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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 2.870000079274177*${_u_distance}
variable latticeconst_converted equal 2.870000079274177*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.87000007927418
Lattice spacing in x,y,z = 2.8700001 2.8700001 2.8700001
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 (28.700001 28.700001 28.700001)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 2000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (28.700001 28.700001 28.700001)
  create_atoms CPU = 0.002 seconds

variable mass_converted equal 55.845*${_u_mass}
variable mass_converted equal 55.845*1

kim_interactions Fe

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

kim interactions Fe
#=== BEGIN kim interactions ==================================
pair_style kim EAM_Dynamo_Olsson_2009_Fe__MO_024705128470_000
pair_coeff * * Fe
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 55.845

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 23639.9049589205    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 23639.9049589205/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 23639.9049589205/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 23639.9049589205/(1*1*${_u_distance})
variable      V0_metal equal 23639.9049589205/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 23639.9049589205*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 23639.9049589205 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 293.15*${_u_temperature}
variable temp_converted equal 293.15*1
variable Tdamp_converted equal 0.1*${_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 293.15 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 293.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 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  "293.15 - 0.2"
variable      T_up  equal  "293.15 + 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_024705128470_000#item-citation

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -8484.2525   -8484.2525   -8559.9999   -8559.9999       293.15       293.15    23639.905    23639.905    3422.4598    3422.4598 
    1000   -8406.1417   -8406.1417   -8486.8408   -8486.8408    312.31404    312.31404    23873.662    23873.662    1967.8838    1967.8838 
Loop time of 5.86582 on 1 procs for 1000 steps with 2000 atoms

Performance: 14.729 ns/day, 1.629 hours/ns, 170.479 timesteps/s
97.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.6331     | 5.6331     | 5.6331     |   0.0 | 96.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036585   | 0.036585   | 0.036585   |   0.0 |  0.62
Output  | 0.00028192 | 0.00028192 | 0.00028192 |   0.0 |  0.00
Modify  | 0.17018    | 0.17018    | 0.17018    |   0.0 |  2.90
Other   |            | 0.02569    |            |       |  0.44

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      128000.0 ave      128000 max      128000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128000
Ave neighs/atom = 64.000000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -8406.1417   -8406.1417   -8486.8408   -8486.8408    312.31404    312.31404    23873.662    23873.662    1967.8838    1967.8838 
    2000   -8405.8504   -8405.8504   -8483.0389   -8483.0389    298.72748    298.72748    23916.137    23916.137    -524.7227    -524.7227 
Loop time of 6.15826 on 1 procs for 1000 steps with 2000 atoms

Performance: 14.030 ns/day, 1.711 hours/ns, 162.383 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    | 5.9258     | 5.9258     | 5.9258     |   0.0 | 96.22
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038558   | 0.038558   | 0.038558   |   0.0 |  0.63
Output  | 0.00011943 | 0.00011943 | 0.00011943 |   0.0 |  0.00
Modify  | 0.16547    | 0.16547    | 0.16547    |   0.0 |  2.69
Other   |            | 0.02834    |            |       |  0.46

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132528.0 ave      132528 max      132528 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132528
Ave neighs/atom = 66.264000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -8405.8504   -8405.8504   -8483.0389   -8483.0389    298.72748    298.72748    23916.137    23916.137    -524.7227    -524.7227 
    3000   -8407.7999   -8407.7999   -8482.6002   -8482.6002     289.4848     289.4848    23919.656    23919.656   -755.05324   -755.05324 
Loop time of 5.79881 on 1 procs for 1000 steps with 2000 atoms

Performance: 14.900 ns/day, 1.611 hours/ns, 172.449 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    | 5.5887     | 5.5887     | 5.5887     |   0.0 | 96.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03502    | 0.03502    | 0.03502    |   0.0 |  0.60
Output  | 0.0001195  | 0.0001195  | 0.0001195  |   0.0 |  0.00
Modify  | 0.15102    | 0.15102    | 0.15102    |   0.0 |  2.60
Other   |            | 0.02398    |            |       |  0.41

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132284.0 ave      132284 max      132284 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132284
Ave neighs/atom = 66.142000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -8407.7999   -8407.7999   -8482.6002   -8482.6002     289.4848     289.4848    23919.656    23919.656   -755.05324   -755.05324 
    4000   -8404.5361   -8404.5361   -8481.0408   -8481.0408     296.0812     296.0812    23922.596    23922.596    -428.5508    -428.5508 
Loop time of 5.7313 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.075 ns/day, 1.592 hours/ns, 174.481 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    | 5.5251     | 5.5251     | 5.5251     |   0.0 | 96.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034388   | 0.034388   | 0.034388   |   0.0 |  0.60
Output  | 0.00012825 | 0.00012825 | 0.00012825 |   0.0 |  0.00
Modify  | 0.14797    | 0.14797    | 0.14797    |   0.0 |  2.58
Other   |            | 0.02373    |            |       |  0.41

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132136.0 ave      132136 max      132136 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132136
Ave neighs/atom = 66.068000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -8404.5361   -8404.5361   -8481.0408   -8481.0408     296.0812     296.0812    23922.596    23922.596    -428.5508    -428.5508 
    5000   -8408.3348   -8408.3348      -8484.6      -8484.6    295.15431    295.15431    23884.728    23884.728    1356.5039    1356.5039 
Loop time of 5.6526 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.285 ns/day, 1.570 hours/ns, 176.910 timesteps/s
99.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.4554     | 5.4554     | 5.4554     |   0.0 | 96.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033163   | 0.033163   | 0.033163   |   0.0 |  0.59
Output  | 0.00010692 | 0.00010692 | 0.00010692 |   0.0 |  0.00
Modify  | 0.14259    | 0.14259    | 0.14259    |   0.0 |  2.52
Other   |            | 0.02131    |            |       |  0.38

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132218.0 ave      132218 max      132218 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132218
Ave neighs/atom = 66.109000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.30089458183, Press = 45.5266073112316
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -8408.3348   -8408.3348      -8484.6      -8484.6    295.15431    295.15431    23884.728    23884.728    1356.5039    1356.5039 
    6000   -8405.6885   -8405.6885   -8483.4337   -8483.4337    300.88189    300.88189    23872.931    23872.931    2491.2525    2491.2525 
Loop time of 5.59813 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.434 ns/day, 1.555 hours/ns, 178.631 timesteps/s
99.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.4021     | 5.4021     | 5.4021     |   0.0 | 96.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032271   | 0.032271   | 0.032271   |   0.0 |  0.58
Output  | 9.5089e-05 | 9.5089e-05 | 9.5089e-05 |   0.0 |  0.00
Modify  | 0.14329    | 0.14329    | 0.14329    |   0.0 |  2.56
Other   |            | 0.02035    |            |       |  0.36

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132390.0 ave      132390 max      132390 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132390
Ave neighs/atom = 66.195000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.910530907858, Press = 12.7108112313626
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -8405.6885   -8405.6885   -8483.4337   -8483.4337    300.88189    300.88189    23872.931    23872.931    2491.2525    2491.2525 
    7000   -8409.0878   -8409.0878   -8485.3001   -8485.3001    294.94947    294.94947    23868.896    23868.896    2362.2288    2362.2288 
Loop time of 5.5479 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.573 ns/day, 1.541 hours/ns, 180.248 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3541     | 5.3541     | 5.3541     |   0.0 | 96.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032348   | 0.032348   | 0.032348   |   0.0 |  0.58
Output  | 9.1275e-05 | 9.1275e-05 | 9.1275e-05 |   0.0 |  0.00
Modify  | 0.14202    | 0.14202    | 0.14202    |   0.0 |  2.56
Other   |            | 0.01931    |            |       |  0.35

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132452.0 ave      132452 max      132452 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132452
Ave neighs/atom = 66.226000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.46015291835, Press = 16.2190592504345
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -8409.0878   -8409.0878   -8485.3001   -8485.3001    294.94947    294.94947    23868.896    23868.896    2362.2288    2362.2288 
    8000   -8405.3086   -8405.3086   -8482.6501   -8482.6501     299.3195     299.3195    23874.017    23874.017     2439.514     2439.514 
Loop time of 5.51723 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.660 ns/day, 1.533 hours/ns, 181.250 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3242     | 5.3242     | 5.3242     |   0.0 | 96.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032214   | 0.032214   | 0.032214   |   0.0 |  0.58
Output  | 8.7101e-05 | 8.7101e-05 | 8.7101e-05 |   0.0 |  0.00
Modify  | 0.14116    | 0.14116    | 0.14116    |   0.0 |  2.56
Other   |            | 0.0196     |            |       |  0.36

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132412.0 ave      132412 max      132412 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132412
Ave neighs/atom = 66.206000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.967999879856, Press = 3.22808896708383
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -8405.3086   -8405.3086   -8482.6501   -8482.6501     299.3195     299.3195    23874.017    23874.017     2439.514     2439.514 
    9000   -8408.7279   -8408.7279   -8483.9517   -8483.9517    291.12405    291.12405     23878.24     23878.24    1894.9057    1894.9057 
Loop time of 5.72144 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.101 ns/day, 1.589 hours/ns, 174.781 timesteps/s
99.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.517      | 5.517      | 5.517      |   0.0 | 96.43
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033483   | 0.033483   | 0.033483   |   0.0 |  0.59
Output  | 8.8684e-05 | 8.8684e-05 | 8.8684e-05 |   0.0 |  0.00
Modify  | 0.14912    | 0.14912    | 0.14912    |   0.0 |  2.61
Other   |            | 0.0217     |            |       |  0.38

