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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 3.572566911578178*${_u_distance}
variable latticeconst_converted equal 3.572566911578178*1
lattice       diamond  ${latticeconst_converted}
lattice       diamond  3.57256691157818
Lattice spacing in x,y,z = 3.5725669 3.5725669 3.5725669
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (35.725669 35.725669 35.725669)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 8000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (35.725669 35.725669 35.725669)
  create_atoms CPU = 0.004 seconds

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

kim_interactions C

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

kim interactions C
#=== BEGIN kim interactions ==================================
pair_style kim EDIP_LAMMPS_Marks_2000_C__MO_374144505645_000
pair_coeff * * C
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 12.0107

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 45597.5086795971    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 45597.5086795971/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 45597.5086795971/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 45597.5086795971/(1*1*${_u_distance})
variable      V0_metal equal 45597.5086795971/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 45597.5086795971*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 45597.5086795971 Angstroms^3

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

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

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

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

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

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

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

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

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

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

Your simulation uses code contributions which should be cited:

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

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

- OpenKIM potential: https://openkim.org/cite/MO_374144505645_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 = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -58511.505   -58511.505    -58773.25    -58773.25       253.15       253.15    45597.509    45597.509     6131.425     6131.425 
    1000   -58221.994   -58221.994   -58494.381   -58494.381    263.44261    263.44261     45781.33     45781.33    3148.7249    3148.7249 
Loop time of 5477.15 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1521.430 hours/ns, 0.183 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5476.2     | 5476.2     | 5476.2     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16609    | 0.16609    | 0.16609    |   0.0 |  0.00
Output  | 0.00026289 | 0.00026289 | 0.00026289 |   0.0 |  0.00
Modify  | 0.6219     | 0.6219     | 0.6219     |   0.0 |  0.01
Other   |            | 0.1432     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      976000.0 ave      976000 max      976000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 976000
Ave neighs/atom = 122.00000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -58221.994   -58221.994   -58494.381   -58494.381    263.44261    263.44261     45781.33     45781.33    3148.7249    3148.7249 
    2000   -58250.038   -58250.038   -58511.237   -58511.237     252.6219     252.6219    45784.876    45784.876    1754.2889    1754.2889 
Loop time of 5316.17 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1476.714 hours/ns, 0.188 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5315.3     | 5315.3     | 5315.3     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16362    | 0.16362    | 0.16362    |   0.0 |  0.00
Output  | 0.00016309 | 0.00016309 | 0.00016309 |   0.0 |  0.00
Modify  | 0.60781    | 0.60781    | 0.60781    |   0.0 |  0.01
Other   |            | 0.138      |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975824.0 ave      975824 max      975824 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975824
Ave neighs/atom = 121.97800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -58250.038   -58250.038   -58511.237   -58511.237     252.6219     252.6219    45784.876    45784.876    1754.2889    1754.2889 
    3000   -58236.909   -58236.909   -58509.082   -58509.082    263.23524    263.23524    45797.278    45797.278    1098.2366    1098.2366 
Loop time of 5355.35 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1487.597 hours/ns, 0.187 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    | 5354.4     | 5354.4     | 5354.4     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16514    | 0.16514    | 0.16514    |   0.0 |  0.00
Output  | 0.00016323 | 0.00016323 | 0.00016323 |   0.0 |  0.00
Modify  | 0.62122    | 0.62122    | 0.62122    |   0.0 |  0.01
Other   |            | 0.1416     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975858.0 ave      975858 max      975858 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975858
Ave neighs/atom = 121.98225
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -58236.909   -58236.909   -58509.082   -58509.082    263.23524    263.23524    45797.278    45797.278    1098.2366    1098.2366 
    4000   -58241.809   -58241.809   -58505.655   -58505.655    255.18232    255.18232    45795.219    45795.219    1181.1024    1181.1024 
Loop time of 5338.75 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1482.987 hours/ns, 0.187 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5337.8     | 5337.8     | 5337.8     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16272    | 0.16272    | 0.16272    |   0.0 |  0.00
Output  | 0.00026959 | 0.00026959 | 0.00026959 |   0.0 |  0.00
Modify  | 0.60963    | 0.60963    | 0.60963    |   0.0 |  0.01
Other   |            | 0.1331     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975876.0 ave      975876 max      975876 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975876
Ave neighs/atom = 121.98450
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -58241.809   -58241.809   -58505.655   -58505.655    255.18232    255.18232    45795.219    45795.219    1181.1024    1181.1024 
    5000   -58243.363   -58243.363   -58500.381   -58500.381    248.57788    248.57788    45785.491    45785.491    1980.5016    1980.5016 
Loop time of 5489.44 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1524.843 hours/ns, 0.182 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    | 5488.4     | 5488.4     | 5488.4     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1819     | 0.1819     | 0.1819     |   0.0 |  0.00
Output  | 0.00012764 | 0.00012764 | 0.00012764 |   0.0 |  0.00
Modify  | 0.68468    | 0.68468    | 0.68468    |   0.0 |  0.01
Other   |            | 0.173      |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975830.0 ave      975830 max      975830 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975830
Ave neighs/atom = 121.97875
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.204579386427, Press = -432.720327489669
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -58243.363   -58243.363   -58500.381   -58500.381    248.57788    248.57788    45785.491    45785.491    1980.5016    1980.5016 
    6000   -58237.076   -58237.076   -58500.801   -58500.801    255.06476    255.06476    45772.196    45772.196    3336.9613    3336.9613 
Loop time of 5459.13 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1516.424 hours/ns, 0.183 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    | 5458.1     | 5458.1     | 5458.1     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.17339    | 0.17339    | 0.17339    |   0.0 |  0.00
Output  | 0.0001603  | 0.0001603  | 0.0001603  |   0.0 |  0.00
Modify  | 0.67348    | 0.67348    | 0.67348    |   0.0 |  0.01
Other   |            | 0.1582     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975770.0 ave      975770 max      975770 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975770
Ave neighs/atom = 121.97125
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.781345806926, Press = -53.2139254792397
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -58237.076   -58237.076   -58500.801   -58500.801    255.06476    255.06476    45772.196    45772.196    3336.9613    3336.9613 
    7000    -58245.78    -58245.78   -58507.459   -58507.459    253.08571    253.08571    45770.121    45770.121    3220.6646    3220.6646 
Loop time of 5310.02 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1475.005 hours/ns, 0.188 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    | 5308.8     | 5308.8     | 5308.8     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.19898    | 0.19898    | 0.19898    |   0.0 |  0.00
Output  | 0.0001254  | 0.0001254  | 0.0001254  |   0.0 |  0.00
Modify  | 0.73696    | 0.73696    | 0.73696    |   0.0 |  0.01
Other   |            | 0.2515     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975824.0 ave      975824 max      975824 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975824
Ave neighs/atom = 121.97800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.052297023854, Press = -27.4703036018359
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000    -58245.78    -58245.78   -58507.459   -58507.459    253.08571    253.08571    45770.121    45770.121    3220.6646    3220.6646 
    8000   -58236.725   -58236.725   -58500.895   -58500.895    255.49542    255.49542    45786.758    45786.758    2136.7757    2136.7757 
Loop time of 5374.47 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1492.909 hours/ns, 0.186 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    | 5373.5     | 5373.5     | 5373.5     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.17519    | 0.17519    | 0.17519    |   0.0 |  0.00
Output  | 0.00012083 | 0.00012083 | 0.00012083 |   0.0 |  0.00
Modify  | 0.67028    | 0.67028    | 0.67028    |   0.0 |  0.01
Other   |            | 0.16       |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975866.0 ave      975866 max      975866 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975866
Ave neighs/atom = 121.98325
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.091267628884, Press = -16.9447121279755
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -58236.725   -58236.725   -58500.895   -58500.895    255.49542    255.49542    45786.758    45786.758    2136.7757    2136.7757 
    9000   -58244.248   -58244.248   -58507.545   -58507.545    254.65041    254.65041    45788.021    45788.021    1550.4523    1550.4523 
Loop time of 5288.77 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1469.103 hours/ns, 0.189 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5287.9     | 5287.9     | 5287.9     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15683    | 0.15683    | 0.15683    |   0.0 |  0.00
Output  | 0.00011389 | 0.00011389 | 0.00011389 |   0.0 |  0.00
Modify  | 0.61052    | 0.61052    | 0.61052    |   0.0 |  0.01
Other   |            | 0.1225     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975826.0 ave      975826 max      975826 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975826
Ave neighs/atom = 121.97825
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.058787402519, Press = -12.0426723405978
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -58244.248   -58244.248   -58507.545   -58507.545    254.65041    254.65041    45788.021    45788.021    1550.4523    1550.4523 
   10000   -58240.966   -58240.966   -58505.338   -58505.338    255.69057    255.69057    45790.982    45790.982     1759.901     1759.901 
Loop time of 5280.43 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1466.785 hours/ns, 0.189 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5279.5     | 5279.5     | 5279.5     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15641    | 0.15641    | 0.15641    |   0.0 |  0.00
Output  | 0.00013118 | 0.00013118 | 0.00013118 |   0.0 |  0.00
Modify  | 0.60833    | 0.60833    | 0.60833    |   0.0 |  0.01
