.1063 
   78000   -8174.8534   -8174.8534   -8259.4785   -8259.4785    327.50786    327.50786    22312.016    22312.016   -216.35194   -216.35194 
Loop time of 13.4944 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.403 ns/day, 3.748 hours/ns, 74.105 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    | 13.292     | 13.292     | 13.292     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040606   | 0.040606   | 0.040606   |   0.0 |  0.30
Output  | 5.2105e-05 | 5.2105e-05 | 5.2105e-05 |   0.0 |  0.00
Modify  | 0.14011    | 0.14011    | 0.14011    |   0.0 |  1.04
Other   |            | 0.02153    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5524.00 ave        5524 max        5524 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:      349820.0 ave      349820 max      349820 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349820
Ave neighs/atom = 174.91000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.266642481079, Press = -1.14874649100309
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   78000   -8174.8534   -8174.8534   -8259.4785   -8259.4785    327.50786    327.50786    22312.016    22312.016   -216.35194   -216.35194 
   79000   -8176.4119   -8176.4119    -8262.902    -8262.902    334.72547    334.72547    22309.343    22309.343   -342.98851   -342.98851 
Loop time of 13.5003 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.400 ns/day, 3.750 hours/ns, 74.072 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    | 13.298     | 13.298     | 13.298     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040819   | 0.040819   | 0.040819   |   0.0 |  0.30
Output  | 6.1144e-05 | 6.1144e-05 | 6.1144e-05 |   0.0 |  0.00
Modify  | 0.14022    | 0.14022    | 0.14022    |   0.0 |  1.04
Other   |            | 0.02161    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5522.00 ave        5522 max        5522 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:      349548.0 ave      349548 max      349548 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349548
Ave neighs/atom = 174.77400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.285704961223, Press = -0.914222958075842
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   79000   -8176.4119   -8176.4119    -8262.902    -8262.902    334.72547    334.72547    22309.343    22309.343   -342.98851   -342.98851 
   80000   -8170.9276   -8170.9276   -8259.4369   -8259.4369    342.54042    342.54042      22311.7      22311.7    287.26888    287.26888 
Loop time of 13.5039 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.398 ns/day, 3.751 hours/ns, 74.053 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.301     | 13.301     | 13.301     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040592   | 0.040592   | 0.040592   |   0.0 |  0.30
Output  | 5.7754e-05 | 5.7754e-05 | 5.7754e-05 |   0.0 |  0.00
Modify  | 0.14032    | 0.14032    | 0.14032    |   0.0 |  1.04
Other   |            | 0.02151    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5522.00 ave        5522 max        5522 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:      349738.0 ave      349738 max      349738 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349738
Ave neighs/atom = 174.86900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.315291717874, Press = -1.20858392901786
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   80000   -8170.9276   -8170.9276   -8259.4369   -8259.4369    342.54042    342.54042      22311.7      22311.7    287.26888    287.26888 
   81000   -8177.1462   -8177.1462    -8263.401    -8263.401     333.8151     333.8151    22270.217    22270.217    1801.2541    1801.2541 
Loop time of 13.4948 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.402 ns/day, 3.749 hours/ns, 74.103 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    | 13.292     | 13.292     | 13.292     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040883   | 0.040883   | 0.040883   |   0.0 |  0.30
Output  | 7.4978e-05 | 7.4978e-05 | 7.4978e-05 |   0.0 |  0.00
Modify  | 0.13996    | 0.13996    | 0.13996    |   0.0 |  1.04
Other   |            | 0.02157    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5526.00 ave        5526 max        5526 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:      349392.0 ave      349392 max      349392 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349392
Ave neighs/atom = 174.69600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.316976114369, Press = -0.999472902417281
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   81000   -8177.1462   -8177.1462    -8263.401    -8263.401     333.8151     333.8151    22270.217    22270.217    1801.2541    1801.2541 
   82000   -8176.1822   -8176.1822   -8260.4343   -8260.4343    326.06424    326.06424    22328.087    22328.087   -1226.0569   -1226.0569 
Loop time of 13.5177 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.392 ns/day, 3.755 hours/ns, 73.977 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    | 13.315     | 13.315     | 13.315     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041069   | 0.041069   | 0.041069   |   0.0 |  0.30