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132526.0 ave      132526 max      132526 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132526
Ave neighs/atom = 66.263000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.484154855199, Press = 2.53509044908781
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -8408.7279   -8408.7279   -8483.9517   -8483.9517    291.12405    291.12405     23878.24     23878.24    1894.9057    1894.9057 
   10000   -8405.7111   -8405.7111   -8483.5172   -8483.5172    301.11766    301.11766    23900.545    23900.545    454.99079    454.99079 
Loop time of 5.5336 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.614 ns/day, 1.537 hours/ns, 180.714 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3388     | 5.3388     | 5.3388     |   0.0 | 96.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032509   | 0.032509   | 0.032509   |   0.0 |  0.59
Output  | 9.5163e-05 | 9.5163e-05 | 9.5163e-05 |   0.0 |  0.00
Modify  | 0.1419     | 0.1419     | 0.1419     |   0.0 |  2.56
Other   |            | 0.02029    |            |       |  0.37

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132404.0 ave      132404 max      132404 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132404
Ave neighs/atom = 66.202000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.815882289736, Press = -1.36874576661776
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -8405.7111   -8405.7111   -8483.5172   -8483.5172    301.11766    301.11766    23900.545    23900.545    454.99079    454.99079 
   11000   -8409.2915   -8409.2915    -8484.803    -8484.803    292.23749    292.23749    23897.386    23897.386    371.34515    371.34515 
Loop time of 5.55239 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.561 ns/day, 1.542 hours/ns, 180.103 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3586     | 5.3586     | 5.3586     |   0.0 | 96.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032419   | 0.032419   | 0.032419   |   0.0 |  0.58
Output  | 8.82e-05   | 8.82e-05   | 8.82e-05   |   0.0 |  0.00
Modify  | 0.14223    | 0.14223    | 0.14223    |   0.0 |  2.56
Other   |            | 0.01907    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132142.0 ave      132142 max      132142 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132142
Ave neighs/atom = 66.071000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.777602021953, Press = -0.5710031818165
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -8409.2915   -8409.2915    -8484.803    -8484.803    292.23749    292.23749    23897.386    23897.386    371.34515    371.34515 
   12000   -8402.8743   -8402.8743   -8481.5752   -8481.5752    304.58054    304.58054    23913.969    23913.969    137.83866    137.83866 
Loop time of 5.51754 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.659 ns/day, 1.533 hours/ns, 181.240 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3263     | 5.3263     | 5.3263     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032129   | 0.032129   | 0.032129   |   0.0 |  0.58
Output  | 8.7985e-05 | 8.7985e-05 | 8.7985e-05 |   0.0 |  0.00
Modify  | 0.14049    | 0.14049    | 0.14049    |   0.0 |  2.55
Other   |            | 0.01854    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132188.0 ave      132188 max      132188 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132188
Ave neighs/atom = 66.094000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.103954878678, Press = -2.87986757405774
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -8402.8743   -8402.8743   -8481.5752   -8481.5752    304.58054    304.58054    23913.969    23913.969    137.83866    137.83866 
   13000   -8406.1921   -8406.1921   -8483.1627   -8483.1627    297.88417    297.88417     23893.14     23893.14    1101.8939    1101.8939 
Loop time of 5.52155 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.648 ns/day, 1.534 hours/ns, 181.109 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3308     | 5.3308     | 5.3308     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032124   | 0.032124   | 0.032124   |   0.0 |  0.58
Output  | 6.2187e-05 | 6.2187e-05 | 6.2187e-05 |   0.0 |  0.00
Modify  | 0.14006    | 0.14006    | 0.14006    |   0.0 |  2.54
Other   |            | 0.01852    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132232.0 ave      132232 max      132232 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132232
Ave neighs/atom = 66.116000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.252811952199, Press = -2.49732232060105
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -8406.1921   -8406.1921   -8483.1627   -8483.1627    297.88417    297.88417     23893.14     23893.14    1101.8939    1101.8939 
   14000   -8409.7927   -8409.7927   -8484.5486   -8484.5486    289.31298    289.31298    23866.627    23866.627    2529.6992    2529.6992 
Loop time of 5.50703 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.689 ns/day, 1.530 hours/ns, 181.586 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3159     | 5.3159     | 5.3159     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032224   | 0.032224   | 0.032224   |   0.0 |  0.59
Output  | 8.5048e-05 | 8.5048e-05 | 8.5048e-05 |   0.0 |  0.00
Modify  | 0.14031    | 0.14031    | 0.14031    |   0.0 |  2.55
Other   |            | 0.01847    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132332.0 ave      132332 max      132332 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132332
Ave neighs/atom = 66.166000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.225105386632, Press = -3.11813198787255
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -8409.7927   -8409.7927   -8484.5486   -8484.5486    289.31298    289.31298    23866.627    23866.627    2529.6992    2529.6992 
   15000   -8404.2775   -8404.2775   -8480.7586   -8480.7586    295.98982    295.98982    23882.395    23882.395    2281.2912    2281.2912 
Loop time of 5.50395 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.698 ns/day, 1.529 hours/ns, 181.688 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3135     | 5.3135     | 5.3135     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032081   | 0.032081   | 0.032081   |   0.0 |  0.58
Output  | 6.2589e-05 | 6.2589e-05 | 6.2589e-05 |   0.0 |  0.00
Modify  | 0.13986    | 0.13986    | 0.13986    |   0.0 |  2.54
Other   |            | 0.01845    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132444.0 ave      132444 max      132444 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132444
Ave neighs/atom = 66.222000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.115387574478, Press = -6.1275080613556
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -8404.2775   -8404.2775   -8480.7586   -8480.7586    295.98982    295.98982    23882.395    23882.395    2281.2912    2281.2912 
   16000   -8405.4305   -8405.4305    -8482.249    -8482.249    297.29572    297.29572    23889.833    23889.833    1381.9393    1381.9393 
Loop time of 5.51912 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.655 ns/day, 1.533 hours/ns, 181.188 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    | 5.3286     | 5.3286     | 5.3286     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032094   | 0.032094   | 0.032094   |   0.0 |  0.58
Output  | 6.1354e-05 | 6.1354e-05 | 6.1354e-05 |   0.0 |  0.00
Modify  | 0.13998    | 0.13998    | 0.13998    |   0.0 |  2.54
Other   |            | 0.01843    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132584.0 ave      132584 max      132584 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132584
Ave neighs/atom = 66.292000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.025727343503, Press = -2.85373126180953
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -8405.4305   -8405.4305    -8482.249    -8482.249    297.29572    297.29572    23889.833    23889.833    1381.9393    1381.9393 
   17000   -8408.5509   -8408.5509    -8484.063    -8484.063    292.23949    292.23949    23888.833    23888.833    1057.9833    1057.9833 
Loop time of 5.55279 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.560 ns/day, 1.542 hours/ns, 180.090 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    | 5.3586     | 5.3586     | 5.3586     |   0.0 | 96.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032619   | 0.032619   | 0.032619   |   0.0 |  0.59
Output  | 8.818e-05  | 8.818e-05  | 8.818e-05  |   0.0 |  0.00
Modify  | 0.14234    | 0.14234    | 0.14234    |   0.0 |  2.56
Other   |            | 0.01914    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132574.0 ave      132574 max      132574 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132574
Ave neighs/atom = 66.287000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.957838550404, Press = -1.40477776174273
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -8408.5509   -8408.5509    -8484.063    -8484.063    292.23949    292.23949    23888.833    23888.833    1057.9833    1057.9833 
   18000   -8407.0121   -8407.0121   -8484.6744   -8484.6744    300.56122    300.56122    23891.109    23891.109    819.02011    819.02011 
Loop time of 5.54318 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.587 ns/day, 1.540 hours/ns, 180.402 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3486     | 5.3486     | 5.3486     |   0.0 | 96.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032629   | 0.032629   | 0.032629   |   0.0 |  0.59
Output  | 6.1999e-05 | 6.1999e-05 | 6.1999e-05 |   0.0 |  0.00
Modify  | 0.14282    | 0.14282    | 0.14282    |   0.0 |  2.58
Other   |            | 0.01906    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132392.0 ave      132392 max      132392 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132392
Ave neighs/atom = 66.196000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.00062979854, Press = -3.23839289447682
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -8407.0121   -8407.0121   -8484.6744   -8484.6744    300.56122    300.56122    23891.109    23891.109    819.02011    819.02011 
   19000   -8402.9877   -8402.9877   -8482.2265   -8482.2265    306.66248    306.66248    23910.268    23910.268    200.84057    200.84057 
Loop time of 5.57653 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.494 ns/day, 1.549 hours/ns, 179.323 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3805     | 5.3805     | 5.3805     |   0.0 | 96.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032685   | 0.032685   | 0.032685   |   0.0 |  0.59
Output  | 6.2503e-05 | 6.2503e-05 | 6.2503e-05 |   0.0 |  0.00
Modify  | 0.14389    | 0.14389    | 0.14389    |   0.0 |  2.58
Other   |            | 0.01939    |            |       |  0.35

