# 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 2.7947813645005226*${_u_distance}
variable latticeconst_converted equal 2.7947813645005226*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.79478136450052
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_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_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 21829.4863178415    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 21829.4863178415/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 21829.4863178415/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 21829.4863178415/(1*1*${_u_distance})
variable      V0_metal equal 21829.4863178415/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 21829.4863178415*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 21829.4863178415 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 273.15*${_u_temperature}
variable temp_converted equal 273.15*1
variable Tdamp_converted equal 0.1*${_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 273.15 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 273.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 273.15 273.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 273.15 273.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 273.15 273.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 273.15 273.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 273.15 273.15 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  "273.15 - 0.2"
variable      T_up  equal  "273.15 + 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_820335782779_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   -8218.4043   -8218.4043   -8288.9838   -8288.9838       273.15       273.15    21829.486    21829.486    3453.4669    3453.4669 
    1000   -8183.4774   -8183.4774   -8254.2606   -8254.2606    273.93829    273.93829    22306.421    22306.421     1897.456     1897.456 
Loop time of 14.6156 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.912 ns/day, 4.060 hours/ns, 68.420 timesteps/s
94.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.329     | 14.329     | 14.329     |   0.0 | 98.04
Neigh   | 0.046194   | 0.046194   | 0.046194   |   0.0 |  0.32
Comm    | 0.046655   | 0.046655   | 0.046655   |   0.0 |  0.32
Output  | 0.00033961 | 0.00033961 | 0.00033961 |   0.0 |  0.00
Modify  | 0.15798    | 0.15798    | 0.15798    |   0.0 |  1.08
Other   |            | 0.03568    |            |       |  0.24

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5483.00 ave        5483 max        5483 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      342026.0 ave      342026 max      342026 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 342026
Ave neighs/atom = 171.01300
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   -8183.4774   -8183.4774   -8254.2606   -8254.2606    273.93829    273.93829    22306.421    22306.421     1897.456     1897.456 
    2000    -8196.194    -8196.194   -8269.6438   -8269.6438    284.25853    284.25853    22275.435    22275.435   -472.28716   -472.28716 
Loop time of 14.1922 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.088 ns/day, 3.942 hours/ns, 70.461 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    | 13.947     | 13.947     | 13.947     |   0.0 | 98.27
Neigh   | 0.022307   | 0.022307   | 0.022307   |   0.0 |  0.16
Comm    | 0.045341   | 0.045341   | 0.045341   |   0.0 |  0.32
Output  | 0.00012159 | 0.00012159 | 0.00012159 |   0.0 |  0.00
Modify  | 0.15232    | 0.15232    | 0.15232    |   0.0 |  1.07
Other   |            | 0.02532    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5479.00 ave        5479 max        5479 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      345622.0 ave      345622 max      345622 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 345622
Ave neighs/atom = 172.81100
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    -8196.194    -8196.194   -8269.6438   -8269.6438    284.25853    284.25853    22275.435    22275.435   -472.28716   -472.28716 
    3000   -8203.4725   -8203.4725   -8273.4916   -8273.4916    270.98141    270.98141    22221.693    22221.693    1326.7797    1326.7797 
Loop time of 13.6881 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.312 ns/day, 3.802 hours/ns, 73.056 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    | 13.462     | 13.462     | 13.462     |   0.0 | 98.35
Neigh   | 0.021489   | 0.021489   | 0.021489   |   0.0 |  0.16
Comm    | 0.042421   | 0.042421   | 0.042421   |   0.0 |  0.31
Output  | 0.00026567 | 0.00026567 | 0.00026567 |   0.0 |  0.00
Modify  | 0.13996    | 0.13996    | 0.13996    |   0.0 |  1.02
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:        5495.00 ave        5495 max        5495 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349090.0 ave      349090 max      349090 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349090
Ave neighs/atom = 174.54500
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   -8203.4725   -8203.4725   -8273.4916   -8273.4916    270.98141    270.98141    22221.693    22221.693    1326.7797    1326.7797 
    4000   -8209.3822   -8209.3822   -8277.4437   -8277.4437    263.40476    263.40476     22253.48     22253.48   -1424.7894   -1424.7894 
Loop time of 13.6249 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.341 ns/day, 3.785 hours/ns, 73.395 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    | 13.422     | 13.422     | 13.422     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041886   | 0.041886   | 0.041886   |   0.0 |  0.31
Output  | 0.00012433 | 0.00012433 | 0.00012433 |   0.0 |  0.00
Modify  | 0.13993    | 0.13993    | 0.13993    |   0.0 |  1.03
Other   |            | 0.02132    |            |       |  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:      350314.0 ave      350314 max      350314 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350314
Ave neighs/atom = 175.15700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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   -8209.3822   -8209.3822   -8277.4437   -8277.4437    263.40476    263.40476     22253.48     22253.48   -1424.7894   -1424.7894 
    5000   -8204.8683   -8204.8683   -8278.4983   -8278.4983    284.95584    284.95584    22238.069    22238.069   -1187.1438   -1187.1438 
Loop time of 13.59 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.358 ns/day, 3.775 hours/ns, 73.584 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    | 13.387     | 13.387     | 13.387     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041775   | 0.041775   | 0.041775   |   0.0 |  0.31
Output  | 9.4274e-05 | 9.4274e-05 | 9.4274e-05 |   0.0 |  0.00
Modify  | 0.13979    | 0.13979    | 0.13979    |   0.0 |  1.03
Other   |            | 0.02115    |            |       |  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:      350386.0 ave      350386 max      350386 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350386
Ave neighs/atom = 175.19300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 275.524792592568, Press = -1379.77920153097
next a
jump SELF top
variable a loop 2000
run 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   -8204.8683   -8204.8683   -8278.4983   -8278.4983    284.95584    284.95584    22238.069    22238.069   -1187.1438   -1187.1438 
    6000   -8208.2864   -8208.2864   -8277.2408   -8277.2408    266.86084    266.86084    22204.465    22204.465    2376.4916    2376.4916 
Loop time of 13.5926 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.356 ns/day, 3.776 hours/ns, 73.569 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    | 13.385     | 13.385     | 13.385     |   0.0 | 98.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041786   | 0.041786   | 0.041786   |   0.0 |  0.31
Output  | 6.3744e-05 | 6.3744e-05 | 6.3744e-05 |   0.0 |  0.00
Modify  | 0.14427    | 0.14427    | 0.14427    |   0.0 |  1.06
Other   |            | 0.02128    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5531.00 ave        5531 max        5531 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350300.0 ave      350300 max      350300 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350300
Ave neighs/atom = 175.15000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 274.763493090382, Press = 25.7066934867965
next a
jump SELF top
variable a loop 2000
run 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   -8208.2864   -8208.2864   -8277.2408   -8277.2408    266.86084    266.86084    22204.465    22204.465    2376.4916    2376.4916 
    7000   -8205.4823   -8205.4823   -8276.8187   -8276.8187    276.07919    276.07919    22242.679    22242.679   -970.49149   -970.49149 
Loop time of 13.5801 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.362 ns/day, 3.772 hours/ns, 73.637 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 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041835   | 0.041835   | 0.041835   |   0.0 |  0.31
Output  | 9.9891e-05 | 9.9891e-05 | 9.9891e-05 |   0.0 |  0.00
Modify  | 0.14351    | 0.14351    | 0.14351    |   0.0 |  1.06
Other   |            | 0.02105    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5539.00 ave        5539 max        5539 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      351264.0 ave      351264 max      351264 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351264
Ave neighs/atom = 175.63200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 274.489082968822, Press = -31.2844964801681
next a
jump SELF top
variable a loop 2000
run 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   -8205.4823   -8205.4823   -8276.8187   -8276.8187    276.07919    276.07919    22242.679    22242.679   -970.49149   -970.49149 
    8000   -8204.3633   -8204.3633   -8276.1572   -8276.1572    277.84982    277.84982    22227.546    22227.546    888.55223    888.55223 
Loop time of 13.5972 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.354 ns/day, 3.777 hours/ns, 73.545 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 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041848   | 0.041848   | 0.041848   |   0.0 |  0.31
Output  | 6.6542e-05 | 6.6542e-05 | 6.6542e-05 |   0.0 |  0.00
Modify  | 0.14357    | 0.14357    | 0.14357    |   0.0 |  1.06
Other   |            | 0.02112    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5541.00 ave        5541 max        5541 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350538.0 ave      350538 max      350538 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350538
Ave neighs/atom = 175.26900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 274.038802995428, Press = -35.9762835705168
next a
jump SELF top
variable a loop 2000
run 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   -8204.3633   -8204.3633   -8276.1572   -8276.1572    277.84982    277.84982    22227.546    22227.546    888.55223    888.55223 
    9000   -8207.4567   -8207.4567   -8277.7925   -8277.7925    272.20677    272.20677    22200.999    22200.999    2285.4076    2285.4076 
Loop time of 13.6037 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.351 ns/day, 3.779 hours/ns, 73.509 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    | 13.396     | 13.396     | 13.396     |   0.0 | 98.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04227    | 0.04227    | 0.04227    |   0.0 |  0.31
Output  | 6.5904e-05 | 6.5904e-05 | 6.5904e-05 |   0.0 |  0.00
Modify  | 0.14415    | 0.14415    | 0.14415    |   0.0 |  1.06
Other   |            | 0.02134    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5531.00 ave        5531 max        5531 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350718.0 ave      350718 max      350718 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350718
Ave neighs/atom = 175.35900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 274.499600893252, Press = 1.97073982568352
next a
jump SELF top
variable a loop 2000
run 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   -8207.4567   -8207.4567   -8277.7925   -8277.7925    272.20677    272.20677    22200.999    22200.999    2285.4076    2285.4076 
   10000   -8202.9926   -8202.9926   -8275.9927   -8275.9927    282.51803    282.51803    22258.892    22258.892   -1664.1093   -1664.1093 
Loop time of 13.6311 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.338 ns/day, 3.786 hours/ns, 73.362 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    | 13.423     | 13.423     | 13.423     |   0.0 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042232   | 0.042232   | 0.042232   |   0.0 |  0.31
Output  | 6.6066e-05 | 6.6066e-05 | 6.6066e-05 |   0.0 |  0.00
Modify  | 0.14422    | 0.14422    | 0.14422    |   0.0 |  1.06
Other   |            | 0.02121    |            |       |  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:      351416.0 ave      351416 max      351416 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351416
Ave neighs/atom = 175.70800
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 = 274.308504292618, Press = -18.8152112929401
next a
jump SELF top
variable a loop 2000
run 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   -8202.9926   -8202.9926   -8275.9927   -8275.9927    282.51803    282.51803    22258.892    22258.892   -1664.1093   -1664.1093 
   11000   -8207.1387   -8207.1387   -8278.6539   -8278.6539      276.771      276.771    22209.653    22209.653    922.74082    922.74082 
Loop time of 13.5876 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.359 ns/day, 3.774 hours/ns, 73.596 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    | 13.381     | 13.381     | 13.381     |   0.0 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042025   | 0.042025   | 0.042025   |   0.0 |  0.31
Output  | 0.00010505 | 0.00010505 | 0.00010505 |   0.0 |  0.00
Modify  | 0.14368    | 0.14368    | 0.14368    |   0.0 |  1.06
Other   |            | 0.02111    |            |       |  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:      350672.0 ave      350672 max      350672 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350672
Ave neighs/atom = 175.33600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 274.574508284696, Press = -9.78975496426979
next a
jump SELF top
variable a loop 2000
run 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   -8207.1387   -8207.1387   -8278.6539   -8278.6539      276.771      276.771    22209.653    22209.653    922.74082    922.74082 
   12000    -8204.253    -8204.253   -8276.1041   -8276.1041    278.07105    278.07105    22248.429    22248.429   -696.09184   -696.09184 
Loop time of 13.6456 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.332 ns/day, 3.790 hours/ns, 73.284 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.436     | 13.436     | 13.436     |   0.0 | 98.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042253   | 0.042253   | 0.042253   |   0.0 |  0.31
Output  | 6.975e-05  | 6.975e-05  | 6.975e-05  |   0.0 |  0.00
Modify  | 0.14529    | 0.14529    | 0.14529    |   0.0 |  1.06
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:        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:      351346.0 ave      351346 max      351346 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351346
Ave neighs/atom = 175.67300
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 = 274.43298612375, Press = -4.984383028546
next a
jump SELF top
variable a loop 2000
run 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    -8204.253    -8204.253   -8276.1041   -8276.1041    278.07105    278.07105    22248.429    22248.429   -696.09184   -696.09184 
   13000   -8207.5725   -8207.5725   -8277.0314   -8277.0314    268.81301    268.81301     22254.15     22254.15   -2010.5224   -2010.5224 
Loop time of 13.9404 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.198 ns/day, 3.872 hours/ns, 71.734 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    | 13.723     | 13.723     | 13.723     |   0.0 | 98.44
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043287   | 0.043287   | 0.043287   |   0.0 |  0.31
Output  | 6.6146e-05 | 6.6146e-05 | 6.6146e-05 |   0.0 |  0.00
Modify  | 0.15146    | 0.15146    | 0.15146    |   0.0 |  1.09
Other   |            | 0.02218    |            |       |  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:      350728.0 ave      350728 max      350728 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350728
Ave neighs/atom = 175.36400
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 = 274.272540179076, Press = -8.27932525035285
next a
jump SELF top
variable a loop 2000
run 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   -8207.5725   -8207.5725   -8277.0314   -8277.0314    268.81301    268.81301     22254.15     22254.15   -2010.5224   -2010.5224 
   14000   -8206.4305   -8206.4305   -8276.4698   -8276.4698    271.05929    271.05929    22228.408    22228.408    296.09891    296.09891 
Loop time of 13.5827 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    | 13.377     | 13.377     | 13.377     |   0.0 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041729   | 0.041729   | 0.041729   |   0.0 |  0.31
Output  | 6.6601e-05 | 6.6601e-05 | 6.6601e-05 |   0.0 |  0.00
Modify  | 0.1432     | 0.1432     | 0.1432     |   0.0 |  1.05
Other   |            | 0.02115    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5536.00 ave        5536 max        5536 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350384.0 ave      350384 max      350384 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350384
Ave neighs/atom = 175.19200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.972327316076, Press = -13.8893834638474
next a
jump SELF top
variable a loop 2000
run 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   -8206.4305   -8206.4305   -8276.4698   -8276.4698    271.05929    271.05929    22228.408    22228.408    296.09891    296.09891 
   15000   -8209.6813   -8209.6813    -8280.047    -8280.047    272.32284    272.32284    22180.595    22180.595    3142.9414    3142.9414 
Loop time of 13.7272 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.294 ns/day, 3.813 hours/ns, 72.848 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    | 13.515     | 13.515     | 13.515     |   0.0 | 98.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042694   | 0.042694   | 0.042694   |   0.0 |  0.31
Output  | 9.327e-05  | 9.327e-05  | 9.327e-05  |   0.0 |  0.00
Modify  | 0.14738    | 0.14738    | 0.14738    |   0.0 |  1.07
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:        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:      350902.0 ave      350902 max      350902 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350902
Ave neighs/atom = 175.45100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.83951506288, Press = 0.112002327159317
next a
jump SELF top
variable a loop 2000
run 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   -8209.6813   -8209.6813    -8280.047    -8280.047    272.32284    272.32284    22180.595    22180.595    3142.9414    3142.9414 
   16000   -8204.6952   -8204.6952   -8278.1301   -8278.1301    284.20047    284.20047    22244.231    22244.231   -1269.4777   -1269.4777 
Loop time of 13.5863 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.359 ns/day, 3.774 hours/ns, 73.604 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    | 13.38      | 13.38      | 13.38      |   0.0 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041828   | 0.041828   | 0.041828   |   0.0 |  0.31
Output  | 6.571e-05  | 6.571e-05  | 6.571e-05  |   0.0 |  0.00
Modify  | 0.14346    | 0.14346    | 0.14346    |   0.0 |  1.06
Other   |            | 0.02113    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5542.00 ave        5542 max        5542 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      351558.0 ave      351558 max      351558 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351558
Ave neighs/atom = 175.77900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.804288491978, Press = -2.50285885443527
next a
jump SELF top
variable a loop 2000
run 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   -8204.6952   -8204.6952   -8278.1301   -8278.1301    284.20047    284.20047    22244.231    22244.231   -1269.4777   -1269.4777 
   17000   -8208.5403   -8208.5403   -8277.9605   -8277.9605    268.66342    268.66342    22223.586    22223.586    331.46689    331.46689 
Loop time of 13.5706 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.367 ns/day, 3.770 hours/ns, 73.689 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.365     | 13.365     | 13.365     |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041596   | 0.041596   | 0.041596   |   0.0 |  0.31
Output  | 7.5185e-05 | 7.5185e-05 | 7.5185e-05 |   0.0 |  0.00
Modify  | 0.143      | 0.143      | 0.143      |   0.0 |  1.05
Other   |            | 0.02089    |            |       |  0.15