Output  | 5.4563e-05 | 5.4563e-05 | 5.4563e-05 |   0.0 |  0.00
Modify  | 0.14038    | 0.14038    | 0.14038    |   0.0 |  1.04
Other   |            | 0.02156    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5511.00 ave        5511 max        5511 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:      350310.0 ave      350310 max      350310 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350310
Ave neighs/atom = 175.15500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.318699659768, Press = -1.24504771751472
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   82000   -8176.1822   -8176.1822   -8260.4343   -8260.4343    326.06424    326.06424    22328.087    22328.087   -1226.0569   -1226.0569 
   83000   -8174.7974   -8174.7974   -8262.9692   -8262.9692    341.23375    341.23375    22282.316    22282.316    987.61028    987.61028 
Loop time of 13.4948 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.402 ns/day, 3.749 hours/ns, 74.102 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    | 13.292     | 13.292     | 13.292     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040738   | 0.040738   | 0.040738   |   0.0 |  0.30
Output  | 6.0934e-05 | 6.0934e-05 | 6.0934e-05 |   0.0 |  0.00
Modify  | 0.14017    | 0.14017    | 0.14017    |   0.0 |  1.04
Other   |            | 0.02149    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5514.00 ave        5514 max        5514 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:      349146.0 ave      349146 max      349146 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349146
Ave neighs/atom = 174.57300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.312710851292, Press = 0.259994061402267
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   83000   -8174.7974   -8174.7974   -8262.9692   -8262.9692    341.23375    341.23375    22282.316    22282.316    987.61028    987.61028 
   84000      -8181.4      -8181.4   -8266.0249   -8266.0249    327.50722    327.50722    22277.783    22277.783    1064.7901    1064.7901 
Loop time of 13.5129 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.394 ns/day, 3.754 hours/ns, 74.003 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    | 13.311     | 13.311     | 13.311     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040624   | 0.040624   | 0.040624   |   0.0 |  0.30
Output  | 5.5364e-05 | 5.5364e-05 | 5.5364e-05 |   0.0 |  0.00
Modify  | 0.14021    | 0.14021    | 0.14021    |   0.0 |  1.04
Other   |            | 0.02154    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5522.00 ave        5522 max        5522 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:      350136.0 ave      350136 max      350136 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350136
Ave neighs/atom = 175.06800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.291662637288, Press = -1.24160368443912
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   84000      -8181.4      -8181.4   -8266.0249   -8266.0249    327.50722    327.50722    22277.783    22277.783    1064.7901    1064.7901 
   85000    -8173.888    -8173.888   -8261.5965   -8261.5965    339.44114    339.44114    22301.714    22301.714    15.155869    15.155869 
Loop time of 13.5151 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.393 ns/day, 3.754 hours/ns, 73.991 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    | 13.312     | 13.312     | 13.312     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040827   | 0.040827   | 0.040827   |   0.0 |  0.30
Output  | 6.7159e-05 | 6.7159e-05 | 6.7159e-05 |   0.0 |  0.00
Modify  | 0.14045    | 0.14045    | 0.14045    |   0.0 |  1.04
Other   |            | 0.02156    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5533.00 ave        5533 max        5533 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:      350302.0 ave      350302 max      350302 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350302
Ave neighs/atom = 175.15100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.252603561182, Press = -2.45681591496517
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   85000    -8173.888    -8173.888   -8261.5965   -8261.5965    339.44114    339.44114    22301.714    22301.714    15.155869    15.155869 
   86000   -8177.2384   -8177.2384   -8262.0227   -8262.0227    328.12382    328.12382    22334.846    22334.846   -2917.3802   -2917.3802 
Loop time of 13.5008 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.400 ns/day, 3.750 hours/ns, 74.070 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    | 13.298     | 13.298     | 13.298     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041011   | 0.041011   | 0.041011   |   0.0 |  0.30
Output  | 6.1467e-05 | 6.1467e-05 | 6.1467e-05 |   0.0 |  0.00
Modify  | 0.14042    | 0.14042    | 0.14042    |   0.0 |  1.04
Other   |            | 0.02157    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5525.00 ave        5525 max        5525 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:      349746.0 ave      349746 max      349746 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349746