Other   |            | 0.1218     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975804.0 ave      975804 max      975804 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975804
Ave neighs/atom = 121.97550
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.13758038733, Press = -10.0355439957805
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -58240.966   -58240.966   -58505.338   -58505.338    255.69057    255.69057    45790.982    45790.982     1759.901     1759.901 
   11000   -58236.925   -58236.925   -58500.554   -58500.554     254.9722     254.9722    45791.978    45791.978    1695.0555    1695.0555 
Loop time of 5288.7 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1469.084 hours/ns, 0.189 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5287.8     | 5287.8     | 5287.8     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1579     | 0.1579     | 0.1579     |   0.0 |  0.00
Output  | 0.00012889 | 0.00012889 | 0.00012889 |   0.0 |  0.00
Modify  | 0.6134     | 0.6134     | 0.6134     |   0.0 |  0.01
Other   |            | 0.1258     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975852.0 ave      975852 max      975852 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975852
Ave neighs/atom = 121.98150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.107717347012, Press = -9.31395709486379
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -58236.925   -58236.925   -58500.554   -58500.554     254.9722     254.9722    45791.978    45791.978    1695.0555    1695.0555 
   12000    -58242.47    -58242.47   -58502.335   -58502.335    251.33134    251.33134    45784.372    45784.372    2002.1003    2002.1003 
Loop time of 5282.15 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1467.264 hours/ns, 0.189 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5281.3     | 5281.3     | 5281.3     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15724    | 0.15724    | 0.15724    |   0.0 |  0.00
Output  | 0.00012019 | 0.00012019 | 0.00012019 |   0.0 |  0.00
Modify  | 0.61115    | 0.61115    | 0.61115    |   0.0 |  0.01
Other   |            | 0.1249     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975792.0 ave      975792 max      975792 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975792
Ave neighs/atom = 121.97400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.257747331093, Press = -9.46849834781654
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000    -58242.47    -58242.47   -58502.335   -58502.335    251.33134    251.33134    45784.372    45784.372    2002.1003    2002.1003 
   13000   -58235.671   -58235.671   -58498.829   -58498.829    254.51701    254.51701    45773.944    45773.944    3159.1514    3159.1514 
Loop time of 5287.23 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1468.675 hours/ns, 0.189 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5286.3     | 5286.3     | 5286.3     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15991    | 0.15991    | 0.15991    |   0.0 |  0.00
Output  | 0.00012967 | 0.00012967 | 0.00012967 |   0.0 |  0.00
Modify  | 0.61608    | 0.61608    | 0.61608    |   0.0 |  0.01
Other   |            | 0.1284     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975818.0 ave      975818 max      975818 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975818
Ave neighs/atom = 121.97725
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.337368141594, Press = -10.8841276104131
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -58235.671   -58235.671   -58498.829   -58498.829    254.51701    254.51701    45773.944    45773.944    3159.1514    3159.1514 
   14000   -58244.438   -58244.438   -58503.978   -58503.978    251.01733    251.01733    45779.708    45779.708    2461.6595    2461.6595 
Loop time of 5289.97 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1469.435 hours/ns, 0.189 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5289       | 5289       | 5289       |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16219    | 0.16219    | 0.16219    |   0.0 |  0.00
Output  | 0.00011218 | 0.00011218 | 0.00011218 |   0.0 |  0.00
Modify  | 0.62281    | 0.62281    | 0.62281    |   0.0 |  0.01
Other   |            | 0.1321     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975850.0 ave      975850 max      975850 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975850
Ave neighs/atom = 121.98125
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.353235851538, Press = -9.04804565227081
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -58244.438   -58244.438   -58503.978   -58503.978    251.01733    251.01733    45779.708    45779.708    2461.6595    2461.6595 
   15000   -58237.584   -58237.584   -58498.775   -58498.775    252.61449    252.61449    45798.867    45798.867    1040.1767    1040.1767 
Loop time of 5289.14 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1469.206 hours/ns, 0.189 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5288.2     | 5288.2     | 5288.2     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15824    | 0.15824    | 0.15824    |   0.0 |  0.00
Output  | 0.00011502 | 0.00011502 | 0.00011502 |   0.0 |  0.00
Modify  | 0.61399    | 0.61399    | 0.61399    |   0.0 |  0.01
Other   |            | 0.1266     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975812.0 ave      975812 max      975812 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975812
Ave neighs/atom = 121.97650
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.341596140284, Press = -5.54118755513168
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -58237.584   -58237.584   -58498.775   -58498.775    252.61449    252.61449    45798.867    45798.867    1040.1767    1040.1767 
   16000   -58241.537   -58241.537   -58502.384   -58502.384    252.28114    252.28114    45799.144    45799.144    885.39233    885.39233 
Loop time of 5272.54 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1464.594 hours/ns, 0.190 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5271.5     | 5271.5     | 5271.5     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.17359    | 0.17359    | 0.17359    |   0.0 |  0.00
Output  | 0.00011928 | 0.00011928 | 0.00011928 |   0.0 |  0.00
Modify  | 0.65985    | 0.65985    | 0.65985    |   0.0 |  0.01
Other   |            | 0.1593     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975756.0 ave      975756 max      975756 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975756
Ave neighs/atom = 121.96950
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.333870089738, Press = -4.62665443925632
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -58241.537   -58241.537   -58502.384   -58502.384    252.28114    252.28114    45799.144    45799.144    885.39233    885.39233 
   17000   -58237.289   -58237.289   -58499.454   -58499.454    253.55637    253.55637    45796.948    45796.948    1283.4529    1283.4529 
Loop time of 5437.75 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1510.485 hours/ns, 0.184 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    | 5436.6     | 5436.6     | 5436.6     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1906     | 0.1906     | 0.1906     |   0.0 |  0.00
Output  | 0.00016816 | 0.00016816 | 0.00016816 |   0.0 |  0.00
Modify  | 0.72089    | 0.72089    | 0.72089    |   0.0 |  0.01
Other   |            | 0.1904     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975836.0 ave      975836 max      975836 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975836
Ave neighs/atom = 121.97950
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.409960568746, Press = -4.73776314539886
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -58237.289   -58237.289   -58499.454   -58499.454    253.55637    253.55637    45796.948    45796.948    1283.4529    1283.4529 
   18000   -58245.422   -58245.422   -58503.443   -58503.443    249.54858    249.54858    45779.057    45779.057    2457.5905    2457.5905 
Loop time of 5310.81 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1475.225 hours/ns, 0.188 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    | 5309.7     | 5309.7     | 5309.7     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.18398    | 0.18398    | 0.18398    |   0.0 |  0.00
Output  | 0.00012651 | 0.00012651 | 0.00012651 |   0.0 |  0.00
Modify  | 0.6955     | 0.6955     | 0.6955     |   0.0 |  0.01
Other   |            | 0.182      |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975832.0 ave      975832 max      975832 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975832
Ave neighs/atom = 121.97900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.390774355738, Press = -6.01954231324947
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -58245.422   -58245.422   -58503.443   -58503.443    249.54858    249.54858    45779.057    45779.057    2457.5905    2457.5905 
   19000   -58241.472   -58241.472   -58500.084   -58500.084    250.11992    250.11992    45778.268    45778.268    2929.5049    2929.5049 
Loop time of 5489.27 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1524.797 hours/ns, 0.182 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    | 5488.1     | 5488.1     | 5488.1     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.19464    | 0.19464    | 0.19464    |   0.0 |  0.00
Output  | 0.00014202 | 0.00014202 | 0.00014202 |   0.0 |  0.00
Modify  | 0.73968    | 0.73968    | 0.73968    |   0.0 |  0.01
Other   |            | 0.1997     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975756.0 ave      975756 max      975756 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975756
Ave neighs/atom = 121.96950
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.344288391695, Press = -5.83524589922817
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -58241.472   -58241.472   -58500.084   -58500.084    250.11992    250.11992    45778.268    45778.268    2929.5049    2929.5049 
   20000   -58247.484   -58247.484   -58508.075   -58508.075    252.03347    252.03347    45783.432    45783.432    2161.9336    2161.9336 
Loop time of 5427.99 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1507.774 hours/ns, 0.184 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5426.8     | 5426.8     | 5426.8     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.19537    | 0.19537    | 0.19537    |   0.0 |  0.00
Output  | 0.00011976 | 0.00011976 | 0.00011976 |   0.0 |  0.00
Modify  | 0.74054    | 0.74054    | 0.74054    |   0.0 |  0.01
Other   |            | 0.203      |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975812.0 ave      975812 max      975812 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975812
Ave neighs/atom = 121.97650
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.31413548859, Press = -4.73006112176646
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -58247.484   -58247.484   -58508.075   -58508.075    252.03347    252.03347    45783.432    45783.432    2161.9336    2161.9336 
   21000   -58240.183   -58240.183     -58502.8     -58502.8    253.99398    253.99398    45790.243    45790.243    1667.7562    1667.7562 
Loop time of 5443.1 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1511.972 hours/ns, 0.184 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    | 5442.1     | 5442.1     | 5442.1     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1772     | 0.1772     | 0.1772     |   0.0 |  0.00
Output  | 0.00013406 | 0.00013406 | 0.00013406 |   0.0 |  0.00
Modify  | 0.67808    | 0.67808    | 0.67808    |   0.0 |  0.01
Other   |            | 0.1603     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975862.0 ave      975862 max      975862 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975862
Ave neighs/atom = 121.98275
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.235796342887, Press = -4.04757648589008
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -58240.183   -58240.183     -58502.8     -58502.8    253.99398    253.99398    45790.243    45790.243    1667.7562    1667.7562 
   22000    -58244.27    -58244.27   -58505.114   -58505.114    252.27863    252.27863     45790.13     45790.13    1534.4953    1534.4953 