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132288.0 ave      132288 max      132288 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132288
Ave neighs/atom = 66.144000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.116998435591, Press = -2.22289147806141
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -8402.9877   -8402.9877   -8482.2265   -8482.2265    306.66248    306.66248    23910.268    23910.268    200.84057    200.84057 
   20000   -8409.4001   -8409.4001    -8481.968    -8481.968    280.84498    280.84498    23904.046    23904.046     350.4524     350.4524 
Loop time of 5.50424 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.697 ns/day, 1.529 hours/ns, 181.678 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3134     | 5.3134     | 5.3134     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032029   | 0.032029   | 0.032029   |   0.0 |  0.58
Output  | 6.0955e-05 | 6.0955e-05 | 6.0955e-05 |   0.0 |  0.00
Modify  | 0.14024    | 0.14024    | 0.14024    |   0.0 |  2.55
Other   |            | 0.01851    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132070.0 ave      132070 max      132070 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132070
Ave neighs/atom = 66.035000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.206940458866, Press = -1.87551619274905
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -8409.4001   -8409.4001    -8481.968    -8481.968    280.84498    280.84498    23904.046    23904.046     350.4524     350.4524 
   21000   -8404.8197   -8404.8197   -8482.0701   -8482.0701    298.96697    298.96697    23924.974    23924.974    -878.1795    -878.1795 
Loop time of 5.51103 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.678 ns/day, 1.531 hours/ns, 181.454 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3199     | 5.3199     | 5.3199     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032268   | 0.032268   | 0.032268   |   0.0 |  0.59
Output  | 6.3028e-05 | 6.3028e-05 | 6.3028e-05 |   0.0 |  0.00
Modify  | 0.14031    | 0.14031    | 0.14031    |   0.0 |  2.55
Other   |            | 0.01853    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132394.0 ave      132394 max      132394 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132394
Ave neighs/atom = 66.197000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.177800653371, Press = -3.22509665956731
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -8404.8197   -8404.8197   -8482.0701   -8482.0701    298.96697    298.96697    23924.974    23924.974    -878.1795    -878.1795 
   22000   -8406.0053   -8406.0053   -8482.0156   -8482.0156    294.16798    294.16798    23939.173    23939.173   -1832.5394   -1832.5394 
Loop time of 5.52026 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.651 ns/day, 1.533 hours/ns, 181.151 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3295     | 5.3295     | 5.3295     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032089   | 0.032089   | 0.032089   |   0.0 |  0.58
Output  | 8.4584e-05 | 8.4584e-05 | 8.4584e-05 |   0.0 |  0.00
Modify  | 0.14008    | 0.14008    | 0.14008    |   0.0 |  2.54
Other   |            | 0.01846    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132206.0 ave      132206 max      132206 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132206
Ave neighs/atom = 66.103000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.159769061287, Press = -4.21405729690541
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -8406.0053   -8406.0053   -8482.0156   -8482.0156    294.16798    294.16798    23939.173    23939.173   -1832.5394   -1832.5394 
   23000   -8407.6891   -8407.6891   -8482.9595   -8482.9595    291.30451    291.30451    23950.217    23950.217   -2938.3606   -2938.3606 
Loop time of 5.51605 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.663 ns/day, 1.532 hours/ns, 181.289 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3253     | 5.3253     | 5.3253     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032113   | 0.032113   | 0.032113   |   0.0 |  0.58
Output  | 6.2382e-05 | 6.2382e-05 | 6.2382e-05 |   0.0 |  0.00
Modify  | 0.14017    | 0.14017    | 0.14017    |   0.0 |  2.54
Other   |            | 0.01843    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132038.0 ave      132038 max      132038 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132038
Ave neighs/atom = 66.019000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.254129330581, Press = -3.97024929081555
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -8407.6891   -8407.6891   -8482.9595   -8482.9595    291.30451    291.30451    23950.217    23950.217   -2938.3606   -2938.3606 
   24000    -8404.258    -8404.258   -8482.0133   -8482.0133    300.92138    300.92138    23945.647    23945.647   -2200.5608   -2200.5608 
Loop time of 5.52209 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.646 ns/day, 1.534 hours/ns, 181.091 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3306     | 5.3306     | 5.3306     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032278   | 0.032278   | 0.032278   |   0.0 |  0.58
Output  | 6.8074e-05 | 6.8074e-05 | 6.8074e-05 |   0.0 |  0.00
Modify  | 0.14053    | 0.14053    | 0.14053    |   0.0 |  2.54
Other   |            | 0.01864    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131786.0 ave      131786 max      131786 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131786
Ave neighs/atom = 65.893000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.290360231685, Press = -2.48806602217518
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000    -8404.258    -8404.258   -8482.0133   -8482.0133    300.92138    300.92138    23945.647    23945.647   -2200.5608   -2200.5608 
   25000   -8410.4822   -8410.4822   -8483.5035   -8483.5035    282.60013    282.60013    23911.935    23911.935   -471.36461   -471.36461 
Loop time of 5.53701 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.604 ns/day, 1.538 hours/ns, 180.603 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    | 5.3441     | 5.3441     | 5.3441     |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032426   | 0.032426   | 0.032426   |   0.0 |  0.59
Output  | 6.1553e-05 | 6.1553e-05 | 6.1553e-05 |   0.0 |  0.00
Modify  | 0.14159    | 0.14159    | 0.14159    |   0.0 |  2.56
Other   |            | 0.01886    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132110.0 ave      132110 max      132110 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132110
Ave neighs/atom = 66.055000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.226270968139, Press = -1.94908132767839
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -8410.4822   -8410.4822   -8483.5035   -8483.5035    282.60013    282.60013    23911.935    23911.935   -471.36461   -471.36461 
   26000   -8406.1631   -8406.1631   -8480.9942   -8480.9942      289.604      289.604    23925.783    23925.783   -880.66026   -880.66026 
Loop time of 5.52391 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.641 ns/day, 1.534 hours/ns, 181.031 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3301     | 5.3301     | 5.3301     |   0.0 | 96.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032559   | 0.032559   | 0.032559   |   0.0 |  0.59
Output  | 7.5939e-05 | 7.5939e-05 | 7.5939e-05 |   0.0 |  0.00
Modify  | 0.14222    | 0.14222    | 0.14222    |   0.0 |  2.57
Other   |            | 0.01895    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132074.0 ave      132074 max      132074 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132074
Ave neighs/atom = 66.037000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.205290720287, Press = -1.58794699167726
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -8406.1631   -8406.1631   -8480.9942   -8480.9942      289.604      289.604    23925.783    23925.783   -880.66026   -880.66026 
   27000   -8405.4896   -8405.4896   -8479.6431   -8479.6431    286.98139    286.98139    23928.779    23928.779    -739.1317    -739.1317 
Loop time of 5.52469 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.639 ns/day, 1.535 hours/ns, 181.006 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3336     | 5.3336     | 5.3336     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032124   | 0.032124   | 0.032124   |   0.0 |  0.58
Output  | 6.0215e-05 | 6.0215e-05 | 6.0215e-05 |   0.0 |  0.00
Modify  | 0.14035    | 0.14035    | 0.14035    |   0.0 |  2.54
Other   |            | 0.01854    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132260.0 ave      132260 max      132260 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132260
Ave neighs/atom = 66.130000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.151128149508, Press = -1.2409653310484
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -8405.4896   -8405.4896   -8479.6431   -8479.6431    286.98139    286.98139    23928.779    23928.779    -739.1317    -739.1317 
   28000   -8407.5503   -8407.5503   -8484.3507   -8484.3507    297.22566    297.22566     23922.95     23922.95   -1259.2575   -1259.2575 
Loop time of 5.51422 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.669 ns/day, 1.532 hours/ns, 181.349 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3228     | 5.3228     | 5.3228     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032077   | 0.032077   | 0.032077   |   0.0 |  0.58
Output  | 5.9942e-05 | 5.9942e-05 | 5.9942e-05 |   0.0 |  0.00
Modify  | 0.14066    | 0.14066    | 0.14066    |   0.0 |  2.55
Other   |            | 0.01859    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132234.0 ave      132234 max      132234 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132234
Ave neighs/atom = 66.117000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.198043695237, Press = -1.67455620535651
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -8407.5503   -8407.5503   -8484.3507   -8484.3507    297.22566    297.22566     23922.95     23922.95   -1259.2575   -1259.2575 
   29000   -8404.5164   -8404.5164   -8479.7068   -8479.7068     290.9945     290.9945    23902.337    23902.337    1100.4504    1100.4504 
Loop time of 5.50915 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.683 ns/day, 1.530 hours/ns, 181.516 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3185     | 5.3185     | 5.3185     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032078   | 0.032078   | 0.032078   |   0.0 |  0.58
Output  | 6.2141e-05 | 6.2141e-05 | 6.2141e-05 |   0.0 |  0.00
Modify  | 0.14009    | 0.14009    | 0.14009    |   0.0 |  2.54
Other   |            | 0.01845    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132038.0 ave      132038 max      132038 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132038
Ave neighs/atom = 66.019000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.202149266964, Press = -2.82440630313012
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -8404.5164   -8404.5164   -8479.7068   -8479.7068     290.9945     290.9945    23902.337    23902.337    1100.4504    1100.4504 
   30000   -8410.5804   -8410.5804   -8485.0585   -8485.0585    288.23782    288.23782    23889.998    23889.998    871.92265    871.92265 
Loop time of 5.52643 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.634 ns/day, 1.535 hours/ns, 180.949 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3352     | 5.3352     | 5.3352     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032193   | 0.032193   | 0.032193   |   0.0 |  0.58
Output  | 9.0863e-05 | 9.0863e-05 | 9.0863e-05 |   0.0 |  0.00
Modify  | 0.14036    | 0.14036    | 0.14036    |   0.0 |  2.54
Other   |            | 0.01855    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132584.0 ave      132584 max      132584 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132584
Ave neighs/atom = 66.292000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.152710710364, Press = -3.38114608098452
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -8410.5804   -8410.5804   -8485.0585   -8485.0585    288.23782    288.23782    23889.998    23889.998    871.92265    871.92265 
   31000    -8405.241    -8405.241   -8481.6078   -8481.6078    295.54716    295.54716    23909.314    23909.314    305.06811    305.06811 
Loop time of 5.49459 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.725 ns/day, 1.526 hours/ns, 181.997 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3038     | 5.3038     | 5.3038     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03211    | 0.03211    | 0.03211    |   0.0 |  0.58
Output  | 6.2057e-05 | 6.2057e-05 | 6.2057e-05 |   0.0 |  0.00
Modify  | 0.14014    | 0.14014    | 0.14014    |   0.0 |  2.55