Ave neighs/atom = 174.87300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.246828783476, Press = -1.02814340471266
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   86000   -8177.2384   -8177.2384   -8262.0227   -8262.0227    328.12382    328.12382    22334.846    22334.846   -2917.3802   -2917.3802 
   87000   -8172.8972   -8172.8972   -8260.5244   -8260.5244    339.12648    339.12648    22330.187    22330.187   -1716.8046   -1716.8046 
Loop time of 13.4877 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.406 ns/day, 3.747 hours/ns, 74.142 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    | 13.285     | 13.285     | 13.285     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040954   | 0.040954   | 0.040954   |   0.0 |  0.30
Output  | 5.5816e-05 | 5.5816e-05 | 5.5816e-05 |   0.0 |  0.00
Modify  | 0.14018    | 0.14018    | 0.14018    |   0.0 |  1.04
Other   |            | 0.02153    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5501.00 ave        5501 max        5501 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:      349268.0 ave      349268 max      349268 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349268
Ave neighs/atom = 174.63400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.247773896189, Press = -1.29696200438918
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   87000   -8172.8972   -8172.8972   -8260.5244   -8260.5244    339.12648    339.12648    22330.187    22330.187   -1716.8046   -1716.8046 
   88000    -8176.483    -8176.483   -8260.6122   -8260.6122    325.58857    325.58857        22337        22337   -1991.0957   -1991.0957 
Loop time of 13.4854 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.407 ns/day, 3.746 hours/ns, 74.154 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    | 13.283     | 13.283     | 13.283     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040565   | 0.040565   | 0.040565   |   0.0 |  0.30
Output  | 5.6198e-05 | 5.6198e-05 | 5.6198e-05 |   0.0 |  0.00
Modify  | 0.14016    | 0.14016    | 0.14016    |   0.0 |  1.04
Other   |            | 0.02165    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5521.00 ave        5521 max        5521 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:      349020.0 ave      349020 max      349020 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349020
Ave neighs/atom = 174.51000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.255728810296, Press = -0.36199824829368
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   88000    -8176.483    -8176.483   -8260.6122   -8260.6122    325.58857    325.58857        22337        22337   -1991.0957   -1991.0957 
   89000   -8174.5733   -8174.5733   -8261.3903   -8261.3903    335.99096    335.99096    22312.399    22312.399   -588.83554   -588.83554 
Loop time of 13.484 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.408 ns/day, 3.746 hours/ns, 74.162 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    | 13.281     | 13.281     | 13.281     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040834   | 0.040834   | 0.040834   |   0.0 |  0.30
Output  | 5.6706e-05 | 5.6706e-05 | 5.6706e-05 |   0.0 |  0.00
Modify  | 0.14034    | 0.14034    | 0.14034    |   0.0 |  1.04
Other   |            | 0.02158    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5517.00 ave        5517 max        5517 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:      349254.0 ave      349254 max      349254 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349254
Ave neighs/atom = 174.62700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.253060268404, Press = -0.585318317596637
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   89000   -8174.5733   -8174.5733   -8261.3903   -8261.3903    335.99096    335.99096    22312.399    22312.399   -588.83554   -588.83554 
   90000   -8177.9701   -8177.9701   -8261.7464   -8261.7464    324.22306    324.22306    22277.898    22277.898    2465.5746    2465.5746 
Loop time of 13.4904 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.405 ns/day, 3.747 hours/ns, 74.127 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    | 13.288     | 13.288     | 13.288     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040716   | 0.040716   | 0.040716   |   0.0 |  0.30
Output  | 7.5609e-05 | 7.5609e-05 | 7.5609e-05 |   0.0 |  0.00
Modify  | 0.14052    | 0.14052    | 0.14052    |   0.0 |  1.04
Other   |            | 0.02157    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5522.00 ave        5522 max        5522 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:      349528.0 ave      349528 max      349528 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349528
Ave neighs/atom = 174.76400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.228304445819, Press = -0.740822665471101
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   90000   -8177.9701   -8177.9701   -8261.7464   -8261.7464    324.22306    324.22306    22277.898    22277.898    2465.5746    2465.5746 