Loop time of 5441.3 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1511.472 hours/ns, 0.184 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5440.1     | 5440.1     | 5440.1     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.20255    | 0.20255    | 0.20255    |   0.0 |  0.00
Output  | 0.00013327 | 0.00013327 | 0.00013327 |   0.0 |  0.00
Modify  | 0.76317    | 0.76317    | 0.76317    |   0.0 |  0.01
Other   |            | 0.2191     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975814.0 ave      975814 max      975814 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975814
Ave neighs/atom = 121.97675
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.223376567568, Press = -3.79517202731179
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000    -58244.27    -58244.27   -58505.114   -58505.114    252.27863    252.27863     45790.13     45790.13    1534.4953    1534.4953 
   23000   -58238.802   -58238.802   -58500.889   -58500.889    253.48131    253.48131     45796.48     45796.48    1186.0206    1186.0206 
Loop time of 5441.85 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1511.625 hours/ns, 0.184 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5440.7     | 5440.7     | 5440.7     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.20224    | 0.20224    | 0.20224    |   0.0 |  0.00
Output  | 0.00012252 | 0.00012252 | 0.00012252 |   0.0 |  0.00
Modify  | 0.76603    | 0.76603    | 0.76603    |   0.0 |  0.01
Other   |            | 0.2186     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975822.0 ave      975822 max      975822 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975822
Ave neighs/atom = 121.97775
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.272006335544, Press = -3.55642015236658
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -58238.802   -58238.802   -58500.889   -58500.889    253.48131    253.48131     45796.48     45796.48    1186.0206    1186.0206 
   24000   -58238.311   -58238.311   -58503.916   -58503.916    256.88411    256.88411    45797.916    45797.916    1178.6477    1178.6477 
Loop time of 5358.48 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1488.467 hours/ns, 0.187 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    | 5357.4     | 5357.4     | 5357.4     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.19091    | 0.19091    | 0.19091    |   0.0 |  0.00
Output  | 0.00012082 | 0.00012082 | 0.00012082 |   0.0 |  0.00
Modify  | 0.71984    | 0.71984    | 0.71984    |   0.0 |  0.01
Other   |            | 0.1945     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975816.0 ave      975816 max      975816 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975816
Ave neighs/atom = 121.97700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.28388423355, Press = -3.12471651992843
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -58238.311   -58238.311   -58503.916   -58503.916    256.88411    256.88411    45797.916    45797.916    1178.6477    1178.6477 
   25000   -58243.634   -58243.634   -58504.916   -58504.916    252.70315    252.70315    45794.491    45794.491    1238.8067    1238.8067 
Loop time of 5382.43 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1495.119 hours/ns, 0.186 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    | 5381.3     | 5381.3     | 5381.3     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.19472    | 0.19472    | 0.19472    |   0.0 |  0.00
Output  | 0.00020291 | 0.00020291 | 0.00020291 |   0.0 |  0.00
Modify  | 0.73795    | 0.73795    | 0.73795    |   0.0 |  0.01
Other   |            | 0.2035     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975816.0 ave      975816 max      975816 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975816
Ave neighs/atom = 121.97700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.334428500981, Press = -3.07221272307805
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -58243.634   -58243.634   -58504.916   -58504.916    252.70315    252.70315    45794.491    45794.491    1238.8067    1238.8067 
   26000   -58237.383   -58237.383   -58500.721   -58500.721    254.69075    254.69075    45783.703    45783.703    2505.4359    2505.4359 
Loop time of 5350.56 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1486.267 hours/ns, 0.187 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5349.4     | 5349.4     | 5349.4     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.20533    | 0.20533    | 0.20533    |   0.0 |  0.00
Output  | 0.00011733 | 0.00011733 | 0.00011733 |   0.0 |  0.00
Modify  | 0.75773    | 0.75773    | 0.75773    |   0.0 |  0.01
Other   |            | 0.2209     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975804.0 ave      975804 max      975804 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975804
Ave neighs/atom = 121.97550
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.354122549034, Press = -3.68927213715676
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -58237.383   -58237.383   -58500.721   -58500.721    254.69075    254.69075    45783.703    45783.703    2505.4359    2505.4359 
   27000   -58240.336   -58240.336   -58504.186   -58504.186    255.18579    255.18579    45775.376    45775.376    3014.4992    3014.4992 
Loop time of 5379.42 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1494.283 hours/ns, 0.186 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5378.5     | 5378.5     | 5378.5     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16889    | 0.16889    | 0.16889    |   0.0 |  0.00
Output  | 0.00019709 | 0.00019709 | 0.00019709 |   0.0 |  0.00
Modify  | 0.6505     | 0.6505     | 0.6505     |   0.0 |  0.01
Other   |            | 0.1449     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975812.0 ave      975812 max      975812 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975812
Ave neighs/atom = 121.97650
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.319376447677, Press = -4.27206191220656
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -58240.336   -58240.336   -58504.186   -58504.186    255.18579    255.18579    45775.376    45775.376    3014.4992    3014.4992 
   28000   -58244.076   -58244.076   -58505.592   -58505.592    252.92847    252.92847    45792.274    45792.274    1387.9139    1387.9139 
Loop time of 5355.83 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1487.729 hours/ns, 0.187 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5354.9     | 5354.9     | 5354.9     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16174    | 0.16174    | 0.16174    |   0.0 |  0.00
Output  | 0.00013899 | 0.00013899 | 0.00013899 |   0.0 |  0.00
Modify  | 0.63074    | 0.63074    | 0.63074    |   0.0 |  0.01
Other   |            | 0.1326     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975828.0 ave      975828 max      975828 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975828
Ave neighs/atom = 121.97850
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.283894869389, Press = -3.17134696950878
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -58244.076   -58244.076   -58505.592   -58505.592    252.92847    252.92847    45792.274    45792.274    1387.9139    1387.9139 
   29000   -58238.472   -58238.472   -58499.803   -58499.803    252.74974    252.74974    45804.185    45804.185    690.33093    690.33093 
Loop time of 5383.53 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1495.424 hours/ns, 0.186 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    | 5382.4     | 5382.4     | 5382.4     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.19608    | 0.19608    | 0.19608    |   0.0 |  0.00
Output  | 0.00011774 | 0.00011774 | 0.00011774 |   0.0 |  0.00
Modify  | 0.73101    | 0.73101    | 0.73101    |   0.0 |  0.01
Other   |            | 0.2026     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975828.0 ave      975828 max      975828 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975828
Ave neighs/atom = 121.97850
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.23359075698, Press = -2.37762706480083
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -58238.472   -58238.472   -58499.803   -58499.803    252.74974    252.74974    45804.185    45804.185    690.33093    690.33093 
   30000     -58237.8     -58237.8   -58498.273   -58498.273       251.92       251.92    45803.854    45803.854     827.2767     827.2767 
Loop time of 5348.21 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1485.615 hours/ns, 0.187 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5347.3     | 5347.3     | 5347.3     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16511    | 0.16511    | 0.16511    |   0.0 |  0.00
Output  | 0.00018508 | 0.00018508 | 0.00018508 |   0.0 |  0.00
Modify  | 0.63518    | 0.63518    | 0.63518    |   0.0 |  0.01
Other   |            | 0.139      |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975796.0 ave      975796 max      975796 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975796
Ave neighs/atom = 121.97450
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.218132566686, Press = -2.40373063490213
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000     -58237.8     -58237.8   -58498.273   -58498.273       251.92       251.92    45803.854    45803.854     827.2767     827.2767 
   31000   -58241.332   -58241.332    -58501.21    -58501.21    251.34418    251.34418    45798.878    45798.878    950.35705    950.35705 
Loop time of 5153.64 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1431.566 hours/ns, 0.194 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5152.8     | 5152.8     | 5152.8     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15142    | 0.15142    | 0.15142    |   0.0 |  0.00
Output  | 0.00012176 | 0.00012176 | 0.00012176 |   0.0 |  0.00
Modify  | 0.58614    | 0.58614    | 0.58614    |   0.0 |  0.01
Other   |            | 0.1187     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975804.0 ave      975804 max      975804 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975804
Ave neighs/atom = 121.97550
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.266091093058, Press = -2.81874669985306
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -58241.332   -58241.332    -58501.21    -58501.21    251.34418    251.34418    45798.878    45798.878    950.35705    950.35705 
   32000   -58235.212   -58235.212   -58500.417   -58500.417    256.49672    256.49672    45793.498    45793.498     1544.958     1544.958 
Loop time of 5147.49 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1429.858 hours/ns, 0.194 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5146.6     | 5146.6     | 5146.6     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15104    | 0.15104    | 0.15104    |   0.0 |  0.00
Output  | 0.00012195 | 0.00012195 | 0.00012195 |   0.0 |  0.00
Modify  | 0.58262    | 0.58262    | 0.58262    |   0.0 |  0.01
Other   |            | 0.1176     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975808.0 ave      975808 max      975808 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975808
Ave neighs/atom = 121.97600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.274918626392, Press = -3.78089909587243
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -58235.212   -58235.212   -58500.417   -58500.417    256.49672    256.49672    45793.498    45793.498     1544.958     1544.958 
   33000   -58243.983   -58243.983   -58504.414   -58504.414    251.87887    251.87887    45789.178    45789.178    1668.7105    1668.7105 
Loop time of 5145.08 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1429.189 hours/ns, 0.194 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5144.2     | 5144.2     | 5144.2     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15054    | 0.15054    | 0.15054    |   0.0 |  0.00
Output  | 0.00011926 | 0.00011926 | 0.00011926 |   0.0 |  0.00
Modify  | 0.58321    | 0.58321    | 0.58321    |   0.0 |  0.01
Other   |            | 0.1172     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975790.0 ave      975790 max      975790 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975790
Ave neighs/atom = 121.97375
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.300368619178, Press = -4.09643890990243