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:      350822.0 ave      350822 max      350822 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350822
Ave neighs/atom = 175.41100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.788468734312, Press = -3.35103971009534
next a
jump SELF top
variable a loop 2000
run 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   -8208.5403   -8208.5403   -8277.9605   -8277.9605    268.66342    268.66342    22223.586    22223.586    331.46689    331.46689 
   18000   -8204.5871   -8204.5871   -8276.8395   -8276.8395    279.62435    279.62435    22226.549    22226.549    535.74117    535.74117 
Loop time of 13.5816 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.362 ns/day, 3.773 hours/ns, 73.629 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    | 13.375     | 13.375     | 13.375     |   0.0 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041939   | 0.041939   | 0.041939   |   0.0 |  0.31
Output  | 6.4846e-05 | 6.4846e-05 | 6.4846e-05 |   0.0 |  0.00
Modify  | 0.1438     | 0.1438     | 0.1438     |   0.0 |  1.06
Other   |            | 0.021      |            |       |  0.15

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:      351166.0 ave      351166 max      351166 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351166
Ave neighs/atom = 175.58300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.666910428312, Press = -5.02416032563926
next a
jump SELF top
variable a loop 2000
run 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   -8204.5871   -8204.5871   -8276.8395   -8276.8395    279.62435    279.62435    22226.549    22226.549    535.74117    535.74117 
   19000   -8206.7417   -8206.7417    -8279.172    -8279.172    280.31296    280.31296    22234.179    22234.179   -780.43323   -780.43323 
Loop time of 13.9712 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.184 ns/day, 3.881 hours/ns, 71.576 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    | 13.753     | 13.753     | 13.753     |   0.0 | 98.44
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043461   | 0.043461   | 0.043461   |   0.0 |  0.31
Output  | 9.2981e-05 | 9.2981e-05 | 9.2981e-05 |   0.0 |  0.00
Modify  | 0.15197    | 0.15197    | 0.15197    |   0.0 |  1.09
Other   |            | 0.02233    |            |       |  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:      350934.0 ave      350934 max      350934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350934
Ave neighs/atom = 175.46700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.652498925497, Press = 2.77373022589216
next a
jump SELF top
variable a loop 2000
run 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   -8206.7417   -8206.7417    -8279.172    -8279.172    280.31296    280.31296    22234.179    22234.179   -780.43323   -780.43323 
   20000   -8208.2726   -8208.2726   -8276.3851   -8276.3851    263.60226    263.60226    22239.702    22239.702   -769.45139   -769.45139 
Loop time of 14.8273 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.827 ns/day, 4.119 hours/ns, 67.443 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.574     | 14.574     | 14.574     |   0.0 | 98.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.051021   | 0.051021   | 0.051021   |   0.0 |  0.34
Output  | 6.7564e-05 | 6.7564e-05 | 6.7564e-05 |   0.0 |  0.00
Modify  | 0.17065    | 0.17065    | 0.17065    |   0.0 |  1.15
Other   |            | 0.03113    |            |       |  0.21

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:      350834.0 ave      350834 max      350834 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350834
Ave neighs/atom = 175.41700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.788750091024, Press = -7.62829236053699
next a
jump SELF top
variable a loop 2000
run 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   -8208.2726   -8208.2726   -8276.3851   -8276.3851    263.60226    263.60226    22239.702    22239.702   -769.45139   -769.45139 
   21000   -8204.2625   -8204.2625   -8276.8128   -8276.8128    280.77704    280.77704    22215.172    22215.172    1446.4217    1446.4217 
Loop time of 14.8322 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.825 ns/day, 4.120 hours/ns, 67.421 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    | 14.578     | 14.578     | 14.578     |   0.0 | 98.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.050547   | 0.050547   | 0.050547   |   0.0 |  0.34
Output  | 6.5162e-05 | 6.5162e-05 | 6.5162e-05 |   0.0 |  0.00
Modify  | 0.17177    | 0.17177    | 0.17177    |   0.0 |  1.16
Other   |            | 0.03166    |            |       |  0.21

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5540.00 ave        5540 max        5540 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350672.0 ave      350672 max      350672 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350672
Ave neighs/atom = 175.33600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.825317648061, Press = -1.90305513347878
next a
jump SELF top
variable a loop 2000
run 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   -8204.2625   -8204.2625   -8276.8128   -8276.8128    280.77704    280.77704    22215.172    22215.172    1446.4217    1446.4217 
   22000   -8208.2765   -8208.2765   -8278.2186   -8278.2186     270.6831     270.6831    22209.411    22209.411    1351.0123    1351.0123 
Loop time of 14.8219 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.829 ns/day, 4.117 hours/ns, 67.468 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.571     | 14.571     | 14.571     |   0.0 | 98.31
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.050273   | 0.050273   | 0.050273   |   0.0 |  0.34
Output  | 6.6921e-05 | 6.6921e-05 | 6.6921e-05 |   0.0 |  0.00
Modify  | 0.17129    | 0.17129    | 0.17129    |   0.0 |  1.16
Other   |            | 0.02946    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5536.00 ave        5536 max        5536 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      351086.0 ave      351086 max      351086 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351086
Ave neighs/atom = 175.54300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.906614444486, Press = -4.06326840319108
next a
jump SELF top
variable a loop 2000
run 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   -8208.2765   -8208.2765   -8278.2186   -8278.2186     270.6831     270.6831    22209.411    22209.411    1351.0123    1351.0123 
   23000   -8205.7395   -8205.7395   -8277.0002   -8277.0002    275.78608    275.78608    22231.091    22231.091    94.946067    94.946067 
Loop time of 14.8251 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.828 ns/day, 4.118 hours/ns, 67.453 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    | 14.573     | 14.573     | 14.573     |   0.0 | 98.30
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.050553   | 0.050553   | 0.050553   |   0.0 |  0.34
Output  | 9.8535e-05 | 9.8535e-05 | 9.8535e-05 |   0.0 |  0.00
Modify  | 0.17102    | 0.17102    | 0.17102    |   0.0 |  1.15
Other   |            | 0.03055    |            |       |  0.21

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:      351466.0 ave      351466 max      351466 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351466
Ave neighs/atom = 175.73300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.772019799957, Press = -0.990254739686308
next a
jump SELF top
variable a loop 2000
run 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   -8205.7395   -8205.7395   -8277.0002   -8277.0002    275.78608    275.78608    22231.091    22231.091    94.946067    94.946067 
   24000   -8208.1208   -8208.1208   -8275.6757   -8275.6757    261.44459    261.44459    22249.116    22249.116    -744.0013    -744.0013 
Loop time of 14.8266 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.827 ns/day, 4.119 hours/ns, 67.446 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    | 14.581     | 14.581     | 14.581     |   0.0 | 98.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.049121   | 0.049121   | 0.049121   |   0.0 |  0.33
Output  | 6.7524e-05 | 6.7524e-05 | 6.7524e-05 |   0.0 |  0.00
Modify  | 0.16843    | 0.16843    | 0.16843    |   0.0 |  1.14
Other   |            | 0.02836    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5550.00 ave        5550 max        5550 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350834.0 ave      350834 max      350834 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350834
Ave neighs/atom = 175.41700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.696862308625, Press = -3.65378677675836
next a
jump SELF top
variable a loop 2000
run 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   -8208.1208   -8208.1208   -8275.6757   -8275.6757    261.44459    261.44459    22249.116    22249.116    -744.0013    -744.0013 
   25000   -8205.0797   -8205.0797   -8277.2685   -8277.2685    279.37797    279.37797    22245.893    22245.893   -1248.5264   -1248.5264 
Loop time of 14.804 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.836 ns/day, 4.112 hours/ns, 67.549 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    | 14.553     | 14.553     | 14.553     |   0.0 | 98.30
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.050931   | 0.050931   | 0.050931   |   0.0 |  0.34
Output  | 7.8252e-05 | 7.8252e-05 | 7.8252e-05 |   0.0 |  0.00
Modify  | 0.16908    | 0.16908    | 0.16908    |   0.0 |  1.14
Other   |            | 0.03121    |            |       |  0.21

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:      350760.0 ave      350760 max      350760 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350760
Ave neighs/atom = 175.38000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.694862985666, Press = -3.11236791903928
next a
jump SELF top
variable a loop 2000
run 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   -8205.0797   -8205.0797   -8277.2685   -8277.2685    279.37797    279.37797    22245.893    22245.893   -1248.5264   -1248.5264 
   26000   -8207.4905   -8207.4905   -8276.5858   -8276.5858    267.40612    267.40612    22235.798    22235.798   -119.88199   -119.88199 
Loop time of 14.8105 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.834 ns/day, 4.114 hours/ns, 67.520 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    | 14.562     | 14.562     | 14.562     |   0.0 | 98.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.050045   | 0.050045   | 0.050045   |   0.0 |  0.34
Output  | 0.00051077 | 0.00051077 | 0.00051077 |   0.0 |  0.00
Modify  | 0.16761    | 0.16761    | 0.16761    |   0.0 |  1.13
Other   |            | 0.03004    |            |       |  0.20

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:      350748.0 ave      350748 max      350748 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350748
Ave neighs/atom = 175.37400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.781504977835, Press = -4.78266062083131
next a
jump SELF top
variable a loop 2000
run 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   -8207.4905   -8207.4905   -8276.5858   -8276.5858    267.40612    267.40612    22235.798    22235.798   -119.88199   -119.88199 
   27000   -8202.7811   -8202.7811   -8276.0865   -8276.0865    283.69968    283.69968    22207.357    22207.357    2486.2449    2486.2449 
Loop time of 14.797 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.839 ns/day, 4.110 hours/ns, 67.581 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    | 14.546     | 14.546     | 14.546     |   0.0 | 98.30
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.050266   | 0.050266   | 0.050266   |   0.0 |  0.34
Output  | 8.9491e-05 | 8.9491e-05 | 8.9491e-05 |   0.0 |  0.00
Modify  | 0.1716     | 0.1716     | 0.1716     |   0.0 |  1.16
Other   |            | 0.02901    |            |       |  0.20

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:      350950.0 ave      350950 max      350950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350950
Ave neighs/atom = 175.47500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.847271038639, Press = -1.08587083022705
next a
jump SELF top
variable a loop 2000
run 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   -8202.7811   -8202.7811   -8276.0865   -8276.0865    283.69968    283.69968    22207.357    22207.357    2486.2449    2486.2449 
   28000   -8208.6721   -8208.6721   -8278.0545   -8278.0545    268.51678    268.51678    22235.052    22235.052   -683.46203   -683.46203 
Loop time of 14.7893 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.842 ns/day, 4.108 hours/ns, 67.616 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    | 14.552     | 14.552     | 14.552     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046588   | 0.046588   | 0.046588   |   0.0 |  0.32
Output  | 6.7087e-05 | 6.7087e-05 | 6.7087e-05 |   0.0 |  0.00
Modify  | 0.16516    | 0.16516    | 0.16516    |   0.0 |  1.12
Other   |            | 0.02514    |            |       |  0.17

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:      351414.0 ave      351414 max      351414 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351414
Ave neighs/atom = 175.70700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.863272843666, Press = -0.133460851255184
next a
jump SELF top
variable a loop 2000
run 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   -8208.6721   -8208.6721   -8278.0545   -8278.0545    268.51678    268.51678    22235.052    22235.052   -683.46203   -683.46203 
   29000   -8207.9466   -8207.9466   -8278.2318   -8278.2318    272.01094    272.01094    22241.854    22241.854   -1254.7289   -1254.7289 
Loop time of 14.8215 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.829 ns/day, 4.117 hours/ns, 67.470 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.57      | 14.57      | 14.57      |   0.0 | 98.30
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.050623   | 0.050623   | 0.050623   |   0.0 |  0.34
Output  | 5.8315e-05 | 5.8315e-05 | 5.8315e-05 |   0.0 |  0.00
Modify  | 0.16767    | 0.16767    | 0.16767    |   0.0 |  1.13
Other   |            | 0.0329     |            |       |  0.22

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:      350822.0 ave      350822 max      350822 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350822
Ave neighs/atom = 175.41100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.847176331607, Press = -3.9205064227691
next a
jump SELF top
variable a loop 2000
run 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   -8207.9466   -8207.9466   -8278.2318   -8278.2318    272.01094    272.01094    22241.854    22241.854   -1254.7289   -1254.7289 
   30000   -8205.2503   -8205.2503   -8277.6324   -8277.6324    280.12624    280.12624      22191.8      22191.8     3104.212     3104.212 
Loop time of 14.8235 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.829 ns/day, 4.118 hours/ns, 67.460 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.572     | 14.572     | 14.572     |   0.0 | 98.30
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.050773   | 0.050773   | 0.050773   |   0.0 |  0.34
Output  | 6.7299e-05 | 6.7299e-05 | 6.7299e-05 |   0.0 |  0.00
Modify  | 0.16747    | 0.16747    | 0.16747    |   0.0 |  1.13
Other   |            | 0.03367    |            |       |  0.23