Other   |            | 0.01847    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132188.0 ave      132188 max      132188 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132188
Ave neighs/atom = 66.094000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.156140841908, Press = -2.92018747195222
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000    -8405.241    -8405.241   -8481.6078   -8481.6078    295.54716    295.54716    23909.314    23909.314    305.06811    305.06811 
   32000   -8409.8119   -8409.8119   -8483.1242   -8483.1242    283.72606    283.72606     23902.54     23902.54    290.95882    290.95882 
Loop time of 5.50863 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.684 ns/day, 1.530 hours/ns, 181.533 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3177     | 5.3177     | 5.3177     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032093   | 0.032093   | 0.032093   |   0.0 |  0.58
Output  | 6.0573e-05 | 6.0573e-05 | 6.0573e-05 |   0.0 |  0.00
Modify  | 0.14026    | 0.14026    | 0.14026    |   0.0 |  2.55
Other   |            | 0.01849    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132408.0 ave      132408 max      132408 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132408
Ave neighs/atom = 66.204000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.095360893802, Press = -3.09313692922346
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -8409.8119   -8409.8119   -8483.1242   -8483.1242    283.72606    283.72606     23902.54     23902.54    290.95882    290.95882 
   33000   -8404.6296   -8404.6296   -8481.5314   -8481.5314     297.6177     297.6177    23908.642    23908.642    295.91528    295.91528 
Loop time of 5.50957 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.682 ns/day, 1.530 hours/ns, 181.503 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.319      | 5.319      | 5.319      |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032112   | 0.032112   | 0.032112   |   0.0 |  0.58
Output  | 6.0216e-05 | 6.0216e-05 | 6.0216e-05 |   0.0 |  0.00
Modify  | 0.14002    | 0.14002    | 0.14002    |   0.0 |  2.54
Other   |            | 0.01841    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132306.0 ave      132306 max      132306 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132306
Ave neighs/atom = 66.153000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.11768881297, Press = -3.33797012151065
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -8404.6296   -8404.6296   -8481.5314   -8481.5314     297.6177     297.6177    23908.642    23908.642    295.91528    295.91528 
   34000   -8405.5282   -8405.5282   -8482.8382   -8482.8382    299.19763    299.19763    23911.159    23911.159   -104.53588   -104.53588 
Loop time of 5.51416 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.669 ns/day, 1.532 hours/ns, 181.351 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3235     | 5.3235     | 5.3235     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032066   | 0.032066   | 0.032066   |   0.0 |  0.58
Output  | 6.2441e-05 | 6.2441e-05 | 6.2441e-05 |   0.0 |  0.00
Modify  | 0.14003    | 0.14003    | 0.14003    |   0.0 |  2.54
Other   |            | 0.01846    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132296.0 ave      132296 max      132296 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132296
Ave neighs/atom = 66.148000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.097652980969, Press = -2.46814269259623
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -8405.5282   -8405.5282   -8482.8382   -8482.8382    299.19763    299.19763    23911.159    23911.159   -104.53588   -104.53588 
   35000   -8407.2985   -8407.2985   -8479.9339   -8479.9339    281.10642    281.10642    23905.974    23905.974    587.78474    587.78474 
Loop time of 5.51549 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.665 ns/day, 1.532 hours/ns, 181.308 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3246     | 5.3246     | 5.3246     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032106   | 0.032106   | 0.032106   |   0.0 |  0.58
Output  | 6.151e-05  | 6.151e-05  | 6.151e-05  |   0.0 |  0.00
Modify  | 0.14016    | 0.14016    | 0.14016    |   0.0 |  2.54
Other   |            | 0.01854    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132244.0 ave      132244 max      132244 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132244
Ave neighs/atom = 66.122000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.08808378086, Press = -1.51950383271537
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -8407.2985   -8407.2985   -8479.9339   -8479.9339    281.10642    281.10642    23905.974    23905.974    587.78474    587.78474 
   36000   -8401.8579   -8401.8579   -8480.7337   -8480.7337    305.25761    305.25761    23927.672    23927.672   -720.04609   -720.04609 
Loop time of 5.52428 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.640 ns/day, 1.535 hours/ns, 181.019 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3335     | 5.3335     | 5.3335     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032109   | 0.032109   | 0.032109   |   0.0 |  0.58
Output  | 6.2701e-05 | 6.2701e-05 | 6.2701e-05 |   0.0 |  0.00
Modify  | 0.14014    | 0.14014    | 0.14014    |   0.0 |  2.54
Other   |            | 0.01851    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132720.0 ave      132720 max      132720 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132720
Ave neighs/atom = 66.360000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.140828538442, Press = -1.85971040760966
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -8401.8579   -8401.8579   -8480.7337   -8480.7337    305.25761    305.25761    23927.672    23927.672   -720.04609   -720.04609 
   37000   -8406.8594   -8406.8594   -8483.4462   -8483.4462    296.39899    296.39899    23916.839    23916.839   -529.05479   -529.05479 
Loop time of 5.52689 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.633 ns/day, 1.535 hours/ns, 180.934 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3358     | 5.3358     | 5.3358     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032066   | 0.032066   | 0.032066   |   0.0 |  0.58
Output  | 6.2812e-05 | 6.2812e-05 | 6.2812e-05 |   0.0 |  0.00
Modify  | 0.14032    | 0.14032    | 0.14032    |   0.0 |  2.54
Other   |            | 0.01859    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132296.0 ave      132296 max      132296 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132296
Ave neighs/atom = 66.148000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.207208443133, Press = -1.21285100382454
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -8406.8594   -8406.8594   -8483.4462   -8483.4462    296.39899    296.39899    23916.839    23916.839   -529.05479   -529.05479 
   38000   -8405.7826   -8405.7826   -8482.2358   -8482.2358     295.8818     295.8818    23929.905    23929.905   -1239.1084   -1239.1084 
Loop time of 5.51278 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.673 ns/day, 1.531 hours/ns, 181.397 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3214     | 5.3214     | 5.3214     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032204   | 0.032204   | 0.032204   |   0.0 |  0.58
Output  | 6.6925e-05 | 6.6925e-05 | 6.6925e-05 |   0.0 |  0.00
Modify  | 0.14056    | 0.14056    | 0.14056    |   0.0 |  2.55
Other   |            | 0.01852    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132142.0 ave      132142 max      132142 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132142
Ave neighs/atom = 66.071000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.227968204716, Press = -1.66559334887784
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -8405.7826   -8405.7826   -8482.2358   -8482.2358     295.8818     295.8818    23929.905    23929.905   -1239.1084   -1239.1084 
   39000   -8408.7225   -8408.7225   -8482.6162   -8482.6162    285.97625    285.97625    23937.823    23937.823   -2086.4273   -2086.4273 
Loop time of 5.51631 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.663 ns/day, 1.532 hours/ns, 181.281 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3255     | 5.3255     | 5.3255     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032123   | 0.032123   | 0.032123   |   0.0 |  0.58
Output  | 6.0669e-05 | 6.0669e-05 | 6.0669e-05 |   0.0 |  0.00
Modify  | 0.14023    | 0.14023    | 0.14023    |   0.0 |  2.54
Other   |            | 0.01842    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132116.0 ave      132116 max      132116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132116
Ave neighs/atom = 66.058000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.204952703771, Press = -3.11301879885616
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -8408.7225   -8408.7225   -8482.6162   -8482.6162    285.97625    285.97625    23937.823    23937.823   -2086.4273   -2086.4273 
   40000   -8405.4882   -8405.4882   -8480.8658   -8480.8658    291.71939    291.71939    23942.653    23942.653   -1891.8725   -1891.8725 
Loop time of 5.52294 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.644 ns/day, 1.534 hours/ns, 181.063 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3316     | 5.3316     | 5.3316     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032122   | 0.032122   | 0.032122   |   0.0 |  0.58
Output  | 6.3561e-05 | 6.3561e-05 | 6.3561e-05 |   0.0 |  0.00
Modify  | 0.14055    | 0.14055    | 0.14055    |   0.0 |  2.54
Other   |            | 0.01862    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132138.0 ave      132138 max      132138 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132138
Ave neighs/atom = 66.069000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.209574843111, Press = -2.36291650792136
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -8405.4882   -8405.4882   -8480.8658   -8480.8658    291.71939    291.71939    23942.653    23942.653   -1891.8725   -1891.8725 
   41000   -8402.9522   -8402.9522   -8480.8299   -8480.8299    301.39497    301.39497     23924.96     23924.96   -539.85864   -539.85864 
Loop time of 5.51964 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.653 ns/day, 1.533 hours/ns, 181.171 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3285     | 5.3285     | 5.3285     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032183   | 0.032183   | 0.032183   |   0.0 |  0.58
Output  | 9.3305e-05 | 9.3305e-05 | 9.3305e-05 |   0.0 |  0.00
Modify  | 0.14036    | 0.14036    | 0.14036    |   0.0 |  2.54
Other   |            | 0.01854    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132070.0 ave      132070 max      132070 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132070
Ave neighs/atom = 66.035000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.252634372707, Press = -1.63628052546471
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -8402.9522   -8402.9522   -8480.8299   -8480.8299    301.39497    301.39497     23924.96     23924.96   -539.85864   -539.85864 
   42000   -8408.4085   -8408.4085   -8482.4948   -8482.4948    286.72166    286.72166    23909.984    23909.984    -70.57784    -70.57784 
Loop time of 5.51755 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.659 ns/day, 1.533 hours/ns, 181.240 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3266     | 5.3266     | 5.3266     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032097   | 0.032097   | 0.032097   |   0.0 |  0.58
Output  | 6.1485e-05 | 6.1485e-05 | 6.1485e-05 |   0.0 |  0.00
Modify  | 0.14031    | 0.14031    | 0.14031    |   0.0 |  2.54
Other   |            | 0.01846    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132274.0 ave      132274 max      132274 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132274
Ave neighs/atom = 66.137000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.330033076423, Press = -0.996154823636617
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -8408.4085   -8408.4085   -8482.4948   -8482.4948    286.72166    286.72166    23909.984    23909.984    -70.57784    -70.57784 
   43000   -8403.7745   -8403.7745    -8480.926    -8480.926    298.58433    298.58433    23927.493    23927.493   -759.80859   -759.80859 
Loop time of 5.52122 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.649 ns/day, 1.534 hours/ns, 181.119 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3304     | 5.3304     | 5.3304     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032093   | 0.032093   | 0.032093   |   0.0 |  0.58
Output  | 6.051e-05  | 6.051e-05  | 6.051e-05  |   0.0 |  0.00
Modify  | 0.14014    | 0.14014    | 0.14014    |   0.0 |  2.54