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -58243.983   -58243.983   -58504.414   -58504.414    251.87887    251.87887    45789.178    45789.178    1668.7105    1668.7105 
   34000   -58246.181   -58246.181   -58508.101   -58508.101     253.3192     253.3192    45803.279    45803.279    342.42493    342.42493 
Loop time of 5301.42 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1472.616 hours/ns, 0.189 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5300.5     | 5300.5     | 5300.5     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16139    | 0.16139    | 0.16139    |   0.0 |  0.00
Output  | 0.000122   | 0.000122   | 0.000122   |   0.0 |  0.00
Modify  | 0.61816    | 0.61816    | 0.61816    |   0.0 |  0.01
Other   |            | 0.1307     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975842.0 ave      975842 max      975842 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975842
Ave neighs/atom = 121.98025
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.295098616825, Press = -2.19292830659252
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -58246.181   -58246.181   -58508.101   -58508.101     253.3192     253.3192    45803.279    45803.279    342.42493    342.42493 
   35000   -58240.151   -58240.151   -58504.992   -58504.992    256.14485    256.14485     45808.76     45808.76    32.946624    32.946624 
Loop time of 5453.73 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1514.926 hours/ns, 0.183 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5452.8     | 5452.8     | 5452.8     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16722    | 0.16722    | 0.16722    |   0.0 |  0.00
Output  | 0.00011842 | 0.00011842 | 0.00011842 |   0.0 |  0.00
Modify  | 0.65179    | 0.65179    | 0.65179    |   0.0 |  0.01
Other   |            | 0.1433     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975880.0 ave      975880 max      975880 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975880
Ave neighs/atom = 121.98500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.247868620055, Press = -1.83818812623793
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -58240.151   -58240.151   -58504.992   -58504.992    256.14485    256.14485     45808.76     45808.76    32.946624    32.946624 
   36000   -58247.266   -58247.266   -58508.231   -58508.231    252.39587    252.39587    45805.997    45805.997    159.58536    159.58536 
Loop time of 5288.5 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1469.028 hours/ns, 0.189 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5287.6     | 5287.6     | 5287.6     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16039    | 0.16039    | 0.16039    |   0.0 |  0.00
Output  | 0.00012705 | 0.00012705 | 0.00012705 |   0.0 |  0.00
Modify  | 0.61306    | 0.61306    | 0.61306    |   0.0 |  0.01
Other   |            | 0.1272     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975828.0 ave      975828 max      975828 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975828
Ave neighs/atom = 121.97850
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.219223492281, Press = -2.00644223185783
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -58247.266   -58247.266   -58508.231   -58508.231    252.39587    252.39587    45805.997    45805.997    159.58536    159.58536 
   37000   -58242.375   -58242.375   -58500.355   -58500.355    249.50874    249.50874     45805.03     45805.03     600.9592     600.9592 
Loop time of 5178.87 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1438.576 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5178       | 5178       | 5178       |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15384    | 0.15384    | 0.15384    |   0.0 |  0.00
Output  | 0.00012124 | 0.00012124 | 0.00012124 |   0.0 |  0.00
Modify  | 0.59103    | 0.59103    | 0.59103    |   0.0 |  0.01
Other   |            | 0.1173     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975826.0 ave      975826 max      975826 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975826
Ave neighs/atom = 121.97825
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.21128851252, Press = -2.65602246142886
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -58242.375   -58242.375   -58500.355   -58500.355    249.50874    249.50874     45805.03     45805.03     600.9592     600.9592 
   38000   -58234.536   -58234.536   -58499.182   -58499.182    255.95602    255.95602    45806.714    45806.714    539.93464    539.93464 
Loop time of 5171.38 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1436.493 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5170.5     | 5170.5     | 5170.5     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15296    | 0.15296    | 0.15296    |   0.0 |  0.00
Output  | 0.0001199  | 0.0001199  | 0.0001199  |   0.0 |  0.00
Modify  | 0.58998    | 0.58998    | 0.58998    |   0.0 |  0.01
Other   |            | 0.1198     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975772.0 ave      975772 max      975772 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975772
Ave neighs/atom = 121.97150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.227336447488, Press = -3.40535722227398
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -58234.536   -58234.536   -58499.182   -58499.182    255.95602    255.95602    45806.714    45806.714    539.93464    539.93464 
   39000   -58241.851   -58241.851   -58501.089   -58501.089     250.7257     250.7257    45807.263    45807.263    396.86399    396.86399 
Loop time of 5188.41 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1441.226 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5187.5     | 5187.5     | 5187.5     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15381    | 0.15381    | 0.15381    |   0.0 |  0.00
Output  | 0.0001199  | 0.0001199  | 0.0001199  |   0.0 |  0.00
Modify  | 0.5921     | 0.5921     | 0.5921     |   0.0 |  0.01
Other   |            | 0.1198     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975808.0 ave      975808 max      975808 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975808
Ave neighs/atom = 121.97600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.246167962664, Press = -3.12913085592722
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -58241.851   -58241.851   -58501.089   -58501.089     250.7257     250.7257    45807.263    45807.263    396.86399    396.86399 
   40000   -58243.754   -58243.754   -58498.888   -58498.888     246.7562     246.7562     45808.45     45808.45    206.16362    206.16362 
Loop time of 5179.07 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1438.630 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5178.2     | 5178.2     | 5178.2     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15338    | 0.15338    | 0.15338    |   0.0 |  0.00
Output  | 0.0001198  | 0.0001198  | 0.0001198  |   0.0 |  0.00
Modify  | 0.58952    | 0.58952    | 0.58952    |   0.0 |  0.01
Other   |            | 0.1184     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975840.0 ave      975840 max      975840 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975840
Ave neighs/atom = 121.98000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.271662038609, Press = -2.29697966504295
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -58243.754   -58243.754   -58498.888   -58498.888     246.7562     246.7562     45808.45     45808.45    206.16362    206.16362 
   41000   -58237.879   -58237.879   -58500.243   -58500.243    253.74825    253.74825    45812.377    45812.377    105.48136    105.48136 
Loop time of 5199.23 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1444.229 hours/ns, 0.192 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5198.4     | 5198.4     | 5198.4     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15344    | 0.15344    | 0.15344    |   0.0 |  0.00
Output  | 0.00012142 | 0.00012142 | 0.00012142 |   0.0 |  0.00
Modify  | 0.59132    | 0.59132    | 0.59132    |   0.0 |  0.01
Other   |            | 0.1186     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975806.0 ave      975806 max      975806 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975806
Ave neighs/atom = 121.97575
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.257127607892, Press = -1.53665961489297
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -58237.879   -58237.879   -58500.243   -58500.243    253.74825    253.74825    45812.377    45812.377    105.48136    105.48136 
   42000   -58245.024   -58245.024   -58503.799   -58503.799    250.27741    250.27741    45807.727    45807.727    101.93251    101.93251 
Loop time of 5161.05 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1433.625 hours/ns, 0.194 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5160.2     | 5160.2     | 5160.2     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15374    | 0.15374    | 0.15374    |   0.0 |  0.00
Output  | 0.00012232 | 0.00012232 | 0.00012232 |   0.0 |  0.00
Modify  | 0.58754    | 0.58754    | 0.58754    |   0.0 |  0.01
Other   |            | 0.1186     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975824.0 ave      975824 max      975824 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975824
Ave neighs/atom = 121.97800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.235659383545, Press = -1.39588853007264
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -58245.024   -58245.024   -58503.799   -58503.799    250.27741    250.27741    45807.727    45807.727    101.93251    101.93251 
   43000    -58235.42    -58235.42   -58500.017   -58500.017    255.90833    255.90833    45811.042    45811.042    111.23917    111.23917 
Loop time of 5386.53 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1496.258 hours/ns, 0.186 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5385.6     | 5385.6     | 5385.6     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16789    | 0.16789    | 0.16789    |   0.0 |  0.00
Output  | 0.00013156 | 0.00013156 | 0.00013156 |   0.0 |  0.00
Modify  | 0.64513    | 0.64513    | 0.64513    |   0.0 |  0.01
Other   |            | 0.1453     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975870.0 ave      975870 max      975870 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975870
Ave neighs/atom = 121.98375
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.250162962235, Press = -1.5588019648424
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000    -58235.42    -58235.42   -58500.017   -58500.017    255.90833    255.90833    45811.042    45811.042    111.23917    111.23917 
   44000   -58240.286   -58240.286    -58503.78    -58503.78    254.84242    254.84242    45807.133    45807.133    330.58561    330.58561 
Loop time of 5513.69 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1531.581 hours/ns, 0.181 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5512.7     | 5512.7     | 5512.7     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16537    | 0.16537    | 0.16537    |   0.0 |  0.00
Output  | 0.00020065 | 0.00020065 | 0.00020065 |   0.0 |  0.00
Modify  | 0.6423     | 0.6423     | 0.6423     |   0.0 |  0.01
Other   |            | 0.1348     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975788.0 ave      975788 max      975788 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975788
Ave neighs/atom = 121.97350
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.254694997095, Press = -1.90659479614276
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -58240.286   -58240.286    -58503.78    -58503.78    254.84242    254.84242    45807.133    45807.133    330.58561    330.58561 
   45000   -58247.772   -58247.772   -58507.339   -58507.339     251.0438     251.0438    45806.492    45806.492    178.67711    178.67711 
Loop time of 5276.71 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1465.754 hours/ns, 0.190 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5275.8     | 5275.8     | 5275.8     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16064    | 0.16064    | 0.16064    |   0.0 |  0.00
Output  | 0.00013672 | 0.00013672 | 0.00013672 |   0.0 |  0.00
Modify  | 0.6173     | 0.6173     | 0.6173     |   0.0 |  0.01