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5536.00 ave        5536 max        5536 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350586.0 ave      350586 max      350586 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350586
Ave neighs/atom = 175.29300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.816709217049, Press = -3.34605619286755
next a
jump SELF top
variable a loop 2000
run 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   -8205.2503   -8205.2503   -8277.6324   -8277.6324    280.12624    280.12624      22191.8      22191.8     3104.212     3104.212 
   31000   -8206.9796   -8206.9796   -8277.5634   -8277.5634    273.16639    273.16639    22222.947    22222.947    643.18563    643.18563 
Loop time of 14.7775 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.847 ns/day, 4.105 hours/ns, 67.671 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    | 14.549     | 14.549     | 14.549     |   0.0 | 98.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044541   | 0.044541   | 0.044541   |   0.0 |  0.30
Output  | 8.2944e-05 | 8.2944e-05 | 8.2944e-05 |   0.0 |  0.00
Modify  | 0.16003    | 0.16003    | 0.16003    |   0.0 |  1.08
Other   |            | 0.02371    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5539.00 ave        5539 max        5539 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      351646.0 ave      351646 max      351646 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351646
Ave neighs/atom = 175.82300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.812941703441, Press = 1.58792724018682
next a
jump SELF top
variable a loop 2000
run 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   -8206.9796   -8206.9796   -8277.5634   -8277.5634    273.16639    273.16639    22222.947    22222.947    643.18563    643.18563 
   32000   -8208.3186   -8208.3186   -8279.8174   -8279.8174    276.70772    276.70772    22236.709    22236.709   -1505.0065   -1505.0065 
Loop time of 14.8158 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.832 ns/day, 4.115 hours/ns, 67.496 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    | 14.575     | 14.575     | 14.575     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047786   | 0.047786   | 0.047786   |   0.0 |  0.32
Output  | 6.144e-05  | 6.144e-05  | 6.144e-05  |   0.0 |  0.00
Modify  | 0.16482    | 0.16482    | 0.16482    |   0.0 |  1.11
Other   |            | 0.02852    |            |       |  0.19

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:      351040.0 ave      351040 max      351040 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351040
Ave neighs/atom = 175.52000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.798062096013, Press = -3.33049024526206
next a
jump SELF top
variable a loop 2000
run 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   -8208.3186   -8208.3186   -8279.8174   -8279.8174    276.70772    276.70772    22236.709    22236.709   -1505.0065   -1505.0065 
   33000   -8206.4694   -8206.4694   -8277.1324   -8277.1324    273.47322    273.47322    22203.125    22203.125    2433.2873    2433.2873 
Loop time of 14.8156 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.832 ns/day, 4.115 hours/ns, 67.496 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    | 14.565     | 14.565     | 14.565     |   0.0 | 98.31
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.050242   | 0.050242   | 0.050242   |   0.0 |  0.34
Output  | 6.1897e-05 | 6.1897e-05 | 6.1897e-05 |   0.0 |  0.00
Modify  | 0.16862    | 0.16862    | 0.16862    |   0.0 |  1.14
Other   |            | 0.03218    |            |       |  0.22

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:      350666.0 ave      350666 max      350666 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350666
Ave neighs/atom = 175.33300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.717446973945, Press = -1.86816341543685
next a
jump SELF top
variable a loop 2000
run 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   -8206.4694   -8206.4694   -8277.1324   -8277.1324    273.47322    273.47322    22203.125    22203.125    2433.2873    2433.2873 
   34000   -8207.7523   -8207.7523   -8278.5767   -8278.5767    274.09753    274.09753     22215.97     22215.97     835.8107     835.8107 
Loop time of 14.8189 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.830 ns/day, 4.116 hours/ns, 67.482 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    | 14.588     | 14.588     | 14.588     |   0.0 | 98.44
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044953   | 0.044953   | 0.044953   |   0.0 |  0.30
Output  | 6.438e-05  | 6.438e-05  | 6.438e-05  |   0.0 |  0.00
Modify  | 0.1618     | 0.1618     | 0.1618     |   0.0 |  1.09
Other   |            | 0.02379    |            |       |  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:      351330.0 ave      351330 max      351330 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351330
Ave neighs/atom = 175.66500
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 = 273.668376733478, Press = 0.0205578545399314
next a
jump SELF top
variable a loop 2000
run 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   -8207.7523   -8207.7523   -8278.5767   -8278.5767    274.09753    274.09753     22215.97     22215.97     835.8107     835.8107 
   35000   -8206.1433   -8206.1433   -8276.1844   -8276.1844    271.06635    271.06635     22265.14     22265.14   -2289.2787   -2289.2787 
Loop time of 14.7872 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.843 ns/day, 4.108 hours/ns, 67.626 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    | 14.555     | 14.555     | 14.555     |   0.0 | 98.43
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045098   | 0.045098   | 0.045098   |   0.0 |  0.30
Output  | 7.7282e-05 | 7.7282e-05 | 7.7282e-05 |   0.0 |  0.00
Modify  | 0.1631     | 0.1631     | 0.1631     |   0.0 |  1.10
Other   |            | 0.02407    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5537.00 ave        5537 max        5537 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      351198.0 ave      351198 max      351198 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351198
Ave neighs/atom = 175.59900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.599455351255, Press = -2.89857227048288
next a
jump SELF top
variable a loop 2000
run 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   -8206.1433   -8206.1433   -8276.1844   -8276.1844    271.06635    271.06635     22265.14     22265.14   -2289.2787   -2289.2787 
   36000   -8208.0752   -8208.0752   -8279.3237   -8279.3237    275.73917    275.73917    22184.783    22184.783    3195.5431    3195.5431 
Loop time of 14.8098 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.834 ns/day, 4.114 hours/ns, 67.523 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    | 14.575     | 14.575     | 14.575     |   0.0 | 98.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046359   | 0.046359   | 0.046359   |   0.0 |  0.31
Output  | 6.3662e-05 | 6.3662e-05 | 6.3662e-05 |   0.0 |  0.00
Modify  | 0.16314    | 0.16314    | 0.16314    |   0.0 |  1.10
Other   |            | 0.02571    |            |       |  0.17

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:      350346.0 ave      350346 max      350346 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350346
Ave neighs/atom = 175.17300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.56123691941, Press = -4.12537357850041
next a
jump SELF top
variable a loop 2000
run 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   -8208.0752   -8208.0752   -8279.3237   -8279.3237    275.73917    275.73917    22184.783    22184.783    3195.5431    3195.5431 
   37000   -8207.1142   -8207.1142   -8277.9143   -8277.9143    274.00335    274.00335    22217.958    22217.958    772.34408    772.34408 
Loop time of 14.8031 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.837 ns/day, 4.112 hours/ns, 67.554 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    | 14.57      | 14.57      | 14.57      |   0.0 | 98.43
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04525    | 0.04525    | 0.04525    |   0.0 |  0.31
Output  | 5.296e-05  | 5.296e-05  | 5.296e-05  |   0.0 |  0.00
Modify  | 0.16341    | 0.16341    | 0.16341    |   0.0 |  1.10
Other   |            | 0.02414    |            |       |  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:      351664.0 ave      351664 max      351664 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351664
Ave neighs/atom = 175.83200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.471309514493, Press = 0.447383544979469
next a
jump SELF top
variable a loop 2000
run 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   -8207.1142   -8207.1142   -8277.9143   -8277.9143    274.00335    274.00335    22217.958    22217.958    772.34408    772.34408 
   38000   -8207.5396   -8207.5396   -8278.7522   -8278.7522    275.60045    275.60045    22229.504    22229.504    21.424706    21.424706 
Loop time of 14.7715 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.849 ns/day, 4.103 hours/ns, 67.698 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    | 14.535     | 14.535     | 14.535     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046588   | 0.046588   | 0.046588   |   0.0 |  0.32
Output  | 5.3808e-05 | 5.3808e-05 | 5.3808e-05 |   0.0 |  0.00
Modify  | 0.16333    | 0.16333    | 0.16333    |   0.0 |  1.11
Other   |            | 0.02649    |            |       |  0.18

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:      351348.0 ave      351348 max      351348 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351348
Ave neighs/atom = 175.67400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.465673570915, Press = -2.16691438019518
next a
jump SELF top
variable a loop 2000
run 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   -8207.5396   -8207.5396   -8278.7522   -8278.7522    275.60045    275.60045    22229.504    22229.504    21.424706    21.424706 
   39000   -8205.4127   -8205.4127   -8276.6216   -8276.6216    275.58591    275.58591    22210.394    22210.394    1739.6178    1739.6178 
Loop time of 14.7909 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.841 ns/day, 4.109 hours/ns, 67.609 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    | 14.538     | 14.538     | 14.538     |   0.0 | 98.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.050771   | 0.050771   | 0.050771   |   0.0 |  0.34
Output  | 5.6413e-05 | 5.6413e-05 | 5.6413e-05 |   0.0 |  0.00
Modify  | 0.16942    | 0.16942    | 0.16942    |   0.0 |  1.15
Other   |            | 0.03243    |            |       |  0.22

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:      350836.0 ave      350836 max      350836 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350836
Ave neighs/atom = 175.41800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.485399485361, Press = -0.981484254128905
next a
jump SELF top
variable a loop 2000
run 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   -8205.4127   -8205.4127   -8276.6216   -8276.6216    275.58591    275.58591    22210.394    22210.394    1739.6178    1739.6178 
   40000   -8209.4327   -8209.4327   -8278.0295   -8278.0295    265.47686    265.47686    22228.061    22228.061   -154.65013   -154.65013 
Loop time of 14.7572 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.855 ns/day, 4.099 hours/ns, 67.764 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    | 14.527     | 14.527     | 14.527     |   0.0 | 98.44
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044537   | 0.044537   | 0.044537   |   0.0 |  0.30
Output  | 7.3626e-05 | 7.3626e-05 | 7.3626e-05 |   0.0 |  0.00
Modify  | 0.16164    | 0.16164    | 0.16164    |   0.0 |  1.10
Other   |            | 0.02371    |            |       |  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:      351254.0 ave      351254 max      351254 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351254
Ave neighs/atom = 175.62700
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 = 273.53299103584, Press = -1.4346569636282
next a
jump SELF top
variable a loop 2000
run 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   -8209.4327   -8209.4327   -8278.0295   -8278.0295    265.47686    265.47686    22228.061    22228.061   -154.65013   -154.65013 
   41000   -8206.7418   -8206.7418   -8277.9124   -8277.9124     275.4376     275.4376    22188.746    22188.746    2980.7636    2980.7636 
Loop time of 14.7514 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.857 ns/day, 4.098 hours/ns, 67.790 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    | 14.518     | 14.518     | 14.518     |   0.0 | 98.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045429   | 0.045429   | 0.045429   |   0.0 |  0.31
Output  | 5.7103e-05 | 5.7103e-05 | 5.7103e-05 |   0.0 |  0.00
Modify  | 0.16379    | 0.16379    | 0.16379    |   0.0 |  1.11
Other   |            | 0.02461    |            |       |  0.17

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:      351108.0 ave      351108 max      351108 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351108
Ave neighs/atom = 175.55400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.521057738864, Press = -1.81144771102825
next a
jump SELF top
variable a loop 2000
run 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   -8206.7418   -8206.7418   -8277.9124   -8277.9124     275.4376     275.4376    22188.746    22188.746    2980.7636    2980.7636 
   42000   -8208.5488   -8208.5488   -8278.7887   -8278.7887    271.83586    271.83586    22225.417    22225.417    444.46637    444.46637 
Loop time of 14.7736 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.848 ns/day, 4.104 hours/ns, 67.688 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    | 14.546     | 14.546     | 14.546     |   0.0 | 98.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044151   | 0.044151   | 0.044151   |   0.0 |  0.30
Output  | 6.1532e-05 | 6.1532e-05 | 6.1532e-05 |   0.0 |  0.00
Modify  | 0.16007    | 0.16007    | 0.16007    |   0.0 |  1.08
Other   |            | 0.02329    |            |       |  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:      351740.0 ave      351740 max      351740 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351740
Ave neighs/atom = 175.87000
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 = 273.521925547243, Press = 0.150274389166277
next a
jump SELF top
variable a loop 2000
run 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   -8208.5488   -8208.5488   -8278.7887   -8278.7887    271.83586    271.83586    22225.417    22225.417    444.46637    444.46637 
   43000   -8207.7248   -8207.7248   -8278.1158   -8278.1158    272.42039    272.42039    22274.412    22274.412   -4362.1614   -4362.1614 
Loop time of 14.7832 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.844 ns/day, 4.106 hours/ns, 67.644 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    | 14.535     | 14.535     | 14.535     |   0.0 | 98.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04916    | 0.04916    | 0.04916    |   0.0 |  0.33
Output  | 5.6248e-05 | 5.6248e-05 | 5.6248e-05 |   0.0 |  0.00
Modify  | 0.16796    | 0.16796    | 0.16796    |   0.0 |  1.14
Other   |            | 0.03076    |            |       |  0.21

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:      351114.0 ave      351114 max      351114 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351114
Ave neighs/atom = 175.55700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.526358009044, Press = -1.12196388097984
next a
jump SELF top
variable a loop 2000
run 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   -8207.7248   -8207.7248   -8278.1158   -8278.1158    272.42039    272.42039    22274.412    22274.412   -4362.1614   -4362.1614 
   44000   -8209.1676   -8209.1676   -8279.0255   -8279.0255    270.35749    270.35749    22233.567    22233.567   -440.75869   -440.75869 
Loop time of 14.7944 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.840 ns/day, 4.110 hours/ns, 67.593 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    | 14.541     | 14.541     | 14.541     |   0.0 | 98.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.051141   | 0.051141   | 0.051141   |   0.0 |  0.35
Output  | 7.6092e-05 | 7.6092e-05 | 7.6092e-05 |   0.0 |  0.00
Modify  | 0.16867    | 0.16867    | 0.16867    |   0.0 |  1.14
Other   |            | 0.03338    |            |       |  0.23

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:      349858.0 ave      349858 max      349858 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349858
Ave neighs/atom = 174.92900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.55444109902, Press = -3.06675978950998
next a
jump SELF top
variable a loop 2000
run 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   -8209.1676   -8209.1676   -8279.0255   -8279.0255    270.35749    270.35749    22233.567    22233.567   -440.75869   -440.75869 
   45000   -8204.7725   -8204.7725   -8275.7894   -8275.7894    274.84273    274.84273    22221.727    22221.727    1356.7743    1356.7743 
Loop time of 14.7699 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.850 ns/day, 4.103 hours/ns, 67.705 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    | 14.535     | 14.535     | 14.535     |   0.0 | 98.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046404   | 0.046404   | 0.046404   |   0.0 |  0.31
Output  | 6.7445e-05 | 6.7445e-05 | 6.7445e-05 |   0.0 |  0.00
Modify  | 0.16139    | 0.16139    | 0.16139    |   0.0 |  1.09
Other   |            | 0.02677    |            |       |  0.18