   91000   -8175.1364   -8175.1364   -8262.0269   -8262.0269    336.27542    336.27542    22308.475    22308.475   -468.70262   -468.70262 
Loop time of 13.5105 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.395 ns/day, 3.753 hours/ns, 74.016 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    | 13.307     | 13.307     | 13.307     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041175   | 0.041175   | 0.041175   |   0.0 |  0.30
Output  | 5.4874e-05 | 5.4874e-05 | 5.4874e-05 |   0.0 |  0.00
Modify  | 0.14041    | 0.14041    | 0.14041    |   0.0 |  1.04
Other   |            | 0.02152    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5520.00 ave        5520 max        5520 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:      350348.0 ave      350348 max      350348 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350348
Ave neighs/atom = 175.17400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.207179254191, Press = -0.948559042205484
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   91000   -8175.1364   -8175.1364   -8262.0269   -8262.0269    336.27542    336.27542    22308.475    22308.475   -468.70262   -468.70262 
   92000   -8173.5777   -8173.5777   -8259.3356   -8259.3356    331.89173    331.89173    22310.702    22310.702      845.428      845.428 
Loop time of 13.4873 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.406 ns/day, 3.746 hours/ns, 74.144 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    | 13.285     | 13.285     | 13.285     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040683   | 0.040683   | 0.040683   |   0.0 |  0.30
Output  | 6.2345e-05 | 6.2345e-05 | 6.2345e-05 |   0.0 |  0.00
Modify  | 0.14036    | 0.14036    | 0.14036    |   0.0 |  1.04
Other   |            | 0.0215     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5511.00 ave        5511 max        5511 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:      349886.0 ave      349886 max      349886 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349886
Ave neighs/atom = 174.94300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.182484293701, Press = -0.994653920049662
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   92000   -8173.5777   -8173.5777   -8259.3356   -8259.3356    331.89173    331.89173    22310.702    22310.702      845.428      845.428 
   93000   -8176.0518   -8176.0518   -8261.8859   -8261.8859    332.18667    332.18667    22300.817    22300.817    75.087589    75.087589 
Loop time of 13.4935 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.403 ns/day, 3.748 hours/ns, 74.110 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    | 13.291     | 13.291     | 13.291     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040881   | 0.040881   | 0.040881   |   0.0 |  0.30
Output  | 5.8225e-05 | 5.8225e-05 | 5.8225e-05 |   0.0 |  0.00
Modify  | 0.14026    | 0.14026    | 0.14026    |   0.0 |  1.04
Other   |            | 0.0215     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5529.00 ave        5529 max        5529 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:      349498.0 ave      349498 max      349498 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349498
Ave neighs/atom = 174.74900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.213600773876, Press = -2.03206337283066
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   93000   -8176.0518   -8176.0518   -8261.8859   -8261.8859    332.18667    332.18667    22300.817    22300.817    75.087589    75.087589 
   94000   -8173.9039   -8173.9039   -8257.6071   -8257.6071     323.9397     323.9397    22359.347    22359.347   -3211.1565   -3211.1565 
Loop time of 13.4977 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.401 ns/day, 3.749 hours/ns, 74.087 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.295     | 13.295     | 13.295     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041192   | 0.041192   | 0.041192   |   0.0 |  0.31
Output  | 7.1132e-05 | 7.1132e-05 | 7.1132e-05 |   0.0 |  0.00
Modify  | 0.14021    | 0.14021    | 0.14021    |   0.0 |  1.04
Other   |            | 0.02163    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5518.00 ave        5518 max        5518 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:      349534.0 ave      349534 max      349534 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349534
Ave neighs/atom = 174.76700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.226656474172, Press = -0.92451791011562
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   94000   -8173.9039   -8173.9039   -8257.6071   -8257.6071     323.9397     323.9397    22359.347    22359.347   -3211.1565   -3211.1565 
   95000   -8178.4498   -8178.4498   -8262.8665   -8262.8665    326.70114    326.70114    22293.478    22293.478    1135.5838    1135.5838 
Loop time of 13.4948 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.402 ns/day, 3.749 hours/ns, 74.103 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    | 13.292     | 13.292     | 13.292     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040667   | 0.040667   | 0.040667   |   0.0 |  0.30