Other   |            | 0.1315     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975842.0 ave      975842 max      975842 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975842
Ave neighs/atom = 121.98025
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.240354449495, Press = -2.36207395143083
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -58247.772   -58247.772   -58507.339   -58507.339     251.0438     251.0438    45806.492    45806.492    178.67711    178.67711 
   46000   -58240.781   -58240.781   -58500.851   -58500.851    251.53048    251.53048    45810.761    45810.761   -32.756179   -32.756179 
Loop time of 5182.18 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1439.493 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5181.3     | 5181.3     | 5181.3     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15883    | 0.15883    | 0.15883    |   0.0 |  0.00
Output  | 0.00012293 | 0.00012293 | 0.00012293 |   0.0 |  0.00
Modify  | 0.61427    | 0.61427    | 0.61427    |   0.0 |  0.01
Other   |            | 0.1355     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975866.0 ave      975866 max      975866 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975866
Ave neighs/atom = 121.98325
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.222067440955, Press = -2.38722188580315
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -58240.781   -58240.781   -58500.851   -58500.851    251.53048    251.53048    45810.761    45810.761   -32.756179   -32.756179 
   47000   -58240.674   -58240.674   -58503.299   -58503.299    254.00133    254.00133     45812.77     45812.77   -200.24913   -200.24913 
Loop time of 5176.51 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1437.920 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5175.6     | 5175.6     | 5175.6     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15677    | 0.15677    | 0.15677    |   0.0 |  0.00
Output  | 0.00012438 | 0.00012438 | 0.00012438 |   0.0 |  0.00
Modify  | 0.60659    | 0.60659    | 0.60659    |   0.0 |  0.01
Other   |            | 0.1312     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975846.0 ave      975846 max      975846 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975846
Ave neighs/atom = 121.98075
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.191673048664, Press = -2.32467827773946
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -58240.674   -58240.674   -58503.299   -58503.299    254.00133    254.00133     45812.77     45812.77   -200.24913   -200.24913 
   48000   -58243.827   -58243.827   -58503.961   -58503.961    251.59118    251.59118    45812.629    45812.629   -290.77205   -290.77205 
Loop time of 5175.03 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1437.509 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5174.1     | 5174.1     | 5174.1     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15763    | 0.15763    | 0.15763    |   0.0 |  0.00
Output  | 0.00019809 | 0.00019809 | 0.00019809 |   0.0 |  0.00
Modify  | 0.6097     | 0.6097     | 0.6097     |   0.0 |  0.01
Other   |            | 0.1327     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975806.0 ave      975806 max      975806 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975806
Ave neighs/atom = 121.97575
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.190076774331, Press = -2.27218663080529
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -58243.827   -58243.827   -58503.961   -58503.961    251.59118    251.59118    45812.629    45812.629   -290.77205   -290.77205 
   49000   -58240.775   -58240.775   -58505.803   -58505.803    256.32538    256.32538    45815.303    45815.303   -557.11999   -557.11999 
Loop time of 5175.4 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1437.611 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5174.5     | 5174.5     | 5174.5     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15826    | 0.15826    | 0.15826    |   0.0 |  0.00
Output  | 0.00013964 | 0.00013964 | 0.00013964 |   0.0 |  0.00
Modify  | 0.61106    | 0.61106    | 0.61106    |   0.0 |  0.01
Other   |            | 0.134      |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975836.0 ave      975836 max      975836 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975836
Ave neighs/atom = 121.97950
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.21537921631, Press = -2.10571741239479
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -58240.775   -58240.775   -58505.803   -58505.803    256.32538    256.32538    45815.303    45815.303   -557.11999   -557.11999 
   50000   -58235.664   -58235.664   -58500.727   -58500.727    256.35869    256.35869    45815.493    45815.493   -274.94336   -274.94336 
Loop time of 5176.22 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1437.839 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5175.3     | 5175.3     | 5175.3     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15706    | 0.15706    | 0.15706    |   0.0 |  0.00
Output  | 0.00011698 | 0.00011698 | 0.00011698 |   0.0 |  0.00
Modify  | 0.60884    | 0.60884    | 0.60884    |   0.0 |  0.01
Other   |            | 0.133      |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975840.0 ave      975840 max      975840 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975840
Ave neighs/atom = 121.98000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.223176059777, Press = -2.05781208856693
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -58235.664   -58235.664   -58500.727   -58500.727    256.35869    256.35869    45815.493    45815.493   -274.94336   -274.94336 
   51000   -58244.904   -58244.904   -58507.379   -58507.379    253.85562    253.85562    45811.382    45811.382   -342.24439   -342.24439 
Loop time of 5185.33 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1440.371 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5184.4     | 5184.4     | 5184.4     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15653    | 0.15653    | 0.15653    |   0.0 |  0.00
Output  | 0.00014315 | 0.00014315 | 0.00014315 |   0.0 |  0.00
Modify  | 0.60321    | 0.60321    | 0.60321    |   0.0 |  0.01
Other   |            | 0.1273     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975786.0 ave      975786 max      975786 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975786
Ave neighs/atom = 121.97325
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.238296060684, Press = -2.21760697095862
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -58244.904   -58244.904   -58507.379   -58507.379    253.85562    253.85562    45811.382    45811.382   -342.24439   -342.24439 
   52000   -58243.124   -58243.124   -58504.483   -58504.483    252.77617    252.77617    45817.049    45817.049   -749.23701   -749.23701 
Loop time of 5190.58 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1441.827 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5189.7     | 5189.7     | 5189.7     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15285    | 0.15285    | 0.15285    |   0.0 |  0.00
Output  | 0.00011581 | 0.00011581 | 0.00011581 |   0.0 |  0.00
Modify  | 0.59161    | 0.59161    | 0.59161    |   0.0 |  0.01
Other   |            | 0.1199     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975810.0 ave      975810 max      975810 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975810
Ave neighs/atom = 121.97625
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.230701816274, Press = -2.55394283311677
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -58243.124   -58243.124   -58504.483   -58504.483    252.77617    252.77617    45817.049    45817.049   -749.23701   -749.23701 
   53000   -58242.277   -58242.277   -58502.367   -58502.367    251.54978    251.54978    45817.834    45817.834   -609.23247   -609.23247 
Loop time of 5169.88 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1436.077 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5169       | 5169       | 5169       |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15344    | 0.15344    | 0.15344    |   0.0 |  0.00
Output  | 0.00018595 | 0.00018595 | 0.00018595 |   0.0 |  0.00
Modify  | 0.59176    | 0.59176    | 0.59176    |   0.0 |  0.01
Other   |            | 0.1213     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975778.0 ave      975778 max      975778 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975778
Ave neighs/atom = 121.97225
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.21140908308, Press = -2.26308579485115
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -58242.277   -58242.277   -58502.367   -58502.367    251.54978    251.54978    45817.834    45817.834   -609.23247   -609.23247 
   54000   -58240.311   -58240.311   -58500.686   -58500.686    251.82583    251.82583     45815.12     45815.12   -399.81323   -399.81323 
Loop time of 5173.88 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1437.190 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5173       | 5173       | 5173       |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15391    | 0.15391    | 0.15391    |   0.0 |  0.00
Output  | 0.00011354 | 0.00011354 | 0.00011354 |   0.0 |  0.00
Modify  | 0.59533    | 0.59533    | 0.59533    |   0.0 |  0.01
Other   |            | 0.1226     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975816.0 ave      975816 max      975816 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975816
Ave neighs/atom = 121.97700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.229855199599, Press = -1.58783790397506
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -58240.311   -58240.311   -58500.686   -58500.686    251.82583    251.82583     45815.12     45815.12   -399.81323   -399.81323 
   55000   -58237.242   -58237.242   -58499.975   -58499.975    254.10601    254.10601     45814.99     45814.99   -206.89296   -206.89296 
Loop time of 5171.41 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1436.503 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5170.5     | 5170.5     | 5170.5     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15484    | 0.15484    | 0.15484    |   0.0 |  0.00
Output  | 0.00011903 | 0.00011903 | 0.00011903 |   0.0 |  0.00
Modify  | 0.59558    | 0.59558    | 0.59558    |   0.0 |  0.01
Other   |            | 0.1218     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975812.0 ave      975812 max      975812 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975812
Ave neighs/atom = 121.97650
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.232788934804, Press = -1.22655327442214
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -58237.242   -58237.242   -58499.975   -58499.975    254.10601    254.10601     45814.99     45814.99   -206.89296   -206.89296 
   56000   -58243.978   -58243.978   -58504.444   -58504.444    251.91315    251.91315    45812.122    45812.122   -377.08603   -377.08603 
Loop time of 5166.61 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1435.171 hours/ns, 0.194 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5165.7     | 5165.7     | 5165.7     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15429    | 0.15429    | 0.15429    |   0.0 |  0.00
Output  | 0.00012212 | 0.00012212 | 0.00012212 |   0.0 |  0.00
Modify  | 0.59434    | 0.59434    | 0.59434    |   0.0 |  0.01
Other   |            | 0.123      |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975762.0 ave      975762 max      975762 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975762
Ave neighs/atom = 121.97025
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.214773894696, Press = -1.1982444660758
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -58243.978   -58243.978   -58504.444   -58504.444    251.91315    251.91315    45812.122    45812.122   -377.08603   -377.08603 
   57000    -58243.35    -58243.35   -58505.468   -58505.468    253.51062    253.51062    45819.137    45819.137   -879.80278   -879.80278 
Loop time of 5180.47 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1439.021 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5179.6     | 5179.6     | 5179.6     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15288    | 0.15288    | 0.15288    |   0.0 |  0.00