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:      350850.0 ave      350850 max      350850 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350850
Ave neighs/atom = 175.42500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.56114261808, Press = -0.63405749817146
next a
jump SELF top
variable a loop 2000
run 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   -8204.7725   -8204.7725   -8275.7894   -8275.7894    274.84273    274.84273    22221.727    22221.727    1356.7743    1356.7743 
   46000   -8207.2441   -8207.2441   -8278.3341   -8278.3341    275.12554    275.12554     22239.92     22239.92   -1259.3605   -1259.3605 
Loop time of 14.7919 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.841 ns/day, 4.109 hours/ns, 67.605 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    | 14.537     | 14.537     | 14.537     |   0.0 | 98.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.051205   | 0.051205   | 0.051205   |   0.0 |  0.35
Output  | 5.2523e-05 | 5.2523e-05 | 5.2523e-05 |   0.0 |  0.00
Modify  | 0.16932    | 0.16932    | 0.16932    |   0.0 |  1.14
Other   |            | 0.03428    |            |       |  0.23

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:      351036.0 ave      351036 max      351036 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351036
Ave neighs/atom = 175.51800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.510900648322, Press = -1.79273035514294
next a
jump SELF top
variable a loop 2000
run 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   -8207.2441   -8207.2441   -8278.3341   -8278.3341    275.12554    275.12554     22239.92     22239.92   -1259.3605   -1259.3605 
   47000   -8205.4764   -8205.4764   -8278.4624   -8278.4624    282.46326    282.46326    22230.211    22230.211   -262.96091   -262.96091 
Loop time of 14.7684 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.850 ns/day, 4.102 hours/ns, 67.712 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    | 14.532     | 14.532     | 14.532     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046481   | 0.046481   | 0.046481   |   0.0 |  0.31
Output  | 5.5516e-05 | 5.5516e-05 | 5.5516e-05 |   0.0 |  0.00
Modify  | 0.16285    | 0.16285    | 0.16285    |   0.0 |  1.10
Other   |            | 0.02673    |            |       |  0.18

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:      350864.0 ave      350864 max      350864 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350864
Ave neighs/atom = 175.43200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.532475625012, Press = -2.6712081557196
next a
jump SELF top
variable a loop 2000
run 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   -8205.4764   -8205.4764   -8278.4624   -8278.4624    282.46326    282.46326    22230.211    22230.211   -262.96091   -262.96091 
   48000   -8207.3408   -8207.3408   -8277.8946   -8277.8946    273.05055    273.05055    22217.373    22217.373    1142.1166    1142.1166 
Loop time of 14.7487 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.858 ns/day, 4.097 hours/ns, 67.803 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    | 14.518     | 14.518     | 14.518     |   0.0 | 98.44
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044613   | 0.044613   | 0.044613   |   0.0 |  0.30
Output  | 7.6768e-05 | 7.6768e-05 | 7.6768e-05 |   0.0 |  0.00
Modify  | 0.16202    | 0.16202    | 0.16202    |   0.0 |  1.10
Other   |            | 0.02347    |            |       |  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:      350972.0 ave      350972 max      350972 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350972
Ave neighs/atom = 175.48600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.558499545593, Press = -1.74036824182256
next a
jump SELF top
variable a loop 2000
run 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   -8207.3408   -8207.3408   -8277.8946   -8277.8946    273.05055    273.05055    22217.373    22217.373    1142.1166    1142.1166 
   49000   -8206.9238   -8206.9238   -8277.8218   -8277.8218    274.38261    274.38261    22191.822    22191.822    3387.0018    3387.0018 
Loop time of 14.7354 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.863 ns/day, 4.093 hours/ns, 67.864 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    | 14.507     | 14.507     | 14.507     |   0.0 | 98.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044401   | 0.044401   | 0.044401   |   0.0 |  0.30
Output  | 5.7485e-05 | 5.7485e-05 | 5.7485e-05 |   0.0 |  0.00
Modify  | 0.16034    | 0.16034    | 0.16034    |   0.0 |  1.09
Other   |            | 0.02398    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5541.00 ave        5541 max        5541 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      351170.0 ave      351170 max      351170 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351170
Ave neighs/atom = 175.58500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.566992535433, Press = 1.22051034909476
next a
jump SELF top
variable a loop 2000
run 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   -8206.9238   -8206.9238   -8277.8218   -8277.8218    274.38261    274.38261    22191.822    22191.822    3387.0018    3387.0018 
   50000   -8210.6144   -8210.6144   -8276.0832   -8276.0832    253.37121    253.37121    22265.579    22265.579   -2784.2838   -2784.2838 
Loop time of 14.7862 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.843 ns/day, 4.107 hours/ns, 67.631 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    | 14.54      | 14.54      | 14.54      |   0.0 | 98.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.048965   | 0.048965   | 0.048965   |   0.0 |  0.33
Output  | 5.1822e-05 | 5.1822e-05 | 5.1822e-05 |   0.0 |  0.00
Modify  | 0.1665     | 0.1665     | 0.1665     |   0.0 |  1.13
Other   |            | 0.03024    |            |       |  0.20

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:      351478.0 ave      351478 max      351478 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351478
Ave neighs/atom = 175.73900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.504038700165, Press = -0.451419939488258
next a
jump SELF top
variable a loop 2000
run 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   -8210.6144   -8210.6144   -8276.0832   -8276.0832    253.37121    253.37121    22265.579    22265.579   -2784.2838   -2784.2838 
   51000   -8207.3579   -8207.3579   -8278.9856   -8278.9856     277.2068     277.2068    22225.184    22225.184    216.15821    216.15821 
Loop time of 14.7863 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.843 ns/day, 4.107 hours/ns, 67.630 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    | 14.532     | 14.532     | 14.532     |   0.0 | 98.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.051262   | 0.051262   | 0.051262   |   0.0 |  0.35
Output  | 5.2254e-05 | 5.2254e-05 | 5.2254e-05 |   0.0 |  0.00
Modify  | 0.17064    | 0.17064    | 0.17064    |   0.0 |  1.15
Other   |            | 0.03244    |            |       |  0.22

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:      350454.0 ave      350454 max      350454 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350454
Ave neighs/atom = 175.22700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.51196618611, Press = -1.86235984426552
next a
jump SELF top
variable a loop 2000
run 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   -8207.3579   -8207.3579   -8278.9856   -8278.9856     277.2068     277.2068    22225.184    22225.184    216.15821    216.15821 
   52000   -8203.5702   -8203.5702   -8276.0018   -8276.0018    280.31766    280.31766    22233.584    22233.584    367.93712    367.93712 
Loop time of 14.7952 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.840 ns/day, 4.110 hours/ns, 67.589 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    | 14.542     | 14.542     | 14.542     |   0.0 | 98.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.05131    | 0.05131    | 0.05131    |   0.0 |  0.35
Output  | 8.152e-05  | 8.152e-05  | 8.152e-05  |   0.0 |  0.00
Modify  | 0.16969    | 0.16969    | 0.16969    |   0.0 |  1.15
Other   |            | 0.03227    |            |       |  0.22

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:      350868.0 ave      350868 max      350868 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350868
Ave neighs/atom = 175.43400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.532080649907, Press = -0.714664829528053
next a
jump SELF top
variable a loop 2000
run 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   -8203.5702   -8203.5702   -8276.0018   -8276.0018    280.31766    280.31766    22233.584    22233.584    367.93712    367.93712 
   53000   -8207.9504   -8207.9504    -8278.778    -8278.778    274.11015    274.11015    22237.045    22237.045   -1041.4487   -1041.4487 
Loop time of 14.7904 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.842 ns/day, 4.108 hours/ns, 67.611 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    | 14.552     | 14.552     | 14.552     |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046758   | 0.046758   | 0.046758   |   0.0 |  0.32
Output  | 5.7722e-05 | 5.7722e-05 | 5.7722e-05 |   0.0 |  0.00
Modify  | 0.16424    | 0.16424    | 0.16424    |   0.0 |  1.11
Other   |            | 0.02691    |            |       |  0.18

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:      350978.0 ave      350978 max      350978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350978
Ave neighs/atom = 175.48900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.554911984035, Press = 0.272705233827848
next a
jump SELF top
variable a loop 2000
run 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   -8207.9504   -8207.9504    -8278.778    -8278.778    274.11015    274.11015    22237.045    22237.045   -1041.4487   -1041.4487 
   54000   -8208.9896   -8208.9896   -8279.5751   -8279.5751    273.17331    273.17331     22254.98     22254.98   -2442.1551   -2442.1551 
Loop time of 14.7586 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.854 ns/day, 4.100 hours/ns, 67.757 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    | 14.518     | 14.518     | 14.518     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047905   | 0.047905   | 0.047905   |   0.0 |  0.32
Output  | 5.4782e-05 | 5.4782e-05 | 5.4782e-05 |   0.0 |  0.00
Modify  | 0.16354    | 0.16354    | 0.16354    |   0.0 |  1.11
Other   |            | 0.02865    |            |       |  0.19

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:      350524.0 ave      350524 max      350524 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350524
Ave neighs/atom = 175.26200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.582055840365, Press = -2.43338130107455
next a
jump SELF top
variable a loop 2000
run 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   -8208.9896   -8208.9896   -8279.5751   -8279.5751    273.17331    273.17331     22254.98     22254.98   -2442.1551   -2442.1551 
   55000   -8205.4584   -8205.4584   -8278.2059   -8278.2059    281.54034    281.54034    22193.578    22193.578     2690.397     2690.397 
Loop time of 14.7909 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.841 ns/day, 4.109 hours/ns, 67.609 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    | 14.549     | 14.549     | 14.549     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.048001   | 0.048001   | 0.048001   |   0.0 |  0.32
Output  | 6.4875e-05 | 6.4875e-05 | 6.4875e-05 |   0.0 |  0.00
Modify  | 0.16488    | 0.16488    | 0.16488    |   0.0 |  1.11
Other   |            | 0.02892    |            |       |  0.20

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:      350486.0 ave      350486 max      350486 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350486
Ave neighs/atom = 175.24300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.576881821588, Press = -2.16293654775072
next a
jump SELF top
variable a loop 2000
run 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   -8205.4584   -8205.4584   -8278.2059   -8278.2059    281.54034    281.54034    22193.578    22193.578     2690.397     2690.397 
   56000    -8208.769    -8208.769   -8279.9126   -8279.9126    275.33276    275.33276    22225.041    22225.041    -227.6096    -227.6096 
Loop time of 14.7704 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.850 ns/day, 4.103 hours/ns, 67.703 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    | 14.531     | 14.531     | 14.531     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047247   | 0.047247   | 0.047247   |   0.0 |  0.32
Output  | 8.2068e-05 | 8.2068e-05 | 8.2068e-05 |   0.0 |  0.00
Modify  | 0.1637     | 0.1637     | 0.1637     |   0.0 |  1.11
Other   |            | 0.02805    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5539.00 ave        5539 max        5539 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      351620.0 ave      351620 max      351620 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351620
Ave neighs/atom = 175.81000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.542623905413, Press = -0.559468018471971
next a
jump SELF top
variable a loop 2000
run 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    -8208.769    -8208.769   -8279.9126   -8279.9126    275.33276    275.33276    22225.041    22225.041    -227.6096    -227.6096 
   57000   -8207.3862   -8207.3862   -8278.2498   -8278.2498    274.24959    274.24959      22229.6      22229.6   -303.56156   -303.56156 
Loop time of 14.805 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.836 ns/day, 4.112 hours/ns, 67.545 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    | 14.549     | 14.549     | 14.549     |   0.0 | 98.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.051654   | 0.051654   | 0.051654   |   0.0 |  0.35
Output  | 5.5593e-05 | 5.5593e-05 | 5.5593e-05 |   0.0 |  0.00
Modify  | 0.16983    | 0.16983    | 0.16983    |   0.0 |  1.15
Other   |            | 0.03416    |            |       |  0.23

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:      350974.0 ave      350974 max      350974 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350974
Ave neighs/atom = 175.48700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.499142360973, Press = -1.14867575264211
next a
jump SELF top
variable a loop 2000
run 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   -8207.3862   -8207.3862   -8278.2498   -8278.2498    274.24959    274.24959      22229.6      22229.6   -303.56156   -303.56156 
   58000   -8205.8678   -8205.8678   -8277.7674   -8277.7674    278.25865    278.25865    22232.333    22232.333   -374.70821   -374.70821 
Loop time of 14.7882 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.842 ns/day, 4.108 hours/ns, 67.621 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    | 14.54      | 14.54      | 14.54      |   0.0 | 98.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.050073   | 0.050073   | 0.050073   |   0.0 |  0.34
Output  | 6.1662e-05 | 6.1662e-05 | 6.1662e-05 |   0.0 |  0.00
Modify  | 0.16661    | 0.16661    | 0.16661    |   0.0 |  1.13
Other   |            | 0.03197    |            |       |  0.22

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5535.00 ave        5535 max        5535 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350702.0 ave      350702 max      350702 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350702
Ave neighs/atom = 175.35100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.533454377545, Press = -1.00857721090226
next a
jump SELF top
variable a loop 2000
run 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   -8205.8678   -8205.8678   -8277.7674   -8277.7674    278.25865    278.25865    22232.333    22232.333   -374.70821   -374.70821 
   59000   -8205.4475   -8205.4475   -8278.3869   -8278.3869    282.28267    282.28267    22232.496    22232.496    -408.6103    -408.6103 
Loop time of 14.788 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.843 ns/day, 4.108 hours/ns, 67.622 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    | 14.538     | 14.538     | 14.538     |   0.0 | 98.31
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.050596   | 0.050596   | 0.050596   |   0.0 |  0.34
Output  | 5.3953e-05 | 5.3953e-05 | 5.3953e-05 |   0.0 |  0.00
Modify  | 0.1664     | 0.1664     | 0.1664     |   0.0 |  1.13
Other   |            | 0.03324    |            |       |  0.22

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5537.00 ave        5537 max        5537 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      351322.0 ave      351322 max      351322 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351322
Ave neighs/atom = 175.66100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.548924309916, Press = -1.86490412548238
next a
jump SELF top
variable a loop 2000
run 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   -8205.4475   -8205.4475   -8278.3869   -8278.3869    282.28267    282.28267    22232.496    22232.496    -408.6103    -408.6103 
   60000   -8208.2385   -8208.2385   -8278.3261   -8278.3261    271.24609    271.24609     22209.52     22209.52    1424.3686    1424.3686 
Loop time of 14.7624 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.853 ns/day, 4.101 hours/ns, 67.740 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    | 14.526     | 14.526     | 14.526     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046373   | 0.046373   | 0.046373   |   0.0 |  0.31
Output  | 7.7079e-05 | 7.7079e-05 | 7.7079e-05 |   0.0 |  0.00
Modify  | 0.1633     | 0.1633     | 0.1633     |   0.0 |  1.11
Other   |            | 0.02691    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5537.00 ave        5537 max        5537 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      351034.0 ave      351034 max      351034 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351034
Ave neighs/atom = 175.51700
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 = 273.576636377527, Press = 0.646592937924713
next a
jump SELF top
variable a loop 2000
run 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   -8208.2385   -8208.2385   -8278.3261   -8278.3261    271.24609    271.24609     22209.52     22209.52    1424.3686    1424.3686 
   61000   -8206.5413   -8206.5413    -8277.723    -8277.723    275.48071    275.48071    22251.854    22251.854   -1890.3053   -1890.3053 
Loop time of 14.7782 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.846 ns/day, 4.105 hours/ns, 67.667 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    | 14.543     | 14.543     | 14.543     |   0.0 | 98.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045951   | 0.045951   | 0.045951   |   0.0 |  0.31
Output  | 5.4422e-05 | 5.4422e-05 | 5.4422e-05 |   0.0 |  0.00
Modify  | 0.16371    | 0.16371    | 0.16371    |   0.0 |  1.11
Other   |            | 0.02537    |            |       |  0.17