Other   |            | 0.01856    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132286.0 ave      132286 max      132286 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132286
Ave neighs/atom = 66.143000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.393037634847, Press = -1.6691521065699
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -8403.7745   -8403.7745    -8480.926    -8480.926    298.58433    298.58433    23927.493    23927.493   -759.80859   -759.80859 
   44000   -8405.3274   -8405.3274   -8481.0864   -8481.0864    293.19535    293.19535    23926.999    23926.999   -934.94947   -934.94947 
Loop time of 5.52021 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.652 ns/day, 1.533 hours/ns, 181.152 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3296     | 5.3296     | 5.3296     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031988   | 0.031988   | 0.031988   |   0.0 |  0.58
Output  | 6.0768e-05 | 6.0768e-05 | 6.0768e-05 |   0.0 |  0.00
Modify  | 0.1401     | 0.1401     | 0.1401     |   0.0 |  2.54
Other   |            | 0.01845    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132296.0 ave      132296 max      132296 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132296
Ave neighs/atom = 66.148000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.445423009054, Press = -2.67961234908133
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -8405.3274   -8405.3274   -8481.0864   -8481.0864    293.19535    293.19535    23926.999    23926.999   -934.94947   -934.94947 
   45000   -8405.2773   -8405.2773   -8481.9706   -8481.9706    296.81106    296.81106     23924.05     23924.05   -846.86879   -846.86879 
Loop time of 5.52999 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.624 ns/day, 1.536 hours/ns, 180.832 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3387     | 5.3387     | 5.3387     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032213   | 0.032213   | 0.032213   |   0.0 |  0.58
Output  | 6.1649e-05 | 6.1649e-05 | 6.1649e-05 |   0.0 |  0.00
Modify  | 0.14037    | 0.14037    | 0.14037    |   0.0 |  2.54
Other   |            | 0.01864    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132192.0 ave      132192 max      132192 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132192
Ave neighs/atom = 66.096000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.423283370983, Press = -2.79648437846631
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -8405.2773   -8405.2773   -8481.9706   -8481.9706    296.81106    296.81106     23924.05     23924.05   -846.86879   -846.86879 
   46000   -8407.1884   -8407.1884   -8480.9645   -8480.9645    285.52113    285.52113    23909.908    23909.908    261.90669    261.90669 
Loop time of 5.51958 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.653 ns/day, 1.533 hours/ns, 181.173 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3286     | 5.3286     | 5.3286     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03214    | 0.03214    | 0.03214    |   0.0 |  0.58
Output  | 6.2405e-05 | 6.2405e-05 | 6.2405e-05 |   0.0 |  0.00
Modify  | 0.14015    | 0.14015    | 0.14015    |   0.0 |  2.54
Other   |            | 0.01858    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132214.0 ave      132214 max      132214 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132214
Ave neighs/atom = 66.107000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.40221905032, Press = -1.67129327893166
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -8407.1884   -8407.1884   -8480.9645   -8480.9645    285.52113    285.52113    23909.908    23909.908    261.90669    261.90669 
   47000   -8408.2549   -8408.2549   -8484.2679   -8484.2679    294.17829    294.17829    23905.376    23905.376    3.4922126    3.4922126 
Loop time of 5.52282 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.644 ns/day, 1.534 hours/ns, 181.067 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3323     | 5.3323     | 5.3323     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03204    | 0.03204    | 0.03204    |   0.0 |  0.58
Output  | 6.1491e-05 | 6.1491e-05 | 6.1491e-05 |   0.0 |  0.00
Modify  | 0.13999    | 0.13999    | 0.13999    |   0.0 |  2.53
Other   |            | 0.01844    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132362.0 ave      132362 max      132362 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132362
Ave neighs/atom = 66.181000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.365551691621, Press = -1.10892716011774
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -8408.2549   -8408.2549   -8484.2679   -8484.2679    294.17829    294.17829    23905.376    23905.376    3.4922126    3.4922126 
   48000   -8406.1851   -8406.1851   -8481.6558   -8481.6558     292.0797     292.0797    23899.589    23899.589    899.52111    899.52111 
Loop time of 5.5163 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.663 ns/day, 1.532 hours/ns, 181.281 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3253     | 5.3253     | 5.3253     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032145   | 0.032145   | 0.032145   |   0.0 |  0.58
Output  | 5.6731e-05 | 5.6731e-05 | 5.6731e-05 |   0.0 |  0.00
Modify  | 0.14033    | 0.14033    | 0.14033    |   0.0 |  2.54
Other   |            | 0.01846    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132206.0 ave      132206 max      132206 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132206
Ave neighs/atom = 66.103000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.355214997567, Press = -0.931251416090533
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -8406.1851   -8406.1851   -8481.6558   -8481.6558     292.0797     292.0797    23899.589    23899.589    899.52111    899.52111 
   49000   -8407.5011   -8407.5011   -8483.2599   -8483.2599    293.19428    293.19428    23895.774    23895.774    769.09484    769.09484 
Loop time of 5.5121 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.675 ns/day, 1.531 hours/ns, 181.419 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3213     | 5.3213     | 5.3213     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032214   | 0.032214   | 0.032214   |   0.0 |  0.58
Output  | 6.2079e-05 | 6.2079e-05 | 6.2079e-05 |   0.0 |  0.00
Modify  | 0.14009    | 0.14009    | 0.14009    |   0.0 |  2.54
Other   |            | 0.01843    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132424.0 ave      132424 max      132424 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132424
Ave neighs/atom = 66.212000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.38145088434, Press = -1.32259653468128
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -8407.5011   -8407.5011   -8483.2599   -8483.2599    293.19428    293.19428    23895.774    23895.774    769.09484    769.09484 
   50000   -8403.4337   -8403.4337   -8481.7683   -8481.7683    303.16311    303.16311    23888.535    23888.535    1759.7442    1759.7442 
Loop time of 5.52133 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.648 ns/day, 1.534 hours/ns, 181.116 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3304     | 5.3304     | 5.3304     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032093   | 0.032093   | 0.032093   |   0.0 |  0.58
Output  | 6.0222e-05 | 6.0222e-05 | 6.0222e-05 |   0.0 |  0.00
Modify  | 0.14019    | 0.14019    | 0.14019    |   0.0 |  2.54
Other   |            | 0.01855    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132264.0 ave      132264 max      132264 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132264
Ave neighs/atom = 66.132000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.434776154607, Press = -2.00925354446696
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -8403.4337   -8403.4337   -8481.7683   -8481.7683    303.16311    303.16311    23888.535    23888.535    1759.7442    1759.7442 
   51000   -8408.5256   -8408.5256   -8482.9832   -8482.9832    288.15859    288.15859     23874.06     23874.06    2296.8337    2296.8337 
Loop time of 5.52735 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.631 ns/day, 1.535 hours/ns, 180.919 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3368     | 5.3368     | 5.3368     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032118   | 0.032118   | 0.032118   |   0.0 |  0.58
Output  | 5.3099e-05 | 5.3099e-05 | 5.3099e-05 |   0.0 |  0.00
Modify  | 0.14       | 0.14       | 0.14       |   0.0 |  2.53
Other   |            | 0.01842    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132466.0 ave      132466 max      132466 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132466
Ave neighs/atom = 66.233000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.468899575985, Press = -1.84457929140537
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -8408.5256   -8408.5256   -8482.9832   -8482.9832    288.15859    288.15859     23874.06     23874.06    2296.8337    2296.8337 
   52000   -8406.0457   -8406.0457   -8483.1156   -8483.1156    298.26859    298.26859    23888.394    23888.394    1469.7899    1469.7899 
Loop time of 5.52174 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.647 ns/day, 1.534 hours/ns, 181.102 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3312     | 5.3312     | 5.3312     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031944   | 0.031944   | 0.031944   |   0.0 |  0.58
Output  | 6.1454e-05 | 6.1454e-05 | 6.1454e-05 |   0.0 |  0.00
Modify  | 0.14014    | 0.14014    | 0.14014    |   0.0 |  2.54
Other   |            | 0.01843    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132486.0 ave      132486 max      132486 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132486
Ave neighs/atom = 66.243000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.476381753493, Press = -1.06621121682734
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -8406.0457   -8406.0457   -8483.1156   -8483.1156    298.26859    298.26859    23888.394    23888.394    1469.7899    1469.7899 
   53000   -8406.3953   -8406.3953   -8483.3721   -8483.3721    297.90826    297.90826    23890.064    23890.064    1157.4421    1157.4421 
Loop time of 5.52271 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.644 ns/day, 1.534 hours/ns, 181.070 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3306     | 5.3306     | 5.3306     |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032217   | 0.032217   | 0.032217   |   0.0 |  0.58
Output  | 6.1955e-05 | 6.1955e-05 | 6.1955e-05 |   0.0 |  0.00
Modify  | 0.14123    | 0.14123    | 0.14123    |   0.0 |  2.56
Other   |            | 0.01865    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132438.0 ave      132438 max      132438 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132438
Ave neighs/atom = 66.219000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.435286656872, Press = -0.627651379527033
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -8406.3953   -8406.3953   -8483.3721   -8483.3721    297.90826    297.90826    23890.064    23890.064    1157.4421    1157.4421 
   54000   -8408.2331   -8408.2331   -8483.3264   -8483.3264    290.61879    290.61879    23877.604    23877.604    2058.8167    2058.8167 
Loop time of 5.5507 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.566 ns/day, 1.542 hours/ns, 180.158 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3578     | 5.3578     | 5.3578     |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032463   | 0.032463   | 0.032463   |   0.0 |  0.58
Output  | 6.1787e-05 | 6.1787e-05 | 6.1787e-05 |   0.0 |  0.00
Modify  | 0.14168    | 0.14168    | 0.14168    |   0.0 |  2.55
Other   |            | 0.01873    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132520.0 ave      132520 max      132520 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132520
Ave neighs/atom = 66.260000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.432771989765, Press = -0.731799912067895
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -8408.2331   -8408.2331   -8483.3264   -8483.3264    290.61879    290.61879    23877.604    23877.604    2058.8167    2058.8167 
   55000   -8405.7887   -8405.7887   -8483.9802   -8483.9802    302.60889    302.60889     23886.41     23886.41    1478.3366    1478.3366 
Loop time of 5.54588 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.579 ns/day, 1.541 hours/ns, 180.314 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3525     | 5.3525     | 5.3525     |   0.0 | 96.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032432   | 0.032432   | 0.032432   |   0.0 |  0.58
Output  | 5.9024e-05 | 5.9024e-05 | 5.9024e-05 |   0.0 |  0.00
Modify  | 0.14205    | 0.14205    | 0.14205    |   0.0 |  2.56
Other   |            | 0.01887    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132428.0 ave      132428 max      132428 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132428