Output  | 0.00012362 | 0.00012362 | 0.00012362 |   0.0 |  0.00
Modify  | 0.58826    | 0.58826    | 0.58826    |   0.0 |  0.01
Other   |            | 0.1177     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975810.0 ave      975810 max      975810 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975810
Ave neighs/atom = 121.97625
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.205693273606, Press = -2.09232292287156
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000    -58243.35    -58243.35   -58505.468   -58505.468    253.51062    253.51062    45819.137    45819.137   -879.80278   -879.80278 
   58000   -58237.825   -58237.825   -58499.543   -58499.543    253.12352    253.12352    45825.501    45825.501   -1111.9064   -1111.9064 
Loop time of 5173.2 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1437.001 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5172.3     | 5172.3     | 5172.3     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15485    | 0.15485    | 0.15485    |   0.0 |  0.00
Output  | 0.00013003 | 0.00013003 | 0.00013003 |   0.0 |  0.00
Modify  | 0.5975     | 0.5975     | 0.5975     |   0.0 |  0.01
Other   |            | 0.1239     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975834.0 ave      975834 max      975834 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975834
Ave neighs/atom = 121.97925
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.184860133787, Press = -2.49326713470477
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -58237.825   -58237.825   -58499.543   -58499.543    253.12352    253.12352    45825.501    45825.501   -1111.9064   -1111.9064 
   59000    -58236.65    -58236.65    -58499.71    -58499.71     254.4218     254.4218    45820.302    45820.302   -625.10042   -625.10042 
Loop time of 5167.95 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1435.542 hours/ns, 0.194 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5167.1     | 5167.1     | 5167.1     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15253    | 0.15253    | 0.15253    |   0.0 |  0.00
Output  | 0.00013529 | 0.00013529 | 0.00013529 |   0.0 |  0.00
Modify  | 0.58915    | 0.58915    | 0.58915    |   0.0 |  0.01
Other   |            | 0.1192     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975816.0 ave      975816 max      975816 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975816
Ave neighs/atom = 121.97700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.183737399085, Press = -1.60450424888954
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000    -58236.65    -58236.65    -58499.71    -58499.71     254.4218     254.4218    45820.302    45820.302   -625.10042   -625.10042 
   60000   -58242.166   -58242.166   -58503.508   -58503.508    252.76047    252.76047    45815.056    45815.056   -387.80637   -387.80637 
Loop time of 5142.52 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1428.478 hours/ns, 0.194 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5141.7     | 5141.7     | 5141.7     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15138    | 0.15138    | 0.15138    |   0.0 |  0.00
Output  | 0.00013164 | 0.00013164 | 0.00013164 |   0.0 |  0.00
Modify  | 0.5814     | 0.5814     | 0.5814     |   0.0 |  0.01
Other   |            | 0.1158     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975834.0 ave      975834 max      975834 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975834
Ave neighs/atom = 121.97925
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.204034538595, Press = -1.33260423331923
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000   -58242.166   -58242.166   -58503.508   -58503.508    252.76047    252.76047    45815.056    45815.056   -387.80637   -387.80637 
   61000   -58232.432   -58232.432   -58497.157   -58497.157    256.03271    256.03271    45819.807    45819.807   -340.88417   -340.88417 
Loop time of 5145.69 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1429.358 hours/ns, 0.194 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5144.8     | 5144.8     | 5144.8     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15068    | 0.15068    | 0.15068    |   0.0 |  0.00
Output  | 0.00012392 | 0.00012392 | 0.00012392 |   0.0 |  0.00
Modify  | 0.58179    | 0.58179    | 0.58179    |   0.0 |  0.01
Other   |            | 0.1148     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975814.0 ave      975814 max      975814 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975814
Ave neighs/atom = 121.97675
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.218119553496, Press = -1.25462472315096
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -58232.432   -58232.432   -58497.157   -58497.157    256.03271    256.03271    45819.807    45819.807   -340.88417   -340.88417 
   62000   -58239.941   -58239.941   -58500.103   -58500.103    251.61896    251.61896    45822.447    45822.447   -968.04729   -968.04729 
Loop time of 5148.37 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1430.103 hours/ns, 0.194 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5147.5     | 5147.5     | 5147.5     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15059    | 0.15059    | 0.15059    |   0.0 |  0.00
Output  | 0.00019465 | 0.00019465 | 0.00019465 |   0.0 |  0.00
Modify  | 0.5812     | 0.5812     | 0.5812     |   0.0 |  0.01
Other   |            | 0.1141     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975824.0 ave      975824 max      975824 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975824
Ave neighs/atom = 121.97800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.221586619404, Press = -1.54722875500352
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -58239.941   -58239.941   -58500.103   -58500.103    251.61896    251.61896    45822.447    45822.447   -968.04729   -968.04729 
   63000   -58248.645   -58248.645   -58509.108   -58509.108    251.90979    251.90979    45833.477    45833.477   -2236.5126   -2236.5126 
Loop time of 5150.1 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1430.582 hours/ns, 0.194 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5149.3     | 5149.3     | 5149.3     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15029    | 0.15029    | 0.15029    |   0.0 |  0.00
Output  | 0.00011954 | 0.00011954 | 0.00011954 |   0.0 |  0.00
Modify  | 0.58079    | 0.58079    | 0.58079    |   0.0 |  0.01
Other   |            | 0.1143     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975816.0 ave      975816 max      975816 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975816
Ave neighs/atom = 121.97700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.209923271965, Press = -2.38065838413082
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -58248.645   -58248.645   -58509.108   -58509.108    251.90979    251.90979    45833.477    45833.477   -2236.5126   -2236.5126 
   64000   -58240.088   -58240.088   -58502.002   -58502.002    253.31347    253.31347    45828.354    45828.354   -1441.1572   -1441.1572 
Loop time of 5146.46 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1429.572 hours/ns, 0.194 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5145.6     | 5145.6     | 5145.6     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15055    | 0.15055    | 0.15055    |   0.0 |  0.00
Output  | 0.00011663 | 0.00011663 | 0.00011663 |   0.0 |  0.00
Modify  | 0.58097    | 0.58097    | 0.58097    |   0.0 |  0.01
Other   |            | 0.1142     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975800.0 ave      975800 max      975800 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975800
Ave neighs/atom = 121.97500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.199526260003, Press = -1.62665518371353
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -58240.088   -58240.088   -58502.002   -58502.002    253.31347    253.31347    45828.354    45828.354   -1441.1572   -1441.1572 
   65000   -58246.531   -58246.531   -58509.165   -58509.165     254.0098     254.0098    45820.332    45820.332   -1144.6108   -1144.6108 
Loop time of 5147.72 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1429.922 hours/ns, 0.194 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5146.9     | 5146.9     | 5146.9     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15044    | 0.15044    | 0.15044    |   0.0 |  0.00
Output  | 0.00012017 | 0.00012017 | 0.00012017 |   0.0 |  0.00
Modify  | 0.5808     | 0.5808     | 0.5808     |   0.0 |  0.01
Other   |            | 0.1141     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975764.0 ave      975764 max      975764 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975764
Ave neighs/atom = 121.97050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.179141751017, Press = -1.22903680139201
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -58246.531   -58246.531   -58509.165   -58509.165     254.0098     254.0098    45820.332    45820.332   -1144.6108   -1144.6108 
   66000     -58244.1     -58244.1   -58504.243   -58504.243    251.60125    251.60125    45822.069    45822.069   -1112.0647   -1112.0647 
Loop time of 5170.65 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1436.292 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5169.8     | 5169.8     | 5169.8     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15281    | 0.15281    | 0.15281    |   0.0 |  0.00
Output  | 0.00013288 | 0.00013288 | 0.00013288 |   0.0 |  0.00
Modify  | 0.58974    | 0.58974    | 0.58974    |   0.0 |  0.01
Other   |            | 0.1186     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975820.0 ave      975820 max      975820 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975820
Ave neighs/atom = 121.97750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.181731439769, Press = -1.18331767749895
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000     -58244.1     -58244.1   -58504.243   -58504.243    251.60125    251.60125    45822.069    45822.069   -1112.0647   -1112.0647 
   67000   -58236.464   -58236.464   -58500.225   -58500.225    255.09936    255.09936    45827.341    45827.341   -1347.0836   -1347.0836 
Loop time of 5219.72 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1449.921 hours/ns, 0.192 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5218.8     | 5218.8     | 5218.8     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15979    | 0.15979    | 0.15979    |   0.0 |  0.00
Output  | 0.00012666 | 0.00012666 | 0.00012666 |   0.0 |  0.00
Modify  | 0.6152     | 0.6152     | 0.6152     |   0.0 |  0.01
Other   |            | 0.1309     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975818.0 ave      975818 max      975818 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975818
Ave neighs/atom = 121.97725
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.196886753675, Press = -1.27804831821713
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000   -58236.464   -58236.464   -58500.225   -58500.225    255.09936    255.09936    45827.341    45827.341   -1347.0836   -1347.0836 
   68000   -58240.755   -58240.755   -58504.217   -58504.217    254.80987    254.80987    45841.726    45841.726   -2652.4967   -2652.4967 
Loop time of 5258.14 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.016 ns/day, 1460.596 hours/ns, 0.190 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5257.2     | 5257.2     | 5257.2     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.16255    | 0.16255    | 0.16255    |   0.0 |  0.00
Output  | 0.00012356 | 0.00012356 | 0.00012356 |   0.0 |  0.00
Modify  | 0.6126     | 0.6126     | 0.6126     |   0.0 |  0.01
Other   |            | 0.132      |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975776.0 ave      975776 max      975776 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975776
Ave neighs/atom = 121.97200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.205968267816, Press = -1.86280350593983
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   68000   -58240.755   -58240.755   -58504.217   -58504.217    254.80987    254.80987    45841.726    45841.726   -2652.4967   -2652.4967 