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:      351378.0 ave      351378 max      351378 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351378
Ave neighs/atom = 175.68900
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 = 273.572334417641, Press = -0.225580513174912
next a
jump SELF top
variable a loop 2000
run 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   -8206.5413   -8206.5413    -8277.723    -8277.723    275.48071    275.48071    22251.854    22251.854   -1890.3053   -1890.3053 
   62000   -8209.6389   -8209.6389   -8279.6747   -8279.6747    271.04603    271.04603    22244.456    22244.456   -1864.5508   -1864.5508 
Loop time of 14.7904 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.842 ns/day, 4.108 hours/ns, 67.611 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    | 14.546     | 14.546     | 14.546     |   0.0 | 98.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.048789   | 0.048789   | 0.048789   |   0.0 |  0.33
Output  | 6.0309e-05 | 6.0309e-05 | 6.0309e-05 |   0.0 |  0.00
Modify  | 0.16585    | 0.16585    | 0.16585    |   0.0 |  1.12
Other   |            | 0.02967    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5536.00 ave        5536 max        5536 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350528.0 ave      350528 max      350528 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350528
Ave neighs/atom = 175.26400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.556613526472, Press = -1.13373719830447
next a
jump SELF top
variable a loop 2000
run 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   -8209.6389   -8209.6389   -8279.6747   -8279.6747    271.04603    271.04603    22244.456    22244.456   -1864.5508   -1864.5508 
   63000   -8203.0282   -8203.0282   -8277.7953   -8277.7953    289.35659    289.35659    22231.084    22231.084   -117.53246   -117.53246 
Loop time of 14.7544 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.856 ns/day, 4.098 hours/ns, 67.777 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    | 14.521     | 14.521     | 14.521     |   0.0 | 98.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045857   | 0.045857   | 0.045857   |   0.0 |  0.31
Output  | 6.1581e-05 | 6.1581e-05 | 6.1581e-05 |   0.0 |  0.00
Modify  | 0.16231    | 0.16231    | 0.16231    |   0.0 |  1.10
Other   |            | 0.02537    |            |       |  0.17

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:      350444.0 ave      350444 max      350444 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350444
Ave neighs/atom = 175.22200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.576996193084, Press = -0.997780524781365
next a
jump SELF top
variable a loop 2000
run 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   -8203.0282   -8203.0282   -8277.7953   -8277.7953    289.35659    289.35659    22231.084    22231.084   -117.53246   -117.53246 
   64000   -8207.2501   -8207.2501   -8277.7127   -8277.7127    272.69769    272.69769    22246.675    22246.675   -1219.5169   -1219.5169 
Loop time of 14.1657 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.099 ns/day, 3.935 hours/ns, 70.593 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    | 13.953     | 13.953     | 13.953     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042304   | 0.042304   | 0.042304   |   0.0 |  0.30
Output  | 8.0418e-05 | 8.0418e-05 | 8.0418e-05 |   0.0 |  0.00
Modify  | 0.14899    | 0.14899    | 0.14899    |   0.0 |  1.05
Other   |            | 0.0218     |            |       |  0.15

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:      351424.0 ave      351424 max      351424 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351424
Ave neighs/atom = 175.71200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.5829321472, Press = -0.959584277962501
next a
jump SELF top
variable a loop 2000
run 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   -8207.2501   -8207.2501   -8277.7127   -8277.7127    272.69769    272.69769    22246.675    22246.675   -1219.5169   -1219.5169 
   65000   -8205.9405   -8205.9405   -8276.8523   -8276.8523    274.43591    274.43591    22212.733    22212.733    1644.5654    1644.5654 
Loop time of 13.5448 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.379 ns/day, 3.762 hours/ns, 73.829 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 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040514   | 0.040514   | 0.040514   |   0.0 |  0.30
Output  | 6.2734e-05 | 6.2734e-05 | 6.2734e-05 |   0.0 |  0.00
Modify  | 0.13899    | 0.13899    | 0.13899    |   0.0 |  1.03
Other   |            | 0.02047    |            |       |  0.15

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:      350612.0 ave      350612 max      350612 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350612
Ave neighs/atom = 175.30600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.619548043732, Press = -0.246499129931554
next a
jump SELF top
variable a loop 2000
run 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   -8205.9405   -8205.9405   -8276.8523   -8276.8523    274.43591    274.43591    22212.733    22212.733    1644.5654    1644.5654 
   66000   -8204.7004   -8204.7004   -8276.7081   -8276.7081    278.67724    278.67724    22220.221    22220.221    1051.3299    1051.3299 
Loop time of 13.5891 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.358 ns/day, 3.775 hours/ns, 73.588 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    | 13.387     | 13.387     | 13.387     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040855   | 0.040855   | 0.040855   |   0.0 |  0.30
Output  | 6.5397e-05 | 6.5397e-05 | 6.5397e-05 |   0.0 |  0.00
Modify  | 0.1403     | 0.1403     | 0.1403     |   0.0 |  1.03
Other   |            | 0.02102    |            |       |  0.15

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:      351276.0 ave      351276 max      351276 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351276
Ave neighs/atom = 175.63800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.620506595683, Press = 0.208555741028769
next a
jump SELF top
variable a loop 2000
run 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   -8204.7004   -8204.7004   -8276.7081   -8276.7081    278.67724    278.67724    22220.221    22220.221    1051.3299    1051.3299 
   67000   -8208.9455   -8208.9455   -8279.2962   -8279.2962    272.26426    272.26426    22250.502    22250.502   -2135.9318   -2135.9318 
Loop time of 13.5529 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.375 ns/day, 3.765 hours/ns, 73.785 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    | 13.353     | 13.353     | 13.353     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040543   | 0.040543   | 0.040543   |   0.0 |  0.30
Output  | 6.1973e-05 | 6.1973e-05 | 6.1973e-05 |   0.0 |  0.00
Modify  | 0.13873    | 0.13873    | 0.13873    |   0.0 |  1.02
Other   |            | 0.02063    |            |       |  0.15

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:      351036.0 ave      351036 max      351036 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351036
Ave neighs/atom = 175.51800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.630604715026, Press = -0.591684538136213
next a
jump SELF top
variable a loop 2000
run 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   -8208.9455   -8208.9455   -8279.2962   -8279.2962    272.26426    272.26426    22250.502    22250.502   -2135.9318   -2135.9318 
   68000   -8206.7928   -8206.7928   -8277.9857   -8277.9857    275.52389    275.52389    22226.777    22226.777    470.33122    470.33122 
Loop time of 13.5475 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.378 ns/day, 3.763 hours/ns, 73.814 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.347     | 13.347     | 13.347     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040705   | 0.040705   | 0.040705   |   0.0 |  0.30
Output  | 9.5255e-05 | 9.5255e-05 | 9.5255e-05 |   0.0 |  0.00
Modify  | 0.13917    | 0.13917    | 0.13917    |   0.0 |  1.03
Other   |            | 0.02063    |            |       |  0.15

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:      350454.0 ave      350454 max      350454 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350454
Ave neighs/atom = 175.22700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.610961203834, Press = -1.10647846634069
next a
jump SELF top
variable a loop 2000
run 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   -8206.7928   -8206.7928   -8277.9857   -8277.9857    275.52389    275.52389    22226.777    22226.777    470.33122    470.33122 
   69000    -8206.053    -8206.053   -8276.9244   -8276.9244    274.27951    274.27951    22213.678    22213.678    1288.7693    1288.7693 
Loop time of 13.5556 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.374 ns/day, 3.765 hours/ns, 73.770 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    | 13.355     | 13.355     | 13.355     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040918   | 0.040918   | 0.040918   |   0.0 |  0.30
Output  | 0.00052193 | 0.00052193 | 0.00052193 |   0.0 |  0.00
Modify  | 0.13886    | 0.13886    | 0.13886    |   0.0 |  1.02
Other   |            | 0.02063    |            |       |  0.15

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:      351026.0 ave      351026 max      351026 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351026
Ave neighs/atom = 175.51300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.644761475492, Press = -1.35675492148301
next a
jump SELF top
variable a loop 2000
run 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    -8206.053    -8206.053   -8276.9244   -8276.9244    274.27951    274.27951    22213.678    22213.678    1288.7693    1288.7693 
   70000   -8205.0836   -8205.0836   -8276.3792   -8276.3792    275.92136    275.92136    22216.536    22216.536     1772.028     1772.028 
Loop time of 13.5499 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.376 ns/day, 3.764 hours/ns, 73.801 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.349     | 13.349     | 13.349     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040503   | 0.040503   | 0.040503   |   0.0 |  0.30
Output  | 0.00052355 | 0.00052355 | 0.00052355 |   0.0 |  0.00
Modify  | 0.13906    | 0.13906    | 0.13906    |   0.0 |  1.03
Other   |            | 0.0206     |            |       |  0.15

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:      351346.0 ave      351346 max      351346 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351346
Ave neighs/atom = 175.67300
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 = 273.65234260079, Press = -0.323486330594655
next a
jump SELF top
variable a loop 2000
run 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   -8205.0836   -8205.0836   -8276.3792   -8276.3792    275.92136    275.92136    22216.536    22216.536     1772.028     1772.028 
   71000   -8210.3663   -8210.3663   -8279.1825   -8279.1825    266.32572    266.32572    22218.238    22218.238   -224.53645   -224.53645 
Loop time of 13.5533 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.375 ns/day, 3.765 hours/ns, 73.783 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    | 13.352     | 13.352     | 13.352     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040705   | 0.040705   | 0.040705   |   0.0 |  0.30
Output  | 8.3353e-05 | 8.3353e-05 | 8.3353e-05 |   0.0 |  0.00
Modify  | 0.13926    | 0.13926    | 0.13926    |   0.0 |  1.03
Other   |            | 0.02082    |            |       |  0.15

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:      351218.0 ave      351218 max      351218 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351218
Ave neighs/atom = 175.60900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.636974788747, Press = -0.438140771754444
next a
jump SELF top
variable a loop 2000
run 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   -8210.3663   -8210.3663   -8279.1825   -8279.1825    266.32572    266.32572    22218.238    22218.238   -224.53645   -224.53645 
   72000   -8206.0477   -8206.0477   -8277.3427   -8277.3427    275.91906    275.91906    22233.435    22233.435   -59.525358   -59.525358 
Loop time of 14.668 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.890 ns/day, 4.074 hours/ns, 68.176 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    | 14.44      | 14.44      | 14.44      |   0.0 | 98.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045012   | 0.045012   | 0.045012   |   0.0 |  0.31
Output  | 7.6206e-05 | 7.6206e-05 | 7.6206e-05 |   0.0 |  0.00
Modify  | 0.15779    | 0.15779    | 0.15779    |   0.0 |  1.08
Other   |            | 0.025      |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5537.00 ave        5537 max        5537 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350960.0 ave      350960 max      350960 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350960
Ave neighs/atom = 175.48000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.594716702031, Press = -1.10206315672469
next a
jump SELF top
variable a loop 2000
run 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   -8206.0477   -8206.0477   -8277.3427   -8277.3427    275.91906    275.91906    22233.435    22233.435   -59.525358   -59.525358 
   73000   -8210.1696   -8210.1696   -8279.3323   -8279.3323    267.66693    267.66693    22212.763    22212.763    420.81995    420.81995 
Loop time of 14.7943 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.840 ns/day, 4.110 hours/ns, 67.594 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    | 14.553     | 14.553     | 14.553     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.048783   | 0.048783   | 0.048783   |   0.0 |  0.33
Output  | 7.2587e-05 | 7.2587e-05 | 7.2587e-05 |   0.0 |  0.00
Modify  | 0.16254    | 0.16254    | 0.16254    |   0.0 |  1.10
Other   |            | 0.03012    |            |       |  0.20

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:      350786.0 ave      350786 max      350786 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350786
Ave neighs/atom = 175.39300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.561550487706, Press = -0.440449683263935
next a
jump SELF top
variable a loop 2000
run 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   -8210.1696   -8210.1696   -8279.3323   -8279.3323    267.66693    267.66693    22212.763    22212.763    420.81995    420.81995 
   74000   -8207.3214   -8207.3214   -8277.8022   -8277.8022    272.76803    272.76803    22223.647    22223.647    467.00079    467.00079 
Loop time of 14.8383 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.823 ns/day, 4.122 hours/ns, 67.393 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    | 14.586     | 14.586     | 14.586     |   0.0 | 98.30
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.050467   | 0.050467   | 0.050467   |   0.0 |  0.34
Output  | 7.227e-05  | 7.227e-05  | 7.227e-05  |   0.0 |  0.00
Modify  | 0.16947    | 0.16947    | 0.16947    |   0.0 |  1.14
Other   |            | 0.03267    |            |       |  0.22

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:      351186.0 ave      351186 max      351186 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351186
Ave neighs/atom = 175.59300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.566966225586, Press = -1.91978124593969
next a
jump SELF top
variable a loop 2000
run 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   -8207.3214   -8207.3214   -8277.8022   -8277.8022    272.76803    272.76803    22223.647    22223.647    467.00079    467.00079 
   75000   -8205.6259   -8205.6259   -8276.9408   -8276.9408    275.99622    275.99622    22202.611    22202.611    3026.7434    3026.7434 
Loop time of 14.3749 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.010 ns/day, 3.993 hours/ns, 69.566 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    | 14.142     | 14.142     | 14.142     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046323   | 0.046323   | 0.046323   |   0.0 |  0.32
Output  | 5.4047e-05 | 5.4047e-05 | 5.4047e-05 |   0.0 |  0.00
Modify  | 0.16053    | 0.16053    | 0.16053    |   0.0 |  1.12
Other   |            | 0.02574    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5536.00 ave        5536 max        5536 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350980.0 ave      350980 max      350980 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350980
Ave neighs/atom = 175.49000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.580710520263, Press = -0.360297076955383
next a
jump SELF top
variable a loop 2000
run 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   -8205.6259   -8205.6259   -8276.9408   -8276.9408    275.99622    275.99622    22202.611    22202.611    3026.7434    3026.7434 
   76000    -8211.385    -8211.385   -8279.7918   -8279.7918    264.74137    264.74137    22232.091    22232.091   -1358.1181   -1358.1181 
Loop time of 13.5533 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.375 ns/day, 3.765 hours/ns, 73.783 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 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040523   | 0.040523   | 0.040523   |   0.0 |  0.30
Output  | 7.6265e-05 | 7.6265e-05 | 7.6265e-05 |   0.0 |  0.00
Modify  | 0.13864    | 0.13864    | 0.13864    |   0.0 |  1.02
Other   |            | 0.02046    |            |       |  0.15