Ave neighs/atom = 66.214000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.386529057909, Press = -0.819576153081654
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -8405.7887   -8405.7887   -8483.9802   -8483.9802    302.60889    302.60889     23886.41     23886.41    1478.3366    1478.3366 
   56000   -8410.8366   -8410.8366   -8484.3797   -8484.3797     284.6194     284.6194    23870.159    23870.159    2340.1573    2340.1573 
Loop time of 5.51916 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.655 ns/day, 1.533 hours/ns, 181.187 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    | 5.3267     | 5.3267     | 5.3267     |   0.0 | 96.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032437   | 0.032437   | 0.032437   |   0.0 |  0.59
Output  | 6.1336e-05 | 6.1336e-05 | 6.1336e-05 |   0.0 |  0.00
Modify  | 0.14128    | 0.14128    | 0.14128    |   0.0 |  2.56
Other   |            | 0.01871    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132424.0 ave      132424 max      132424 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132424
Ave neighs/atom = 66.212000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.373556754517, Press = -0.551381379199465
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -8410.8366   -8410.8366   -8484.3797   -8484.3797     284.6194     284.6194    23870.159    23870.159    2340.1573    2340.1573 
   57000   -8405.1148   -8405.1148   -8481.1862   -8481.1862    294.40408    294.40408    23880.083    23880.083    2272.9454    2272.9454 
Loop time of 5.55156 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.563 ns/day, 1.542 hours/ns, 180.129 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3582     | 5.3582     | 5.3582     |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032482   | 0.032482   | 0.032482   |   0.0 |  0.59
Output  | 6.0572e-05 | 6.0572e-05 | 6.0572e-05 |   0.0 |  0.00
Modify  | 0.14203    | 0.14203    | 0.14203    |   0.0 |  2.56
Other   |            | 0.01881    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132470.0 ave      132470 max      132470 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132470
Ave neighs/atom = 66.235000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.372525620599, Press = -0.539774115886649
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -8405.1148   -8405.1148   -8481.1862   -8481.1862    294.40408    294.40408    23880.083    23880.083    2272.9454    2272.9454 
   58000   -8406.7894   -8406.7894   -8483.9424   -8483.9424    298.59007    298.59007    23873.656    23873.656    2356.0329    2356.0329 
Loop time of 5.54988 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.568 ns/day, 1.542 hours/ns, 180.184 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3574     | 5.3574     | 5.3574     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032279   | 0.032279   | 0.032279   |   0.0 |  0.58
Output  | 6.108e-05  | 6.108e-05  | 6.108e-05  |   0.0 |  0.00
Modify  | 0.14141    | 0.14141    | 0.14141    |   0.0 |  2.55
Other   |            | 0.01871    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132618.0 ave      132618 max      132618 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132618
Ave neighs/atom = 66.309000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.368366465629, Press = -0.300523495387908
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -8406.7894   -8406.7894   -8483.9424   -8483.9424    298.59007    298.59007    23873.656    23873.656    2356.0329    2356.0329 
   59000   -8405.4371   -8405.4371   -8481.5382   -8481.5382    294.51925    294.51925    23883.713    23883.713    1951.3006    1951.3006 
Loop time of 5.54386 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.585 ns/day, 1.540 hours/ns, 180.380 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3508     | 5.3508     | 5.3508     |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03236    | 0.03236    | 0.03236    |   0.0 |  0.58
Output  | 6.1809e-05 | 6.1809e-05 | 6.1809e-05 |   0.0 |  0.00
Modify  | 0.14174    | 0.14174    | 0.14174    |   0.0 |  2.56
Other   |            | 0.01886    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132436.0 ave      132436 max      132436 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132436
Ave neighs/atom = 66.218000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.416957276819, Press = -0.308826448225977
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -8405.4371   -8405.4371   -8481.5382   -8481.5382    294.51925    294.51925    23883.713    23883.713    1951.3006    1951.3006 
   60000   -8408.3624   -8408.3624   -8482.7608   -8482.7608    287.92961    287.92961    23872.562    23872.562    2482.9454    2482.9454 
Loop time of 5.53239 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.617 ns/day, 1.537 hours/ns, 180.754 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3406     | 5.3406     | 5.3406     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032173   | 0.032173   | 0.032173   |   0.0 |  0.58
Output  | 6.6652e-05 | 6.6652e-05 | 6.6652e-05 |   0.0 |  0.00
Modify  | 0.14092    | 0.14092    | 0.14092    |   0.0 |  2.55
Other   |            | 0.01859    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132350.0 ave      132350 max      132350 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132350
Ave neighs/atom = 66.175000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.435426730512, Press = -0.0210860819709727
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000   -8408.3624   -8408.3624   -8482.7608   -8482.7608    287.92961    287.92961    23872.562    23872.562    2482.9454    2482.9454 
   61000    -8404.992    -8404.992   -8481.4495   -8481.4495    295.89822    295.89822    23875.187    23875.187    2563.4773    2563.4773 
Loop time of 5.51414 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.669 ns/day, 1.532 hours/ns, 181.352 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3234     | 5.3234     | 5.3234     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032045   | 0.032045   | 0.032045   |   0.0 |  0.58
Output  | 6.2463e-05 | 6.2463e-05 | 6.2463e-05 |   0.0 |  0.00
Modify  | 0.14019    | 0.14019    | 0.14019    |   0.0 |  2.54
Other   |            | 0.01848    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132534.0 ave      132534 max      132534 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132534
Ave neighs/atom = 66.267000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.454940427255, Press = 0.0386491553517128
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000    -8404.992    -8404.992   -8481.4495   -8481.4495    295.89822    295.89822    23875.187    23875.187    2563.4773    2563.4773 
   62000   -8407.7673   -8407.7673    -8483.329    -8483.329    292.43136    292.43136    23883.962    23883.962    1641.8521    1641.8521 
Loop time of 5.54027 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.595 ns/day, 1.539 hours/ns, 180.497 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3493     | 5.3493     | 5.3493     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032017   | 0.032017   | 0.032017   |   0.0 |  0.58
Output  | 9.5214e-05 | 9.5214e-05 | 9.5214e-05 |   0.0 |  0.00
Modify  | 0.14032    | 0.14032    | 0.14032    |   0.0 |  2.53
Other   |            | 0.01852    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132500.0 ave      132500 max      132500 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132500
Ave neighs/atom = 66.250000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.469405565463, Press = 0.00411628267797262
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -8407.7673   -8407.7673    -8483.329    -8483.329    292.43136    292.43136    23883.962    23883.962    1641.8521    1641.8521 
   63000   -8405.4172   -8405.4172   -8482.8367   -8482.8367    299.62144    299.62144    23892.635    23892.635    1067.5596    1067.5596 
Loop time of 5.46474 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.810 ns/day, 1.518 hours/ns, 182.991 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2774     | 5.2774     | 5.2774     |   0.0 | 96.57
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031811   | 0.031811   | 0.031811   |   0.0 |  0.58
Output  | 6.106e-05  | 6.106e-05  | 6.106e-05  |   0.0 |  0.00
Modify  | 0.13728    | 0.13728    | 0.13728    |   0.0 |  2.51
Other   |            | 0.01815    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132300.0 ave      132300 max      132300 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132300
Ave neighs/atom = 66.150000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.458857852418, Press = -0.261962496209419
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -8405.4172   -8405.4172   -8482.8367   -8482.8367    299.62144    299.62144    23892.635    23892.635    1067.5596    1067.5596 
   64000   -8408.6204   -8408.6204   -8483.5419   -8483.5419    289.95384    289.95384    23900.872    23900.872    331.78982    331.78982 
Loop time of 5.44323 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.873 ns/day, 1.512 hours/ns, 183.714 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2566     | 5.2566     | 5.2566     |   0.0 | 96.57
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032022   | 0.032022   | 0.032022   |   0.0 |  0.59
Output  | 6.1516e-05 | 6.1516e-05 | 6.1516e-05 |   0.0 |  0.00
Modify  | 0.13639    | 0.13639    | 0.13639    |   0.0 |  2.51
Other   |            | 0.01811    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132320.0 ave      132320 max      132320 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132320
Ave neighs/atom = 66.160000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.471955964287, Press = -0.685327288058084
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -8408.6204   -8408.6204   -8483.5419   -8483.5419    289.95384    289.95384    23900.872    23900.872    331.78982    331.78982 
   65000   -8404.1034   -8404.1034   -8481.1007   -8481.1007    297.98733    297.98733    23891.166    23891.166    1546.4369    1546.4369 
Loop time of 5.34641 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.160 ns/day, 1.485 hours/ns, 187.042 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    | 5.1589     | 5.1589     | 5.1589     |   0.0 | 96.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032913   | 0.032913   | 0.032913   |   0.0 |  0.62
Output  | 6.1012e-05 | 6.1012e-05 | 6.1012e-05 |   0.0 |  0.00
Modify  | 0.1362     | 0.1362     | 0.1362     |   0.0 |  2.55
Other   |            | 0.01838    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132256.0 ave      132256 max      132256 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132256
Ave neighs/atom = 66.128000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.496485810238, Press = -1.06796270299657
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -8404.1034   -8404.1034   -8481.1007   -8481.1007    297.98733    297.98733    23891.166    23891.166    1546.4369    1546.4369 
   66000   -8410.8342   -8410.8342   -8483.7703   -8483.7703    282.27056    282.27056    23846.445    23846.445    3817.7263    3817.7263 
Loop time of 5.33855 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.184 ns/day, 1.483 hours/ns, 187.317 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1539     | 5.1539     | 5.1539     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03145    | 0.03145    | 0.03145    |   0.0 |  0.59
Output  | 6.0551e-05 | 6.0551e-05 | 6.0551e-05 |   0.0 |  0.00
Modify  | 0.13624    | 0.13624    | 0.13624    |   0.0 |  2.55
Other   |            | 0.01689    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132554.0 ave      132554 max      132554 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132554
Ave neighs/atom = 66.277000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.500790358183, Press = -1.43384215818064
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000   -8410.8342   -8410.8342   -8483.7703   -8483.7703    282.27056    282.27056    23846.445    23846.445    3817.7263    3817.7263 
   67000   -8404.6489   -8404.6489   -8482.2418   -8482.2418     300.2925     300.2925     23880.69     23880.69    2021.3219    2021.3219 
Loop time of 5.33573 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.193 ns/day, 1.482 hours/ns, 187.416 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1511     | 5.1511     | 5.1511     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031459   | 0.031459   | 0.031459   |   0.0 |  0.59
Output  | 6.0218e-05 | 6.0218e-05 | 6.0218e-05 |   0.0 |  0.00
Modify  | 0.1363     | 0.1363     | 0.1363     |   0.0 |  2.55
Other   |            | 0.01679    |            |       |  0.31