   69000   -58245.191   -58245.191   -58504.962   -58504.962    251.24048    251.24048    45852.715    45852.715   -3651.9823   -3651.9823 
Loop time of 5184.86 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1440.240 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5184       | 5184       | 5184       |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15461    | 0.15461    | 0.15461    |   0.0 |  0.00
Output  | 0.00012019 | 0.00012019 | 0.00012019 |   0.0 |  0.00
Modify  | 0.59737    | 0.59737    | 0.59737    |   0.0 |  0.01
Other   |            | 0.1232     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975816.0 ave      975816 max      975816 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975816
Ave neighs/atom = 121.97700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.216381177372, Press = -1.943541824012
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   69000   -58245.191   -58245.191   -58504.962   -58504.962    251.24048    251.24048    45852.715    45852.715   -3651.9823   -3651.9823 
   70000   -58240.052   -58240.052   -58503.657   -58503.657    254.94868    254.94868    45832.434    45832.434   -1891.9054   -1891.9054 
Loop time of 5181.29 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1439.248 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5180.4     | 5180.4     | 5180.4     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15352    | 0.15352    | 0.15352    |   0.0 |  0.00
Output  | 0.00012417 | 0.00012417 | 0.00012417 |   0.0 |  0.00
Modify  | 0.5901     | 0.5901     | 0.5901     |   0.0 |  0.01
Other   |            | 0.1174     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975734.0 ave      975734 max      975734 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975734
Ave neighs/atom = 121.96675
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.210903969457, Press = -1.15591335046702
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   70000   -58240.052   -58240.052   -58503.657   -58503.657    254.94868    254.94868    45832.434    45832.434   -1891.9054   -1891.9054 
   71000   -58240.979   -58240.979   -58503.263   -58503.263    253.67166    253.67166    45829.073    45829.073   -1659.6473   -1659.6473 
Loop time of 5158.25 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1432.846 hours/ns, 0.194 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5157.4     | 5157.4     | 5157.4     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15332    | 0.15332    | 0.15332    |   0.0 |  0.00
Output  | 0.00019147 | 0.00019147 | 0.00019147 |   0.0 |  0.00
Modify  | 0.59009    | 0.59009    | 0.59009    |   0.0 |  0.01
Other   |            | 0.1199     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975826.0 ave      975826 max      975826 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975826
Ave neighs/atom = 121.97825
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.190955811668, Press = -0.976360214570907
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   71000   -58240.979   -58240.979   -58503.263   -58503.263    253.67166    253.67166    45829.073    45829.073   -1659.6473   -1659.6473 
   72000   -58247.057   -58247.057   -58506.573   -58506.573    250.99497    250.99497    45825.606    45825.606   -1557.8797   -1557.8797 
Loop time of 5165.41 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1434.836 hours/ns, 0.194 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5164.5     | 5164.5     | 5164.5     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15469    | 0.15469    | 0.15469    |   0.0 |  0.00
Output  | 0.00012291 | 0.00012291 | 0.00012291 |   0.0 |  0.00
Modify  | 0.60008    | 0.60008    | 0.60008    |   0.0 |  0.01
Other   |            | 0.1261     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975838.0 ave      975838 max      975838 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975838
Ave neighs/atom = 121.97975
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.181728871435, Press = -0.947780472699629
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   72000   -58247.057   -58247.057   -58506.573   -58506.573    250.99497    250.99497    45825.606    45825.606   -1557.8797   -1557.8797 
   73000   -58240.323   -58240.323   -58503.977   -58503.977    254.99651    254.99651    45832.069    45832.069    -1926.398    -1926.398 
Loop time of 5175.25 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1437.569 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5174.4     | 5174.4     | 5174.4     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15589    | 0.15589    | 0.15589    |   0.0 |  0.00
Output  | 0.00012191 | 0.00012191 | 0.00012191 |   0.0 |  0.00
Modify  | 0.60294    | 0.60294    | 0.60294    |   0.0 |  0.01
Other   |            | 0.128      |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975794.0 ave      975794 max      975794 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975794
Ave neighs/atom = 121.97425
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.178368401275, Press = -1.05161861661949
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   73000   -58240.323   -58240.323   -58503.977   -58503.977    254.99651    254.99651    45832.069    45832.069    -1926.398    -1926.398 
   74000   -58236.595   -58236.595   -58497.782   -58497.782    252.60973    252.60973    45849.287    45849.287   -3148.9403   -3148.9403 
Loop time of 5171.15 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1436.431 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5170.3     | 5170.3     | 5170.3     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15541    | 0.15541    | 0.15541    |   0.0 |  0.00
Output  | 0.00013205 | 0.00013205 | 0.00013205 |   0.0 |  0.00
Modify  | 0.6024     | 0.6024     | 0.6024     |   0.0 |  0.01
Other   |            | 0.1283     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975816.0 ave      975816 max      975816 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975816
Ave neighs/atom = 121.97700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.180945132927, Press = -1.42011581873107
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   74000   -58236.595   -58236.595   -58497.782   -58497.782    252.60973    252.60973    45849.287    45849.287   -3148.9403   -3148.9403 
   75000   -58243.614   -58243.614   -58503.245   -58503.245    251.10559    251.10559     45849.56     45849.56   -3514.0632   -3514.0632 
Loop time of 5160.39 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1433.442 hours/ns, 0.194 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5159.5     | 5159.5     | 5159.5     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15312    | 0.15312    | 0.15312    |   0.0 |  0.00
Output  | 0.00011881 | 0.00011881 | 0.00011881 |   0.0 |  0.00
Modify  | 0.59632    | 0.59632    | 0.59632    |   0.0 |  0.01
Other   |            | 0.1242     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975718.0 ave      975718 max      975718 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975718
Ave neighs/atom = 121.96475
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.196519640709, Press = -1.25672601297667
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   75000   -58243.614   -58243.614   -58503.245   -58503.245    251.10559    251.10559     45849.56     45849.56   -3514.0632   -3514.0632 
   76000   -58235.836   -58235.836   -58500.895   -58500.895    256.35531    256.35531    45829.979    45829.979   -1584.7465   -1584.7465 
Loop time of 5171.7 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1436.584 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5170.8     | 5170.8     | 5170.8     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1536     | 0.1536     | 0.1536     |   0.0 |  0.00
Output  | 0.00012423 | 0.00012423 | 0.00012423 |   0.0 |  0.00
Modify  | 0.59188    | 0.59188    | 0.59188    |   0.0 |  0.01
Other   |            | 0.1219     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975806.0 ave      975806 max      975806 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975806
Ave neighs/atom = 121.97575
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.207326514079, Press = -0.748546239230128
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   76000   -58235.836   -58235.836   -58500.895   -58500.895    256.35531    256.35531    45829.979    45829.979   -1584.7465   -1584.7465 
   77000   -58241.031   -58241.031   -58500.598   -58500.598    251.04338    251.04338    45826.884    45826.884   -1283.2885   -1283.2885 
Loop time of 5183.17 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1439.770 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5182.3     | 5182.3     | 5182.3     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15419    | 0.15419    | 0.15419    |   0.0 |  0.00
Output  | 0.00012319 | 0.00012319 | 0.00012319 |   0.0 |  0.00
Modify  | 0.59087    | 0.59087    | 0.59087    |   0.0 |  0.01
Other   |            | 0.1194     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975810.0 ave      975810 max      975810 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975810
Ave neighs/atom = 121.97625
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.206698274588, Press = -0.638440805088824
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   77000   -58241.031   -58241.031   -58500.598   -58500.598    251.04338    251.04338    45826.884    45826.884   -1283.2885   -1283.2885 
   78000   -58237.974   -58237.974   -58501.353   -58501.353    254.73045    254.73045    45831.401    45831.401   -1633.5262   -1633.5262 
Loop time of 5185.01 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1440.281 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5184.1     | 5184.1     | 5184.1     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15358    | 0.15358    | 0.15358    |   0.0 |  0.00
Output  | 0.00011994 | 0.00011994 | 0.00011994 |   0.0 |  0.00
Modify  | 0.59594    | 0.59594    | 0.59594    |   0.0 |  0.01
Other   |            | 0.1221     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975852.0 ave      975852 max      975852 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975852
Ave neighs/atom = 121.98150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.20640248531, Press = -0.692194934443577
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   78000   -58237.974   -58237.974   -58501.353   -58501.353    254.73045    254.73045    45831.401    45831.401   -1633.5262   -1633.5262 
   79000   -58241.955   -58241.955    -58503.09    -58503.09    252.55968    252.55968    45844.623    45844.623   -2829.4075   -2829.4075 
Loop time of 5175.41 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1437.614 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5174.5     | 5174.5     | 5174.5     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15372    | 0.15372    | 0.15372    |   0.0 |  0.00
Output  | 0.00011746 | 0.00011746 | 0.00011746 |   0.0 |  0.00
Modify  | 0.59395    | 0.59395    | 0.59395    |   0.0 |  0.01
Other   |            | 0.1211     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975838.0 ave      975838 max      975838 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975838
Ave neighs/atom = 121.97975
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.190685406694, Press = -0.765419521863856
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   79000   -58241.955   -58241.955    -58503.09    -58503.09    252.55968    252.55968    45844.623    45844.623   -2829.4075   -2829.4075 
   80000   -58245.399   -58245.399   -58503.196   -58503.196    249.33141    249.33141    45861.702    45861.702   -4451.6688   -4451.6688 
Loop time of 5186.17 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1440.603 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5185.3     | 5185.3     | 5185.3     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15187    | 0.15187    | 0.15187    |   0.0 |  0.00
Output  | 0.0001193  | 0.0001193  | 0.0001193  |   0.0 |  0.00
Modify  | 0.59129    | 0.59129    | 0.59129    |   0.0 |  0.01
Other   |            | 0.1191     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975816.0 ave      975816 max      975816 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975816