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:      351546.0 ave      351546 max      351546 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351546
Ave neighs/atom = 175.77300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.572670731508, Press = -0.0112957661712872
next a
jump SELF top
variable a loop 2000
run 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    -8211.385    -8211.385   -8279.7918   -8279.7918    264.74137    264.74137    22232.091    22232.091   -1358.1181   -1358.1181 
   77000   -8206.3554   -8206.3554   -8275.6426   -8275.6426    268.14871    268.14871    22242.274    22242.274   -161.44671   -161.44671 
Loop time of 13.5589 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.372 ns/day, 3.766 hours/ns, 73.753 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    | 13.359     | 13.359     | 13.359     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040553   | 0.040553   | 0.040553   |   0.0 |  0.30
Output  | 5.9863e-05 | 5.9863e-05 | 5.9863e-05 |   0.0 |  0.00
Modify  | 0.13855    | 0.13855    | 0.13855    |   0.0 |  1.02
Other   |            | 0.02046    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5531.00 ave        5531 max        5531 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350678.0 ave      350678 max      350678 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350678
Ave neighs/atom = 175.33900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.549222381269, Press = -1.228471461679
next a
jump SELF top
variable a loop 2000
run 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   -8206.3554   -8206.3554   -8275.6426   -8275.6426    268.14871    268.14871    22242.274    22242.274   -161.44671   -161.44671 
   78000   -8207.5438   -8207.5438    -8277.811    -8277.811    271.94155    271.94155    22247.908    22247.908   -1499.0436   -1499.0436 
Loop time of 13.5688 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.368 ns/day, 3.769 hours/ns, 73.698 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    | 13.369     | 13.369     | 13.369     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040482   | 0.040482   | 0.040482   |   0.0 |  0.30
Output  | 6.1249e-05 | 6.1249e-05 | 6.1249e-05 |   0.0 |  0.00
Modify  | 0.13884    | 0.13884    | 0.13884    |   0.0 |  1.02
Other   |            | 0.02045    |            |       |  0.15

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:      350964.0 ave      350964 max      350964 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350964
Ave neighs/atom = 175.48200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.55841799945, Press = -1.12411285027222
next a
jump SELF top
variable a loop 2000
run 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   -8207.5438   -8207.5438    -8277.811    -8277.811    271.94155    271.94155    22247.908    22247.908   -1499.0436   -1499.0436 
   79000   -8207.1885   -8207.1885   -8278.1747   -8278.1747    274.72371    274.72371    22213.225    22213.225    1350.0739    1350.0739 
Loop time of 13.5562 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    | 13.356     | 13.356     | 13.356     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040366   | 0.040366   | 0.040366   |   0.0 |  0.30
Output  | 7.2696e-05 | 7.2696e-05 | 7.2696e-05 |   0.0 |  0.00
Modify  | 0.13889    | 0.13889    | 0.13889    |   0.0 |  1.02
Other   |            | 0.02041    |            |       |  0.15

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:      350412.0 ave      350412 max      350412 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350412
Ave neighs/atom = 175.20600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.540463671114, Press = -1.27130462756838
next a
jump SELF top
variable a loop 2000
run 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   -8207.1885   -8207.1885   -8278.1747   -8278.1747    274.72371    274.72371    22213.225    22213.225    1350.0739    1350.0739 
   80000    -8204.685    -8204.685    -8277.731    -8277.731    282.69558    282.69558    22239.895    22239.895   -728.55278   -728.55278 
Loop time of 13.5744 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.365 ns/day, 3.771 hours/ns, 73.668 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    | 13.375     | 13.375     | 13.375     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040588   | 0.040588   | 0.040588   |   0.0 |  0.30
Output  | 6.6088e-05 | 6.6088e-05 | 6.6088e-05 |   0.0 |  0.00
Modify  | 0.13867    | 0.13867    | 0.13867    |   0.0 |  1.02
Other   |            | 0.02054    |            |       |  0.15

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:      351268.0 ave      351268 max      351268 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351268
Ave neighs/atom = 175.63400
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 = 273.5365073432, Press = 0.0981561487819703
next a
jump SELF top
variable a loop 2000
run 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    -8204.685    -8204.685    -8277.731    -8277.731    282.69558    282.69558    22239.895    22239.895   -728.55278   -728.55278 
   81000   -8208.6253   -8208.6253   -8278.4643   -8278.4643    270.28409    270.28409    22259.055    22259.055   -3167.8587   -3167.8587 
Loop time of 13.5471 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.378 ns/day, 3.763 hours/ns, 73.817 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 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040514   | 0.040514   | 0.040514   |   0.0 |  0.30
Output  | 6.0863e-05 | 6.0863e-05 | 6.0863e-05 |   0.0 |  0.00
Modify  | 0.13858    | 0.13858    | 0.13858    |   0.0 |  1.02
Other   |            | 0.0204     |            |       |  0.15

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:      350704.0 ave      350704 max      350704 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350704
Ave neighs/atom = 175.35200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.544912791545, Press = -1.50351330677291
next a
jump SELF top
variable a loop 2000
run 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   -8208.6253   -8208.6253   -8278.4643   -8278.4643    270.28409    270.28409    22259.055    22259.055   -3167.8587   -3167.8587 
   82000    -8203.317    -8203.317   -8277.7718   -8277.7718    288.14769    288.14769    22203.521    22203.521     2703.687     2703.687 
Loop time of 13.5455 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.379 ns/day, 3.763 hours/ns, 73.825 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    | 13.346     | 13.346     | 13.346     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040407   | 0.040407   | 0.040407   |   0.0 |  0.30
Output  | 6.2624e-05 | 6.2624e-05 | 6.2624e-05 |   0.0 |  0.00
Modify  | 0.13867    | 0.13867    | 0.13867    |   0.0 |  1.02
Other   |            | 0.02048    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5535.00 ave        5535 max        5535 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350580.0 ave      350580 max      350580 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350580
Ave neighs/atom = 175.29000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.563327081847, Press = -0.982630059739358
next a
jump SELF top
variable a loop 2000
run 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    -8203.317    -8203.317   -8277.7718   -8277.7718    288.14769    288.14769    22203.521    22203.521     2703.687     2703.687 
   83000   -8207.7102   -8207.7102   -8279.0889   -8279.0889    276.24281    276.24281    22224.631    22224.631   -244.88778   -244.88778 
Loop time of 13.553 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.375 ns/day, 3.765 hours/ns, 73.785 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    | 13.353     | 13.353     | 13.353     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040325   | 0.040325   | 0.040325   |   0.0 |  0.30
Output  | 6.0706e-05 | 6.0706e-05 | 6.0706e-05 |   0.0 |  0.00
Modify  | 0.13877    | 0.13877    | 0.13877    |   0.0 |  1.02
Other   |            | 0.0205     |            |       |  0.15

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:      351516.0 ave      351516 max      351516 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351516
Ave neighs/atom = 175.75800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.581424246283, Press = -0.105414788753621
next a
jump SELF top
variable a loop 2000
run 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   -8207.7102   -8207.7102   -8279.0889   -8279.0889    276.24281    276.24281    22224.631    22224.631   -244.88778   -244.88778 
   84000   -8201.2365   -8201.2365   -8275.7353   -8275.7353    288.31814    288.31814    22216.784    22216.784    1804.9744    1804.9744 
Loop time of 13.5367 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.383 ns/day, 3.760 hours/ns, 73.873 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    | 13.337     | 13.337     | 13.337     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040461   | 0.040461   | 0.040461   |   0.0 |  0.30
Output  | 7.6346e-05 | 7.6346e-05 | 7.6346e-05 |   0.0 |  0.00
Modify  | 0.1387     | 0.1387     | 0.1387     |   0.0 |  1.02
Other   |            | 0.02056    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5540.00 ave        5540 max        5540 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350796.0 ave      350796 max      350796 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350796
Ave neighs/atom = 175.39800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.600298785011, Press = 0.34620992121529
next a
jump SELF top
variable a loop 2000
run 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   -8201.2365   -8201.2365   -8275.7353   -8275.7353    288.31814    288.31814    22216.784    22216.784    1804.9744    1804.9744 
   85000      -8207.4      -8207.4    -8277.713    -8277.713    272.11877    272.11877    22242.625    22242.625   -1489.0374   -1489.0374 
Loop time of 13.5526 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    | 13.353     | 13.353     | 13.353     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040546   | 0.040546   | 0.040546   |   0.0 |  0.30
Output  | 6.2714e-05 | 6.2714e-05 | 6.2714e-05 |   0.0 |  0.00
Modify  | 0.13878    | 0.13878    | 0.13878    |   0.0 |  1.02
Other   |            | 0.02047    |            |       |  0.15

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:      351168.0 ave      351168 max      351168 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351168
Ave neighs/atom = 175.58400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.619921483605, Press = -0.60465396553845
next a
jump SELF top
variable a loop 2000
run 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      -8207.4      -8207.4    -8277.713    -8277.713    272.11877    272.11877    22242.625    22242.625   -1489.0374   -1489.0374 
   86000   -8205.4007   -8205.4007   -8276.9966   -8276.9966    277.08354    277.08354    22215.659    22215.659    1143.6647    1143.6647 
Loop time of 13.5412 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.381 ns/day, 3.761 hours/ns, 73.849 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    | 13.342     | 13.342     | 13.342     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040506   | 0.040506   | 0.040506   |   0.0 |  0.30
Output  | 6.1042e-05 | 6.1042e-05 | 6.1042e-05 |   0.0 |  0.00
Modify  | 0.13853    | 0.13853    | 0.13853    |   0.0 |  1.02
Other   |            | 0.02039    |            |       |  0.15

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:      350574.0 ave      350574 max      350574 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350574
Ave neighs/atom = 175.28700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.614138912719, Press = -0.682381716361538
next a
jump SELF top
variable a loop 2000
run 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   -8205.4007   -8205.4007   -8276.9966   -8276.9966    277.08354    277.08354    22215.659    22215.659    1143.6647    1143.6647 
   87000   -8207.4832   -8207.4832   -8277.0058   -8277.0058    269.05961    269.05961    22251.573    22251.573   -1541.0641   -1541.0641 
Loop time of 13.536 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.383 ns/day, 3.760 hours/ns, 73.877 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    | 13.336     | 13.336     | 13.336     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040557   | 0.040557   | 0.040557   |   0.0 |  0.30
Output  | 6.2067e-05 | 6.2067e-05 | 6.2067e-05 |   0.0 |  0.00
Modify  | 0.13867    | 0.13867    | 0.13867    |   0.0 |  1.02
Other   |            | 0.02047    |            |       |  0.15

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:      350986.0 ave      350986 max      350986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350986
Ave neighs/atom = 175.49300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.593601710553, Press = -0.442518749991572
next a
jump SELF top
variable a loop 2000
run 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   -8207.4832   -8207.4832   -8277.0058   -8277.0058    269.05961    269.05961    22251.573    22251.573   -1541.0641   -1541.0641 
   88000   -8209.0124   -8209.0124   -8277.5168   -8277.5168    265.11939    265.11939     22250.51     22250.51   -1458.2116   -1458.2116 
Loop time of 13.5286 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.386 ns/day, 3.758 hours/ns, 73.918 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    | 13.329     | 13.329     | 13.329     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040518   | 0.040518   | 0.040518   |   0.0 |  0.30
Output  | 7.6207e-05 | 7.6207e-05 | 7.6207e-05 |   0.0 |  0.00
Modify  | 0.13862    | 0.13862    | 0.13862    |   0.0 |  1.02
Other   |            | 0.02045    |            |       |  0.15

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:      350514.0 ave      350514 max      350514 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350514
Ave neighs/atom = 175.25700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.593839494153, Press = -1.08582886379554
next a
jump SELF top
variable a loop 2000
run 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   -8209.0124   -8209.0124   -8277.5168   -8277.5168    265.11939    265.11939     22250.51     22250.51   -1458.2116   -1458.2116 
   89000   -8207.8073   -8207.8073   -8277.9305   -8277.9305    271.38413    271.38413    22218.047    22218.047    903.07498    903.07498 
Loop time of 13.5423 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.380 ns/day, 3.762 hours/ns, 73.843 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    | 13.343     | 13.343     | 13.343     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040403   | 0.040403   | 0.040403   |   0.0 |  0.30
Output  | 6.2501e-05 | 6.2501e-05 | 6.2501e-05 |   0.0 |  0.00
Modify  | 0.13867    | 0.13867    | 0.13867    |   0.0 |  1.02
Other   |            | 0.02046    |            |       |  0.15

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:      350632.0 ave      350632 max      350632 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350632
Ave neighs/atom = 175.31600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.582448269734, Press = -0.649857363068059
next a
jump SELF top
variable a loop 2000
run 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   -8207.8073   -8207.8073   -8277.9305   -8277.9305    271.38413    271.38413    22218.047    22218.047    903.07498    903.07498 
   90000   -8208.0622   -8208.0622   -8279.6746   -8279.6746    277.14741    277.14741    22223.748    22223.748   -359.08461   -359.08461 
Loop time of 13.5397 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.381 ns/day, 3.761 hours/ns, 73.857 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    | 13.34      | 13.34      | 13.34      |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040465   | 0.040465   | 0.040465   |   0.0 |  0.30
Output  | 6.2081e-05 | 6.2081e-05 | 6.2081e-05 |   0.0 |  0.00
Modify  | 0.13864    | 0.13864    | 0.13864    |   0.0 |  1.02
Other   |            | 0.02046    |            |       |  0.15

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:      350940.0 ave      350940 max      350940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350940
Ave neighs/atom = 175.47000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.543615429721, Press = -0.611402225906457
next a
jump SELF top
variable a loop 2000
run 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   -8208.0622   -8208.0622   -8279.6746   -8279.6746    277.14741    277.14741    22223.748    22223.748   -359.08461   -359.08461 
   91000   -8207.3449   -8207.3449   -8277.2248   -8277.2248    270.44222    270.44222    22209.853    22209.853    1269.6281    1269.6281 
Loop time of 13.5499 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.376 ns/day, 3.764 hours/ns, 73.801 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.35      | 13.35      | 13.35      |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040374   | 0.040374   | 0.040374   |   0.0 |  0.30
Output  | 6.1929e-05 | 6.1929e-05 | 6.1929e-05 |   0.0 |  0.00
Modify  | 0.13881    | 0.13881    | 0.13881    |   0.0 |  1.02
Other   |            | 0.02039    |            |       |  0.15