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132632.0 ave      132632 max      132632 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132632
Ave neighs/atom = 66.316000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.475098511966, Press = -0.896288197120948
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000   -8404.6489   -8404.6489   -8482.2418   -8482.2418     300.2925     300.2925     23880.69     23880.69    2021.3219    2021.3219 
   68000   -8403.4413   -8403.4413   -8480.8097   -8480.8097    299.42364    299.42364    23899.017    23899.017     994.9477     994.9477 
Loop time of 5.33512 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.195 ns/day, 1.482 hours/ns, 187.437 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1504     | 5.1504     | 5.1504     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031541   | 0.031541   | 0.031541   |   0.0 |  0.59
Output  | 5.9281e-05 | 5.9281e-05 | 5.9281e-05 |   0.0 |  0.00
Modify  | 0.13628    | 0.13628    | 0.13628    |   0.0 |  2.55
Other   |            | 0.01687    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132446.0 ave      132446 max      132446 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132446
Ave neighs/atom = 66.223000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.480163068567, Press = -0.668954324269972
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   68000   -8403.4413   -8403.4413   -8480.8097   -8480.8097    299.42364    299.42364    23899.017    23899.017     994.9477     994.9477 
   69000   -8407.0941   -8407.0941   -8483.3287   -8483.3287    295.03585    295.03585    23901.251    23901.251    401.09297    401.09297 
Loop time of 5.32898 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.213 ns/day, 1.480 hours/ns, 187.653 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1444     | 5.1444     | 5.1444     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031426   | 0.031426   | 0.031426   |   0.0 |  0.59
Output  | 6.0002e-05 | 6.0002e-05 | 6.0002e-05 |   0.0 |  0.00
Modify  | 0.1363     | 0.1363     | 0.1363     |   0.0 |  2.56
Other   |            | 0.01682    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132366.0 ave      132366 max      132366 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132366
Ave neighs/atom = 66.183000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.533426790733, Press = -0.886716536054532
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   69000   -8407.0941   -8407.0941   -8483.3287   -8483.3287    295.03585    295.03585    23901.251    23901.251    401.09297    401.09297 
   70000   -8405.7095   -8405.7095   -8481.3098   -8481.3098    292.58074    292.58074    23893.399    23893.399    1344.1481    1344.1481 
Loop time of 5.33952 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.181 ns/day, 1.483 hours/ns, 187.283 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1548     | 5.1548     | 5.1548     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03159    | 0.03159    | 0.03159    |   0.0 |  0.59
Output  | 5.3049e-05 | 5.3049e-05 | 5.3049e-05 |   0.0 |  0.00
Modify  | 0.13628    | 0.13628    | 0.13628    |   0.0 |  2.55
Other   |            | 0.01679    |            |       |  0.31