Output  | 5.7246e-05 | 5.7246e-05 | 5.7246e-05 |   0.0 |  0.00
Modify  | 0.14042    | 0.14042    | 0.14042    |   0.0 |  1.04
Other   |            | 0.02148    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5513.00 ave        5513 max        5513 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:      348654.0 ave      348654 max      348654 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348654
Ave neighs/atom = 174.32700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.223453158667, Press = -0.391705775681993
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   95000   -8178.4498   -8178.4498   -8262.8665   -8262.8665    326.70114    326.70114    22293.478    22293.478    1135.5838    1135.5838 
   96000   -8174.7493   -8174.7493   -8260.6707   -8260.6707     332.5246     332.5246     22288.58     22288.58    1258.3038    1258.3038 
Loop time of 13.4844 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.407 ns/day, 3.746 hours/ns, 74.160 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    | 13.282     | 13.282     | 13.282     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040758   | 0.040758   | 0.040758   |   0.0 |  0.30
Output  | 5.3288e-05 | 5.3288e-05 | 5.3288e-05 |   0.0 |  0.00
Modify  | 0.14035    | 0.14035    | 0.14035    |   0.0 |  1.04
Other   |            | 0.0215     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5515.00 ave        5515 max        5515 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:      350006.0 ave      350006 max      350006 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350006
Ave neighs/atom = 175.00300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.196317094586, Press = -1.11432277347874
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   96000   -8174.7493   -8174.7493   -8260.6707   -8260.6707     332.5246     332.5246     22288.58     22288.58    1258.3038    1258.3038 
   97000    -8179.947    -8179.947   -8263.7879   -8263.7879    324.47299    324.47299    22317.575    22317.575   -2152.0887   -2152.0887 
Loop time of 13.5031 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.399 ns/day, 3.751 hours/ns, 74.057 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    | 13.3       | 13.3       | 13.3       |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040814   | 0.040814   | 0.040814   |   0.0 |  0.30
Output  | 5.394e-05  | 5.394e-05  | 5.394e-05  |   0.0 |  0.00
Modify  | 0.14041    | 0.14041    | 0.14041    |   0.0 |  1.04
Other   |            | 0.02156    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5526.00 ave        5526 max        5526 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:      349720.0 ave      349720 max      349720 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349720
Ave neighs/atom = 174.86000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.187267896676, Press = -0.746398892674996
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   97000    -8179.947    -8179.947   -8263.7879   -8263.7879    324.47299    324.47299    22317.575    22317.575   -2152.0887   -2152.0887 
   98000   -8175.0277   -8175.0277   -8261.4837   -8261.4837    334.59359    334.59359      22277.6      22277.6    2068.7358    2068.7358 
Loop time of 13.5036 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.398 ns/day, 3.751 hours/ns, 74.054 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.301     | 13.301     | 13.301     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040705   | 0.040705   | 0.040705   |   0.0 |  0.30
Output  | 5.2607e-05 | 5.2607e-05 | 5.2607e-05 |   0.0 |  0.00
Modify  | 0.14042    | 0.14042    | 0.14042    |   0.0 |  1.04
Other   |            | 0.02153    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5546.00 ave        5546 max        5546 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:      349750.0 ave      349750 max      349750 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349750
Ave neighs/atom = 174.87500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.163922391408, Press = 0.873788786116705
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   98000   -8175.0277   -8175.0277   -8261.4837   -8261.4837    334.59359    334.59359      22277.6      22277.6    2068.7358    2068.7358 
   99000    -8175.555    -8175.555   -8261.9828   -8261.9828    334.48454    334.48454    22252.888    22252.888    4710.4758    4710.4758 
Loop time of 13.4952 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.402 ns/day, 3.749 hours/ns, 74.101 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    | 13.292     | 13.292     | 13.292     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040851   | 0.040851   | 0.040851   |   0.0 |  0.30
Output  | 7.7674e-05 | 7.7674e-05 | 7.7674e-05 |   0.0 |  0.00
Modify  | 0.1405     | 0.1405     | 0.1405     |   0.0 |  1.04
Other   |            | 0.02155    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5522.00 ave        5522 max        5522 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:      349920.0 ave      349920 max      349920 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349920