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:      351206.0 ave      351206 max      351206 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351206
Ave neighs/atom = 175.60300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.52319109439, Press = -0.663698258039752
next a
jump SELF top
variable a loop 2000
run 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   -8207.3449   -8207.3449   -8277.2248   -8277.2248    270.44222    270.44222    22209.853    22209.853    1269.6281    1269.6281 
   92000   -8207.7832   -8207.7832   -8277.8348   -8277.8348    271.10707    271.10707    22187.954    22187.954    3329.1763    3329.1763 
Loop time of 13.5522 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.375 ns/day, 3.765 hours/ns, 73.789 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.352     | 13.352     | 13.352     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040562   | 0.040562   | 0.040562   |   0.0 |  0.30
Output  | 6.2473e-05 | 6.2473e-05 | 6.2473e-05 |   0.0 |  0.00
Modify  | 0.13877    | 0.13877    | 0.13877    |   0.0 |  1.02
Other   |            | 0.02041    |            |       |  0.15

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:      351478.0 ave      351478 max      351478 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351478
Ave neighs/atom = 175.73900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.495545738276, Press = -0.8019679205811
next a
jump SELF top
variable a loop 2000
run 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   -8207.7832   -8207.7832   -8277.8348   -8277.8348    271.10707    271.10707    22187.954    22187.954    3329.1763    3329.1763 
   93000   -8206.1621   -8206.1621    -8277.464    -8277.464    275.94602    275.94602    22239.704    22239.704   -603.58178   -603.58178 
Loop time of 13.5512 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.376 ns/day, 3.764 hours/ns, 73.794 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    | 13.351     | 13.351     | 13.351     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040602   | 0.040602   | 0.040602   |   0.0 |  0.30
Output  | 8.136e-05  | 8.136e-05  | 8.136e-05  |   0.0 |  0.00
Modify  | 0.13863    | 0.13863    | 0.13863    |   0.0 |  1.02
Other   |            | 0.02046    |            |       |  0.15

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:      351810.0 ave      351810 max      351810 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351810
Ave neighs/atom = 175.90500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.505685221739, Press = -0.185241795632991
next a
jump SELF top
variable a loop 2000
run 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   -8206.1621   -8206.1621    -8277.464    -8277.464    275.94602    275.94602    22239.704    22239.704   -603.58178   -603.58178 
   94000    -8207.671    -8207.671   -8279.3575   -8279.3575    277.43402    277.43402    22248.607    22248.607   -2139.2035   -2139.2035 
Loop time of 13.5312 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.385 ns/day, 3.759 hours/ns, 73.903 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    | 13.332     | 13.332     | 13.332     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040345   | 0.040345   | 0.040345   |   0.0 |  0.30
Output  | 6.2596e-05 | 6.2596e-05 | 6.2596e-05 |   0.0 |  0.00
Modify  | 0.13891    | 0.13891    | 0.13891    |   0.0 |  1.03
Other   |            | 0.02039    |            |       |  0.15

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:      350790.0 ave      350790 max      350790 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350790
Ave neighs/atom = 175.39500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.490433621203, Press = -1.53427968201125
next a
jump SELF top
variable a loop 2000
run 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    -8207.671    -8207.671   -8279.3575   -8279.3575    277.43402    277.43402    22248.607    22248.607   -2139.2035   -2139.2035 
   95000   -8210.3254   -8210.3254   -8279.7675   -8279.7675    268.74826    268.74826    22172.611    22172.611    3978.8809    3978.8809 
Loop time of 13.5336 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    | 13.334     | 13.334     | 13.334     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04048    | 0.04048    | 0.04048    |   0.0 |  0.30
Output  | 6.0974e-05 | 6.0974e-05 | 6.0974e-05 |   0.0 |  0.00
Modify  | 0.13839    | 0.13839    | 0.13839    |   0.0 |  1.02
Other   |            | 0.02039    |            |       |  0.15

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:      350710.0 ave      350710 max      350710 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350710
Ave neighs/atom = 175.35500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.483959314744, Press = -0.852768178724607
next a
jump SELF top
variable a loop 2000
run 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   -8210.3254   -8210.3254   -8279.7675   -8279.7675    268.74826    268.74826    22172.611    22172.611    3978.8809    3978.8809 
   96000   -8205.4113   -8205.4113    -8277.153    -8277.153    277.64753    277.64753    22240.164    22240.164   -571.47756   -571.47756 
Loop time of 13.5515 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.376 ns/day, 3.764 hours/ns, 73.792 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    | 13.352     | 13.352     | 13.352     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040726   | 0.040726   | 0.040726   |   0.0 |  0.30
Output  | 6.2696e-05 | 6.2696e-05 | 6.2696e-05 |   0.0 |  0.00
Modify  | 0.1384     | 0.1384     | 0.1384     |   0.0 |  1.02
Other   |            | 0.02044    |            |       |  0.15

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:      352112.0 ave      352112 max      352112 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 352112
Ave neighs/atom = 176.05600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.468078704877, Press = 0.459660545978013
next a
jump SELF top
variable a loop 2000
run 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   -8205.4113   -8205.4113    -8277.153    -8277.153    277.64753    277.64753    22240.164    22240.164   -571.47756   -571.47756 
   97000   -8207.9299   -8207.9299   -8278.4096   -8278.4096    272.76361    272.76361     22256.52     22256.52   -2421.7337   -2421.7337 
Loop time of 13.5446 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.379 ns/day, 3.762 hours/ns, 73.830 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 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040473   | 0.040473   | 0.040473   |   0.0 |  0.30
Output  | 8.4443e-05 | 8.4443e-05 | 8.4443e-05 |   0.0 |  0.00
Modify  | 0.1387     | 0.1387     | 0.1387     |   0.0 |  1.02
Other   |            | 0.02051    |            |       |  0.15

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:      350702.0 ave      350702 max      350702 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350702
Ave neighs/atom = 175.35100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.443184025406, Press = -1.3343151455208
next a
jump SELF top
variable a loop 2000
run 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   -8207.9299   -8207.9299   -8278.4096   -8278.4096    272.76361    272.76361     22256.52     22256.52   -2421.7337   -2421.7337 
   98000   -8206.7182   -8206.7182    -8277.401    -8277.401    273.54987    273.54987    22221.242    22221.242    758.28024    758.28024 
Loop time of 13.5317 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.385 ns/day, 3.759 hours/ns, 73.901 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    | 13.332     | 13.332     | 13.332     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040427   | 0.040427   | 0.040427   |   0.0 |  0.30
Output  | 6.0519e-05 | 6.0519e-05 | 6.0519e-05 |   0.0 |  0.00
Modify  | 0.1385     | 0.1385     | 0.1385     |   0.0 |  1.02
Other   |            | 0.02043    |            |       |  0.15

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:      350484.0 ave      350484 max      350484 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350484
Ave neighs/atom = 175.24200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.41251280755, Press = -0.743083049953021
next a
jump SELF top
variable a loop 2000
run 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   -8206.7182   -8206.7182    -8277.401    -8277.401    273.54987    273.54987    22221.242    22221.242    758.28024    758.28024 
   99000   -8209.3439   -8209.3439   -8277.8703   -8277.8703    265.20434    265.20434     22244.26     22244.26   -801.33461   -801.33461 
Loop time of 13.5237 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.389 ns/day, 3.757 hours/ns, 73.944 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 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040444   | 0.040444   | 0.040444   |   0.0 |  0.30
Output  | 5.7227e-05 | 5.7227e-05 | 5.7227e-05 |   0.0 |  0.00
Modify  | 0.13859    | 0.13859    | 0.13859    |   0.0 |  1.02
Other   |            | 0.02037    |            |       |  0.15

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:      350936.0 ave      350936 max      350936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350936
Ave neighs/atom = 175.46800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.398655518254, Press = -0.659170003232804
next a
jump SELF top
variable a loop 2000
run 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   -8209.3439   -8209.3439   -8277.8703   -8277.8703    265.20434    265.20434     22244.26     22244.26   -801.33461   -801.33461 
  100000   -8207.4067   -8207.4067   -8277.0842   -8277.0842    269.65918    269.65918    22239.144    22239.144   -937.98832   -937.98832 
Loop time of 13.5221 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.390 ns/day, 3.756 hours/ns, 73.953 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    | 13.323     | 13.323     | 13.323     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040399   | 0.040399   | 0.040399   |   0.0 |  0.30
Output  | 6.1725e-05 | 6.1725e-05 | 6.1725e-05 |   0.0 |  0.00
Modify  | 0.13844    | 0.13844    | 0.13844    |   0.0 |  1.02
Other   |            | 0.02036    |            |       |  0.15

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:      350924.0 ave      350924 max      350924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350924
Ave neighs/atom = 175.46200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.413563462954, Press = -0.23843043263533
next a
jump SELF top
variable a loop 2000
run 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   -8207.4067   -8207.4067   -8277.0842   -8277.0842    269.65918    269.65918    22239.144    22239.144   -937.98832   -937.98832 
  101000   -8205.5066   -8205.5066   -8275.9441   -8275.9441    272.60037    272.60037    22261.182    22261.182   -1545.8115   -1545.8115 
Loop time of 13.5236 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.389 ns/day, 3.757 hours/ns, 73.945 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 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04058    | 0.04058    | 0.04058    |   0.0 |  0.30
Output  | 7.1575e-05 | 7.1575e-05 | 7.1575e-05 |   0.0 |  0.00
Modify  | 0.13837    | 0.13837    | 0.13837    |   0.0 |  1.02
Other   |            | 0.02042    |            |       |  0.15

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:      350562.0 ave      350562 max      350562 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350562
Ave neighs/atom = 175.28100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.42533141505, Press = -0.498640644807615
next a
jump SELF top
variable a loop 2000
run 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   -8205.5066   -8205.5066   -8275.9441   -8275.9441    272.60037    272.60037    22261.182    22261.182   -1545.8115   -1545.8115 
  102000   -8208.2442   -8208.2442   -8277.9783   -8277.9783    269.87832    269.87832    22201.092    22201.092    1971.2302    1971.2302 
Loop time of 13.521 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.390 ns/day, 3.756 hours/ns, 73.959 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    | 13.322     | 13.322     | 13.322     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040476   | 0.040476   | 0.040476   |   0.0 |  0.30
Output  | 6.0269e-05 | 6.0269e-05 | 6.0269e-05 |   0.0 |  0.00
Modify  | 0.13847    | 0.13847    | 0.13847    |   0.0 |  1.02
Other   |            | 0.02038    |            |       |  0.15

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:      350498.0 ave      350498 max      350498 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350498
Ave neighs/atom = 175.24900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.431751582718, Press = -1.03330225666191
next a
jump SELF top
variable a loop 2000
run 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   -8208.2442   -8208.2442   -8277.9783   -8277.9783    269.87832    269.87832    22201.092    22201.092    1971.2302    1971.2302 
  103000   -8205.8833   -8205.8833   -8277.6419   -8277.6419    277.71339    277.71339     22215.16     22215.16    1402.2022    1402.2022 
Loop time of 13.564 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.370 ns/day, 3.768 hours/ns, 73.724 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    | 13.365     | 13.365     | 13.365     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04048    | 0.04048    | 0.04048    |   0.0 |  0.30
Output  | 6.1046e-05 | 6.1046e-05 | 6.1046e-05 |   0.0 |  0.00
Modify  | 0.13842    | 0.13842    | 0.13842    |   0.0 |  1.02
Other   |            | 0.02041    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5542.00 ave        5542 max        5542 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      351506.0 ave      351506 max      351506 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351506
Ave neighs/atom = 175.75300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.405252015287, Press = -0.400572902837651
next a
jump SELF top
variable a loop 2000
run 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 
  103000   -8205.8833   -8205.8833   -8277.6419   -8277.6419    277.71339    277.71339     22215.16     22215.16    1402.2022    1402.2022 
  104000   -8208.0913   -8208.0913   -8276.7117   -8276.7117    265.56834    265.56834    22253.209    22253.209   -1513.1444   -1513.1444 
Loop time of 13.526 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.388 ns/day, 3.757 hours/ns, 73.931 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 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040388   | 0.040388   | 0.040388   |   0.0 |  0.30
Output  | 5.9574e-05 | 5.9574e-05 | 5.9574e-05 |   0.0 |  0.00
Modify  | 0.13835    | 0.13835    | 0.13835    |   0.0 |  1.02
Other   |            | 0.02036    |            |       |  0.15

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:      351362.0 ave      351362 max      351362 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351362
Ave neighs/atom = 175.68100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.404600006358, Press = 0.0933994995823877
next a
jump SELF top
variable a loop 2000
run 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 
  104000   -8208.0913   -8208.0913   -8276.7117   -8276.7117    265.56834    265.56834    22253.209    22253.209   -1513.1444   -1513.1444 
  105000   -8203.9844   -8203.9844   -8274.9488   -8274.9488    274.63989    274.63989    22267.684    22267.684   -2169.3351   -2169.3351 
Loop time of 13.5262 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.388 ns/day, 3.757 hours/ns, 73.931 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 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040408   | 0.040408   | 0.040408   |   0.0 |  0.30
Output  | 6.1117e-05 | 6.1117e-05 | 6.1117e-05 |   0.0 |  0.00
Modify  | 0.13859    | 0.13859    | 0.13859    |   0.0 |  1.02
Other   |            | 0.02035    |            |       |  0.15

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:      350580.0 ave      350580 max      350580 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350580
Ave neighs/atom = 175.29000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.421623595299, Press = -1.70635708977179
next a
jump SELF top
variable a loop 2000
run 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 
  105000   -8203.9844   -8203.9844   -8274.9488   -8274.9488    274.63989    274.63989    22267.684    22267.684   -2169.3351   -2169.3351 
  106000   -8205.3115   -8205.3115   -8277.9136   -8277.9136    280.97752    280.97752    22203.493    22203.493    2140.5464    2140.5464 
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    | 13.334     | 13.334     | 13.334     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040521   | 0.040521   | 0.040521   |   0.0 |  0.30
Output  | 8.0611e-05 | 8.0611e-05 | 8.0611e-05 |   0.0 |  0.00
Modify  | 0.13839    | 0.13839    | 0.13839    |   0.0 |  1.02
Other   |            | 0.02042    |            |       |  0.15