Ave neighs/atom = 121.97700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.184106170962, Press = -0.84640943986579
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   80000   -58245.399   -58245.399   -58503.196   -58503.196    249.33141    249.33141    45861.702    45861.702   -4451.6688   -4451.6688 
   81000   -58238.544   -58238.544   -58501.627   -58501.627     254.4441     254.4441     45830.51     45830.51   -1748.9588   -1748.9588 
Loop time of 5188.06 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1441.128 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5187.2     | 5187.2     | 5187.2     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15367    | 0.15367    | 0.15367    |   0.0 |  0.00
Output  | 0.00020298 | 0.00020298 | 0.00020298 |   0.0 |  0.00
Modify  | 0.59712    | 0.59712    | 0.59712    |   0.0 |  0.01
Other   |            | 0.1237     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975788.0 ave      975788 max      975788 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975788
Ave neighs/atom = 121.97350
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.174304795582, Press = -0.523867956291726
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   81000   -58238.544   -58238.544   -58501.627   -58501.627     254.4441     254.4441     45830.51     45830.51   -1748.9588   -1748.9588 
   82000   -58233.335   -58233.335   -58500.121   -58500.121     258.0251     258.0251     45827.59     45827.59   -1184.0619   -1184.0619 
Loop time of 5184.15 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1440.041 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5183.3     | 5183.3     | 5183.3     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15326    | 0.15326    | 0.15326    |   0.0 |  0.00
Output  | 0.00012316 | 0.00012316 | 0.00012316 |   0.0 |  0.00
Modify  | 0.5928     | 0.5928     | 0.5928     |   0.0 |  0.01
Other   |            | 0.1216     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975742.0 ave      975742 max      975742 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975742
Ave neighs/atom = 121.96775
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.176869374569, Press = -0.517528820924651
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   82000   -58233.335   -58233.335   -58500.121   -58500.121     258.0251     258.0251     45827.59     45827.59   -1184.0619   -1184.0619 
   83000   -58242.228   -58242.228   -58501.462   -58501.462    250.72226    250.72226    45824.685    45824.685   -1209.9599   -1209.9599 
Loop time of 5177.76 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1438.266 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5176.9     | 5176.9     | 5176.9     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15275    | 0.15275    | 0.15275    |   0.0 |  0.00
Output  | 0.00012162 | 0.00012162 | 0.00012162 |   0.0 |  0.00
Modify  | 0.58968    | 0.58968    | 0.58968    |   0.0 |  0.01
Other   |            | 0.1201     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975808.0 ave      975808 max      975808 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975808
Ave neighs/atom = 121.97600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.188247156847, Press = -0.566087429116912
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   83000   -58242.228   -58242.228   -58501.462   -58501.462    250.72226    250.72226    45824.685    45824.685   -1209.9599   -1209.9599 
   84000   -58236.345   -58236.345   -58498.557   -58498.557    253.60136    253.60136    45837.791    45837.791   -2018.6432   -2018.6432 
Loop time of 5174.35 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1437.319 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5173.5     | 5173.5     | 5173.5     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15304    | 0.15304    | 0.15304    |   0.0 |  0.00
Output  | 0.0001135  | 0.0001135  | 0.0001135  |   0.0 |  0.00
Modify  | 0.59268    | 0.59268    | 0.59268    |   0.0 |  0.01
Other   |            | 0.1217     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975814.0 ave      975814 max      975814 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975814
Ave neighs/atom = 121.97675
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.202264021231, Press = -0.692483421616561
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   84000   -58236.345   -58236.345   -58498.557   -58498.557    253.60136    253.60136    45837.791    45837.791   -2018.6432   -2018.6432 
   85000   -58237.784   -58237.784   -58502.754   -58502.754    256.26915    256.26915    45854.804    45854.804   -3599.9165   -3599.9165 
Loop time of 5164.69 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1434.637 hours/ns, 0.194 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5163.8     | 5163.8     | 5163.8     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15821    | 0.15821    | 0.15821    |   0.0 |  0.00
Output  | 0.00019449 | 0.00019449 | 0.00019449 |   0.0 |  0.00
Modify  | 0.60636    | 0.60636    | 0.60636    |   0.0 |  0.01
Other   |            | 0.1311     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975770.0 ave      975770 max      975770 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975770
Ave neighs/atom = 121.97125
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.201700150254, Press = -0.662526389994779
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   85000   -58237.784   -58237.784   -58502.754   -58502.754    256.26915    256.26915    45854.804    45854.804   -3599.9165   -3599.9165 
   86000   -58243.251   -58243.251   -58503.697   -58503.697    251.89341    251.89341    45846.389    45846.389   -3058.4932   -3058.4932 
Loop time of 5164.85 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1434.680 hours/ns, 0.194 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5164       | 5164       | 5164       |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15467    | 0.15467    | 0.15467    |   0.0 |  0.00
Output  | 0.00012501 | 0.00012501 | 0.00012501 |   0.0 |  0.00
Modify  | 0.59638    | 0.59638    | 0.59638    |   0.0 |  0.01
Other   |            | 0.1234     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975762.0 ave      975762 max      975762 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975762
Ave neighs/atom = 121.97025
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.188769940118, Press = -0.465698975746236
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   86000   -58243.251   -58243.251   -58503.697   -58503.697    251.89341    251.89341    45846.389    45846.389   -3058.4932   -3058.4932 
   87000   -58243.849   -58243.849   -58504.824   -58504.824    252.40527    252.40527    45832.862    45832.862   -2074.0026   -2074.0026 
Loop time of 5169.86 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1436.073 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5169       | 5169       | 5169       |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1537     | 0.1537     | 0.1537     |   0.0 |  0.00
Output  | 0.00019365 | 0.00019365 | 0.00019365 |   0.0 |  0.00
Modify  | 0.59277    | 0.59277    | 0.59277    |   0.0 |  0.01
Other   |            | 0.1201     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975758.0 ave      975758 max      975758 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975758
Ave neighs/atom = 121.96975
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.182168960871, Press = -0.377776431264542
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   87000   -58243.849   -58243.849   -58504.824   -58504.824    252.40527    252.40527    45832.862    45832.862   -2074.0026   -2074.0026 
   88000   -58237.468   -58237.468   -58496.456   -58496.456    250.48299    250.48299    45832.629    45832.629   -1666.7471   -1666.7471 
Loop time of 5170.59 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1436.276 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5169.7     | 5169.7     | 5169.7     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15518    | 0.15518    | 0.15518    |   0.0 |  0.00
Output  | 0.00012402 | 0.00012402 | 0.00012402 |   0.0 |  0.00
Modify  | 0.59945    | 0.59945    | 0.59945    |   0.0 |  0.01
Other   |            | 0.1255     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975836.0 ave      975836 max      975836 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975836
Ave neighs/atom = 121.97950
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.171465497486, Press = -0.35510031836178
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   88000   -58237.468   -58237.468   -58496.456   -58496.456    250.48299    250.48299    45832.629    45832.629   -1666.7471   -1666.7471 
   89000   -58241.857   -58241.857    -58504.78    -58504.78     254.2897     254.2897    45833.525    45833.525   -2047.8106   -2047.8106 
Loop time of 5168.15 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1435.596 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5167.3     | 5167.3     | 5167.3     |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15454    | 0.15454    | 0.15454    |   0.0 |  0.00
Output  | 0.00012097 | 0.00012097 | 0.00012097 |   0.0 |  0.00
Modify  | 0.59577    | 0.59577    | 0.59577    |   0.0 |  0.01
Other   |            | 0.1219     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975796.0 ave      975796 max      975796 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975796
Ave neighs/atom = 121.97450
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.171554252836, Press = -0.347066836697196
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   89000   -58241.857   -58241.857    -58504.78    -58504.78     254.2897     254.2897    45833.525    45833.525   -2047.8106   -2047.8106 
   90000    -58239.52    -58239.52   -58500.816   -58500.816    252.71559    252.71559    45838.577    45838.577   -2340.0286   -2340.0286 
Loop time of 5168.91 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1435.809 hours/ns, 0.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5168       | 5168       | 5168       |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15327    | 0.15327    | 0.15327    |   0.0 |  0.00
Output  | 0.00011579 | 0.00011579 | 0.00011579 |   0.0 |  0.00
Modify  | 0.59201    | 0.59201    | 0.59201    |   0.0 |  0.01
Other   |            | 0.1199     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975832.0 ave      975832 max      975832 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975832
Ave neighs/atom = 121.97900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.179568375615, Press = -0.270070665908592
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.8
  ghost atom cutoff = 8.8
  binsize = 4.4, bins = 9 9 9
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, ghost, cut 5.4
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 30.72 | 30.72 | 30.72 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   90000    -58239.52    -58239.52   -58500.816   -58500.816    252.71559    252.71559    45838.577    45838.577   -2340.0286   -2340.0286 
   91000   -58235.511   -58235.511   -58499.722   -58499.722     255.5353     255.5353    45852.164    45852.164   -3400.2025   -3400.2025 
Loop time of 5164.86 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.017 ns/day, 1434.683 hours/ns, 0.194 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5164       | 5164       | 5164       |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15314    | 0.15314    | 0.15314    |   0.0 |  0.00
Output  | 0.00012812 | 0.00012812 | 0.00012812 |   0.0 |  0.00
Modify  | 0.59199    | 0.59199    | 0.59199    |   0.0 |  0.01
Other   |            | 0.1211     |            |       |  0.00

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        17695.0 ave       17695 max       17695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      975790.0 ave      975790 max      975790 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 975790
Ave neighs/atom = 121.97375
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T253.15.out"  else  "print 'not_converged'  file output/vol_T253.15.out"
print '${V}'  file output/vol_T253.15.out
45810.3224038351

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0