Ave neighs/atom = 174.96000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.155742286843, Press = -0.546724467182914
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   99000    -8175.555    -8175.555   -8261.9828   -8261.9828    334.48454    334.48454    22252.888    22252.888    4710.4758    4710.4758 
  100000   -8173.8377   -8173.8377   -8259.8716   -8259.8716    332.96006    332.96006    22310.059    22310.059    81.985327    81.985327 
Loop time of 13.4898 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.405 ns/day, 3.747 hours/ns, 74.130 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    | 13.287     | 13.287     | 13.287     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040657   | 0.040657   | 0.040657   |   0.0 |  0.30
Output  | 5.6808e-05 | 5.6808e-05 | 5.6808e-05 |   0.0 |  0.00
Modify  | 0.14039    | 0.14039    | 0.14039    |   0.0 |  1.04
Other   |            | 0.02157    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5547.00 ave        5547 max        5547 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:      350658.0 ave      350658 max      350658 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350658
Ave neighs/atom = 175.32900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.164019513594, Press = -1.38182972462132
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  100000   -8173.8377   -8173.8377   -8259.8716   -8259.8716    332.96006    332.96006    22310.059    22310.059    81.985327    81.985327 
  101000   -8178.9214   -8178.9214   -8262.5449   -8262.5449    323.63171    323.63171    22280.173    22280.173    1658.2055    1658.2055 
Loop time of 13.4941 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.403 ns/day, 3.748 hours/ns, 74.107 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    | 13.291     | 13.291     | 13.291     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040904   | 0.040904   | 0.040904   |   0.0 |  0.30
Output  | 5.8853e-05 | 5.8853e-05 | 5.8853e-05 |   0.0 |  0.00
Modify  | 0.14026    | 0.14026    | 0.14026    |   0.0 |  1.04
Other   |            | 0.02147    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5527.00 ave        5527 max        5527 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:      349226.0 ave      349226 max      349226 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349226
Ave neighs/atom = 174.61300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.155299169866, Press = -1.0576559130632
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  101000   -8178.9214   -8178.9214   -8262.5449   -8262.5449    323.63171    323.63171    22280.173    22280.173    1658.2055    1658.2055 
  102000   -8173.8416   -8173.8416   -8261.0375   -8261.0375     337.4571     337.4571    22329.126    22329.126   -1606.4458   -1606.4458 
Loop time of 13.5167 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.392 ns/day, 3.755 hours/ns, 73.982 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    | 13.314     | 13.314     | 13.314     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040792   | 0.040792   | 0.040792   |   0.0 |  0.30
Output  | 5.4933e-05 | 5.4933e-05 | 5.4933e-05 |   0.0 |  0.00
Modify  | 0.14014    | 0.14014    | 0.14014    |   0.0 |  1.04
Other   |            | 0.02149    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5505.00 ave        5505 max        5505 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:      350292.0 ave      350292 max      350292 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350292
Ave neighs/atom = 175.14600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.154875484896, Press = -1.31077139502493
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  102000   -8173.8416   -8173.8416   -8261.0375   -8261.0375     337.4571     337.4571    22329.126    22329.126   -1606.4458   -1606.4458 
  103000   -8176.4846   -8176.4846   -8262.9328   -8262.9328    334.56328    334.56328    22337.829    22337.829   -3205.3566   -3205.3566 
Loop time of 13.4972 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.401 ns/day, 3.749 hours/ns, 74.090 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    | 13.294     | 13.294     | 13.294     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04094    | 0.04094    | 0.04094    |   0.0 |  0.30
Output  | 6.8349e-05 | 6.8349e-05 | 6.8349e-05 |   0.0 |  0.00
Modify  | 0.14028    | 0.14028    | 0.14028    |   0.0 |  1.04
Other   |            | 0.02147    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5520.00 ave        5520 max        5520 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:      349390.0 ave      349390 max      349390 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349390
Ave neighs/atom = 174.69500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T333.15.out"  else  "print 'not_converged'  file output/vol_T333.15.out"
print '${V}'  file output/vol_T333.15.out
22304.038646803

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0