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:      350294.0 ave      350294 max      350294 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350294
Ave neighs/atom = 175.14700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.418146814886, Press = -0.175398842999293
next a
jump SELF top
variable a loop 2000
run 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 
  106000   -8205.3115   -8205.3115   -8277.9136   -8277.9136    280.97752    280.97752    22203.493    22203.493    2140.5464    2140.5464 
  107000   -8211.0408   -8211.0408   -8278.5855   -8278.5855    261.40484    261.40484    22239.926    22239.926   -1316.4325   -1316.4325 
Loop time of 13.5395 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.381 ns/day, 3.761 hours/ns, 73.858 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    | 13.34      | 13.34      | 13.34      |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040663   | 0.040663   | 0.040663   |   0.0 |  0.30
Output  | 6.3547e-05 | 6.3547e-05 | 6.3547e-05 |   0.0 |  0.00
Modify  | 0.13862    | 0.13862    | 0.13862    |   0.0 |  1.02
Other   |            | 0.02055    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5556.00 ave        5556 max        5556 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      351470.0 ave      351470 max      351470 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351470
Ave neighs/atom = 175.73500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.397260504817, Press = 0.0683753066465414
next a
jump SELF top
variable a loop 2000
run 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 
  107000   -8211.0408   -8211.0408   -8278.5855   -8278.5855    261.40484    261.40484    22239.926    22239.926   -1316.4325   -1316.4325 
  108000   -8206.0558   -8206.0558   -8278.3687   -8278.3687    279.85864    279.85864    22260.338    22260.338   -2835.4384   -2835.4384 
Loop time of 13.5351 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.383 ns/day, 3.760 hours/ns, 73.882 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    | 13.336     | 13.336     | 13.336     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040388   | 0.040388   | 0.040388   |   0.0 |  0.30
Output  | 6.0645e-05 | 6.0645e-05 | 6.0645e-05 |   0.0 |  0.00
Modify  | 0.13796    | 0.13796    | 0.13796    |   0.0 |  1.02
Other   |            | 0.02047    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5541.00 ave        5541 max        5541 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350688.0 ave      350688 max      350688 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350688
Ave neighs/atom = 175.34400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.385086547323, Press = -1.03859188057616
next a
jump SELF top
variable a loop 2000
run 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 
  108000   -8206.0558   -8206.0558   -8278.3687   -8278.3687    279.85864    279.85864    22260.338    22260.338   -2835.4384   -2835.4384 
  109000   -8207.5027   -8207.5027   -8277.5384   -8277.5384    271.04551    271.04551    22205.839    22205.839    1963.0845    1963.0845 
Loop time of 13.5237 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.389 ns/day, 3.757 hours/ns, 73.944 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 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040412   | 0.040412   | 0.040412   |   0.0 |  0.30
Output  | 6.2431e-05 | 6.2431e-05 | 6.2431e-05 |   0.0 |  0.00
Modify  | 0.13797    | 0.13797    | 0.13797    |   0.0 |  1.02
Other   |            | 0.02042    |            |       |  0.15

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:      350772.0 ave      350772 max      350772 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350772
Ave neighs/atom = 175.38600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.370032203528, Press = -0.324767709996152
next a
jump SELF top
variable a loop 2000
run 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 
  109000   -8207.5027   -8207.5027   -8277.5384   -8277.5384    271.04551    271.04551    22205.839    22205.839    1963.0845    1963.0845 
  110000   -8209.4846   -8209.4846   -8278.8053   -8278.8053    268.27796    268.27796    22229.106    22229.106    -227.5419    -227.5419 
Loop time of 13.5517 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.376 ns/day, 3.764 hours/ns, 73.791 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    | 13.353     | 13.353     | 13.353     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040376   | 0.040376   | 0.040376   |   0.0 |  0.30
Output  | 8.4669e-05 | 8.4669e-05 | 8.4669e-05 |   0.0 |  0.00
Modify  | 0.13818    | 0.13818    | 0.13818    |   0.0 |  1.02
Other   |            | 0.02053    |            |       |  0.15

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:      351546.0 ave      351546 max      351546 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351546
Ave neighs/atom = 175.77300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.36701272882, Press = -0.116133661872756
next a
jump SELF top
variable a loop 2000
run 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 
  110000   -8209.4846   -8209.4846   -8278.8053   -8278.8053    268.27796    268.27796    22229.106    22229.106    -227.5419    -227.5419 
  111000   -8206.6419   -8206.6419   -8277.9836   -8277.9836    276.09966    276.09966    22236.828    22236.828    -277.1027    -277.1027 
Loop time of 13.5219 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.390 ns/day, 3.756 hours/ns, 73.954 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    | 13.323     | 13.323     | 13.323     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04036    | 0.04036    | 0.04036    |   0.0 |  0.30
Output  | 6.0912e-05 | 6.0912e-05 | 6.0912e-05 |   0.0 |  0.00
Modify  | 0.13819    | 0.13819    | 0.13819    |   0.0 |  1.02
Other   |            | 0.02051    |            |       |  0.15

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:      350784.0 ave      350784 max      350784 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350784
Ave neighs/atom = 175.39200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.357132431975, Press = -0.481605741201469
next a
jump SELF top
variable a loop 2000
run 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 
  111000   -8206.6419   -8206.6419   -8277.9836   -8277.9836    276.09966    276.09966    22236.828    22236.828    -277.1027    -277.1027 
  112000   -8210.1276   -8210.1276   -8278.4092   -8278.4092    264.25686    264.25686    22243.925    22243.925   -1557.1954   -1557.1954 
Loop time of 13.534 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.384 ns/day, 3.759 hours/ns, 73.888 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 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040492   | 0.040492   | 0.040492   |   0.0 |  0.30
Output  | 6.1251e-05 | 6.1251e-05 | 6.1251e-05 |   0.0 |  0.00
Modify  | 0.13825    | 0.13825    | 0.13825    |   0.0 |  1.02
Other   |            | 0.02041    |            |       |  0.15

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:      351066.0 ave      351066 max      351066 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351066
Ave neighs/atom = 175.53300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.338089506986, Press = -0.374415430064513
next a
jump SELF top
variable a loop 2000
run 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 
  112000   -8210.1276   -8210.1276   -8278.4092   -8278.4092    264.25686    264.25686    22243.925    22243.925   -1557.1954   -1557.1954 
  113000   -8206.8068   -8206.8068   -8278.4054   -8278.4054     277.0939     277.0939    22200.739    22200.739    2483.6028    2483.6028 
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    | 13.334     | 13.334     | 13.334     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040418   | 0.040418   | 0.040418   |   0.0 |  0.30
Output  | 6.1029e-05 | 6.1029e-05 | 6.1029e-05 |   0.0 |  0.00
Modify  | 0.13824    | 0.13824    | 0.13824    |   0.0 |  1.02
Other   |            | 0.02041    |            |       |  0.15

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:      350794.0 ave      350794 max      350794 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350794
Ave neighs/atom = 175.39700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.330808262903, Press = -0.552690919849501
next a
jump SELF top
variable a loop 2000
run 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 
  113000   -8206.8068   -8206.8068   -8278.4054   -8278.4054     277.0939     277.0939    22200.739    22200.739    2483.6028    2483.6028 
  114000    -8207.056    -8207.056   -8280.2229   -8280.2229    283.16325    283.16325    22223.178    22223.178   -62.688905   -62.688905 
Loop time of 13.5411 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.381 ns/day, 3.761 hours/ns, 73.850 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.342     | 13.342     | 13.342     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040605   | 0.040605   | 0.040605   |   0.0 |  0.30
Output  | 5.9897e-05 | 5.9897e-05 | 5.9897e-05 |   0.0 |  0.00
Modify  | 0.13789    | 0.13789    | 0.13789    |   0.0 |  1.02
Other   |            | 0.02045    |            |       |  0.15

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:      351548.0 ave      351548 max      351548 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351548
Ave neighs/atom = 175.77400
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 = 273.319193190189, Press = 0.339279612107745
next a
jump SELF top
variable a loop 2000
run 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 
  114000    -8207.056    -8207.056   -8280.2229   -8280.2229    283.16325    283.16325    22223.178    22223.178   -62.688905   -62.688905 
  115000   -8209.4706   -8209.4706   -8279.3176   -8279.3176    270.31505    270.31505    22242.116    22242.116   -1575.5542   -1575.5542 
Loop time of 13.5471 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.378 ns/day, 3.763 hours/ns, 73.817 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 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040669   | 0.040669   | 0.040669   |   0.0 |  0.30
Output  | 8.1877e-05 | 8.1877e-05 | 8.1877e-05 |   0.0 |  0.00
Modify  | 0.13811    | 0.13811    | 0.13811    |   0.0 |  1.02
Other   |            | 0.02045    |            |       |  0.15

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:      351254.0 ave      351254 max      351254 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351254
Ave neighs/atom = 175.62700
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 = 273.328028478379, Press = -0.680891826283957
next a
jump SELF top
variable a loop 2000
run 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 
  115000   -8209.4706   -8209.4706   -8279.3176   -8279.3176    270.31505    270.31505    22242.116    22242.116   -1575.5542   -1575.5542 
  116000   -8206.7194   -8206.7194   -8278.3062   -8278.3062    277.04825    277.04825    22226.684    22226.684    116.60748    116.60748 
Loop time of 13.5216 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.390 ns/day, 3.756 hours/ns, 73.956 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    | 13.322     | 13.322     | 13.322     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040847   | 0.040847   | 0.040847   |   0.0 |  0.30
Output  | 5.9829e-05 | 5.9829e-05 | 5.9829e-05 |   0.0 |  0.00
Modify  | 0.13826    | 0.13826    | 0.13826    |   0.0 |  1.02
Other   |            | 0.02042    |            |       |  0.15

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:      350550.0 ave      350550 max      350550 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350550
Ave neighs/atom = 175.27500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.317875785596, Press = -0.334084024757475
next a
jump SELF top
variable a loop 2000
run 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 
  116000   -8206.7194   -8206.7194   -8278.3062   -8278.3062    277.04825    277.04825    22226.684    22226.684    116.60748    116.60748 
  117000   -8209.0774   -8209.0774   -8277.9942   -8277.9942    266.71502    266.71502    22216.759    22216.759    472.09253    472.09253 
Loop time of 13.5359 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.383 ns/day, 3.760 hours/ns, 73.878 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    | 13.336     | 13.336     | 13.336     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040673   | 0.040673   | 0.040673   |   0.0 |  0.30
Output  | 6.1686e-05 | 6.1686e-05 | 6.1686e-05 |   0.0 |  0.00
Modify  | 0.13829    | 0.13829    | 0.13829    |   0.0 |  1.02
Other   |            | 0.02042    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5531.00 ave        5531 max        5531 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      351216.0 ave      351216 max      351216 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351216
Ave neighs/atom = 175.60800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.295948824172, Press = -0.217656227735272
next a
jump SELF top
variable a loop 2000
run 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 
  117000   -8209.0774   -8209.0774   -8277.9942   -8277.9942    266.71502    266.71502    22216.759    22216.759    472.09253    472.09253 
  118000   -8204.1155   -8204.1155   -8276.0855   -8276.0855    278.53134    278.53134    22230.124    22230.124    727.55927    727.55927 
Loop time of 13.536 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.383 ns/day, 3.760 hours/ns, 73.877 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    | 13.337     | 13.337     | 13.337     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040378   | 0.040378   | 0.040378   |   0.0 |  0.30
Output  | 6.0709e-05 | 6.0709e-05 | 6.0709e-05 |   0.0 |  0.00
Modify  | 0.13802    | 0.13802    | 0.13802    |   0.0 |  1.02
Other   |            | 0.02043    |            |       |  0.15

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:      351042.0 ave      351042 max      351042 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351042
Ave neighs/atom = 175.52100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.31094483388, Press = -0.608504657638798
next a
jump SELF top
variable a loop 2000
run 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 
  118000   -8204.1155   -8204.1155   -8276.0855   -8276.0855    278.53134    278.53134    22230.124    22230.124    727.55927    727.55927 
  119000   -8206.9288   -8206.9288   -8279.0113   -8279.0113    278.96675    278.96675    22234.896    22234.896   -769.90352   -769.90352 
Loop time of 13.5271 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.387 ns/day, 3.758 hours/ns, 73.926 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    | 13.328     | 13.328     | 13.328     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040557   | 0.040557   | 0.040557   |   0.0 |  0.30
Output  | 8.2511e-05 | 8.2511e-05 | 8.2511e-05 |   0.0 |  0.00
Modify  | 0.13814    | 0.13814    | 0.13814    |   0.0 |  1.02
Other   |            | 0.02047    |            |       |  0.15

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:      350936.0 ave      350936 max      350936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350936
Ave neighs/atom = 175.46800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.320686253462, Press = -0.410736481866128
next a
jump SELF top
variable a loop 2000
run 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 
  119000   -8206.9288   -8206.9288   -8279.0113   -8279.0113    278.96675    278.96675    22234.896    22234.896   -769.90352   -769.90352 
  120000   -8207.4118   -8207.4118   -8276.5126   -8276.5126    267.42733    267.42733    22225.932    22225.932    384.23309    384.23309 
Loop time of 13.5548 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.374 ns/day, 3.765 hours/ns, 73.775 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    | 13.356     | 13.356     | 13.356     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040511   | 0.040511   | 0.040511   |   0.0 |  0.30
Output  | 6.0038e-05 | 6.0038e-05 | 6.0038e-05 |   0.0 |  0.00
Modify  | 0.13804    | 0.13804    | 0.13804    |   0.0 |  1.02
Other   |            | 0.0205     |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5531.00 ave        5531 max        5531 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350904.0 ave      350904 max      350904 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350904
Ave neighs/atom = 175.45200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.329431825863, Press = -0.549459139235174
next a
jump SELF top
variable a loop 2000
run 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 
  120000   -8207.4118   -8207.4118   -8276.5126   -8276.5126    267.42733    267.42733    22225.932    22225.932    384.23309    384.23309 
  121000   -8205.4402   -8205.4402   -8278.5382   -8278.5382    282.89658    282.89658    22214.713    22214.713    1058.0309    1058.0309 
Loop time of 13.539 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.382 ns/day, 3.761 hours/ns, 73.861 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    | 13.34      | 13.34      | 13.34      |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040379   | 0.040379   | 0.040379   |   0.0 |  0.30
Output  | 6.4089e-05 | 6.4089e-05 | 6.4089e-05 |   0.0 |  0.00
Modify  | 0.13813    | 0.13813    | 0.13813    |   0.0 |  1.02
Other   |            | 0.02045    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5539.00 ave        5539 max        5539 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      351108.0 ave      351108 max      351108 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351108
Ave neighs/atom = 175.55400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.325604144439, Press = -0.808966454468137
next a
jump SELF top
variable a loop 2000
run 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 
  121000   -8205.4402   -8205.4402   -8278.5382   -8278.5382    282.89658    282.89658    22214.713    22214.713    1058.0309    1058.0309 
  122000   -8209.6022   -8209.6022   -8278.1519   -8278.1519    265.29434    265.29434    22206.067    22206.067    1421.7593    1421.7593 
Loop time of 13.5448 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.379 ns/day, 3.762 hours/ns, 73.829 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    | 13.346     | 13.346     | 13.346     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040483   | 0.040483   | 0.040483   |   0.0 |  0.30
Output  | 6.2165e-05 | 6.2165e-05 | 6.2165e-05 |   0.0 |  0.00
Modify  | 0.13832    | 0.13832    | 0.13832    |   0.0 |  1.02
Other   |            | 0.02047    |            |       |  0.15

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:      351338.0 ave      351338 max      351338 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 351338
Ave neighs/atom = 175.66900
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"
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_T273.15.out"  else  "print 'not_converged'  file output/vol_T273.15.out"
print '${V}'  file output/vol_T273.15.out
22229.6921466458

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0