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132284.0 ave      132284 max      132284 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132284
Ave neighs/atom = 66.142000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.539185316085, Press = -0.502388121728042
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   70000   -8405.7095   -8405.7095   -8481.3098   -8481.3098    292.58074    292.58074    23893.399    23893.399    1344.1481    1344.1481 
   71000   -8407.2406   -8407.2406   -8481.3843   -8481.3843    286.94357    286.94357    23858.949    23858.949    3580.2849    3580.2849 
Loop time of 5.33395 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.198 ns/day, 1.482 hours/ns, 187.478 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1496     | 5.1496     | 5.1496     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031419   | 0.031419   | 0.031419   |   0.0 |  0.59
Output  | 6.1135e-05 | 6.1135e-05 | 6.1135e-05 |   0.0 |  0.00
Modify  | 0.13602    | 0.13602    | 0.13602    |   0.0 |  2.55
Other   |            | 0.01683    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132538.0 ave      132538 max      132538 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132538
Ave neighs/atom = 66.269000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.571348253652, Press = -0.653837536689766
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   71000   -8407.2406   -8407.2406   -8481.3843   -8481.3843    286.94357    286.94357    23858.949    23858.949    3580.2849    3580.2849 
   72000   -8403.4836   -8403.4836   -8479.8437   -8479.8437    295.52161    295.52161     23868.67     23868.67    3359.7416    3359.7416 
Loop time of 5.334 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.198 ns/day, 1.482 hours/ns, 187.476 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1496     | 5.1496     | 5.1496     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031428   | 0.031428   | 0.031428   |   0.0 |  0.59
Output  | 5.9393e-05 | 5.9393e-05 | 5.9393e-05 |   0.0 |  0.00
Modify  | 0.13614    | 0.13614    | 0.13614    |   0.0 |  2.55
Other   |            | 0.01681    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132680.0 ave      132680 max      132680 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132680
Ave neighs/atom = 66.340000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.598461234145, Press = -0.1518260019511
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   72000   -8403.4836   -8403.4836   -8479.8437   -8479.8437    295.52161    295.52161     23868.67     23868.67    3359.7416    3359.7416 
   73000   -8409.0715   -8409.0715   -8483.8033   -8483.8033    289.21979    289.21979    23867.906    23867.906    2494.8418    2494.8418 
Loop time of 5.34099 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.177 ns/day, 1.484 hours/ns, 187.231 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1561     | 5.1561     | 5.1561     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031594   | 0.031594   | 0.031594   |   0.0 |  0.59
Output  | 8.4777e-05 | 8.4777e-05 | 8.4777e-05 |   0.0 |  0.00
Modify  | 0.13641    | 0.13641    | 0.13641    |   0.0 |  2.55
Other   |            | 0.01686    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132856.0 ave      132856 max      132856 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132856
Ave neighs/atom = 66.428000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.615389982638, Press = -0.104869001414939
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   73000   -8409.0715   -8409.0715   -8483.8033   -8483.8033    289.21979    289.21979    23867.906    23867.906    2494.8418    2494.8418 
   74000   -8404.5591   -8404.5591   -8482.3255   -8482.3255    300.96408    300.96408     23889.55     23889.55    1462.5281    1462.5281 
Loop time of 5.32906 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.213 ns/day, 1.480 hours/ns, 187.650 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1446     | 5.1446     | 5.1446     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031521   | 0.031521   | 0.031521   |   0.0 |  0.59
Output  | 6.0745e-05 | 6.0745e-05 | 6.0745e-05 |   0.0 |  0.00
Modify  | 0.1361     | 0.1361     | 0.1361     |   0.0 |  2.55
Other   |            | 0.01681    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132496.0 ave      132496 max      132496 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132496
Ave neighs/atom = 66.248000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.608330203758, Press = -0.140366833864228
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   74000   -8404.5591   -8404.5591   -8482.3255   -8482.3255    300.96408    300.96408     23889.55     23889.55    1462.5281    1462.5281 
   75000   -8409.8375   -8409.8375   -8483.8322   -8483.8322    286.36713    286.36713    23890.816    23890.816    936.31587    936.31587 
Loop time of 5.33488 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.195 ns/day, 1.482 hours/ns, 187.446 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1501     | 5.1501     | 5.1501     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031509   | 0.031509   | 0.031509   |   0.0 |  0.59
Output  | 6.0919e-05 | 6.0919e-05 | 6.0919e-05 |   0.0 |  0.00
Modify  | 0.13636    | 0.13636    | 0.13636    |   0.0 |  2.56
Other   |            | 0.01685    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132614.0 ave      132614 max      132614 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132614
Ave neighs/atom = 66.307000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.581580954418, Press = -0.305818299213934
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   75000   -8409.8375   -8409.8375   -8483.8322   -8483.8322    286.36713    286.36713    23890.816    23890.816    936.31587    936.31587 
   76000   -8406.0554   -8406.0554   -8481.9443   -8481.9443    293.69771    293.69771    23907.256    23907.256    417.87706    417.87706 
Loop time of 5.32762 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.217 ns/day, 1.480 hours/ns, 187.701 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1432     | 5.1432     | 5.1432     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031512   | 0.031512   | 0.031512   |   0.0 |  0.59
Output  | 5.9634e-05 | 5.9634e-05 | 5.9634e-05 |   0.0 |  0.00
Modify  | 0.13599    | 0.13599    | 0.13599    |   0.0 |  2.55
Other   |            | 0.01683    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132286.0 ave      132286 max      132286 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132286
Ave neighs/atom = 66.143000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.571361016219, Press = -0.316111202788251
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   76000   -8406.0554   -8406.0554   -8481.9443   -8481.9443    293.69771    293.69771    23907.256    23907.256    417.87706    417.87706 
   77000   -8404.2086   -8404.2086    -8481.484    -8481.484    299.06348    299.06348    23906.356    23906.356    506.11043    506.11043 
Loop time of 5.33594 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.192 ns/day, 1.482 hours/ns, 187.408 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.151      | 5.151      | 5.151      |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031509   | 0.031509   | 0.031509   |   0.0 |  0.59
Output  | 6.136e-05  | 6.136e-05  | 6.136e-05  |   0.0 |  0.00
Modify  | 0.13648    | 0.13648    | 0.13648    |   0.0 |  2.56
Other   |            | 0.01692    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132340.0 ave      132340 max      132340 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132340
Ave neighs/atom = 66.170000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.553988356715, Press = -0.0831714029304813
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   77000   -8404.2086   -8404.2086    -8481.484    -8481.484    299.06348    299.06348    23906.356    23906.356    506.11043    506.11043 
   78000   -8409.4159   -8409.4159   -8482.3256   -8482.3256     282.1681     282.1681    23906.375    23906.375    168.37541    168.37541 
Loop time of 5.33645 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.191 ns/day, 1.482 hours/ns, 187.391 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1522     | 5.1522     | 5.1522     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031411   | 0.031411   | 0.031411   |   0.0 |  0.59
Output  | 6.0561e-05 | 6.0561e-05 | 6.0561e-05 |   0.0 |  0.00
Modify  | 0.13594    | 0.13594    | 0.13594    |   0.0 |  2.55
Other   |            | 0.01683    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132316.0 ave      132316 max      132316 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132316
Ave neighs/atom = 66.158000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.562731418923, Press = -0.188682506729675
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   78000   -8409.4159   -8409.4159   -8482.3256   -8482.3256     282.1681     282.1681    23906.375    23906.375    168.37541    168.37541 
   79000   -8406.3637   -8406.3637   -8482.0518   -8482.0518    292.92067    292.92067     23918.74     23918.74   -488.11438   -488.11438 
Loop time of 5.3349 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.195 ns/day, 1.482 hours/ns, 187.445 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1501     | 5.1501     | 5.1501     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031405   | 0.031405   | 0.031405   |   0.0 |  0.59
Output  | 6.354e-05  | 6.354e-05  | 6.354e-05  |   0.0 |  0.00
Modify  | 0.13649    | 0.13649    | 0.13649    |   0.0 |  2.56
Other   |            | 0.01681    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132378.0 ave      132378 max      132378 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132378
Ave neighs/atom = 66.189000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.574274623918, Press = -0.196995658913212
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   79000   -8406.3637   -8406.3637   -8482.0518   -8482.0518    292.92067    292.92067     23918.74     23918.74   -488.11438   -488.11438 
   80000   -8404.0507   -8404.0507   -8478.8584   -8478.8584    289.51366    289.51366    23935.347    23935.347   -1224.5025   -1224.5025 
Loop time of 5.33489 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.195 ns/day, 1.482 hours/ns, 187.445 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1507     | 5.1507     | 5.1507     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03137    | 0.03137    | 0.03137    |   0.0 |  0.59
Output  | 6.1391e-05 | 6.1391e-05 | 6.1391e-05 |   0.0 |  0.00
Modify  | 0.13598    | 0.13598    | 0.13598    |   0.0 |  2.55
Other   |            | 0.01678    |            |       |  0.31

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132008.0 ave      132008 max      132008 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132008
Ave neighs/atom = 66.004000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.579015531574, Press = -0.145219641504001
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   80000   -8404.0507   -8404.0507   -8478.8584   -8478.8584    289.51366    289.51366    23935.347    23935.347   -1224.5025   -1224.5025 
   81000    -8405.666    -8405.666   -8480.3472   -8480.3472    289.02399    289.02399    23936.059    23936.059   -1495.9405   -1495.9405 
Loop time of 5.32535 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.224 ns/day, 1.479 hours/ns, 187.781 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1409     | 5.1409     | 5.1409     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031431   | 0.031431   | 0.031431   |   0.0 |  0.59
Output  | 6.0328e-05 | 6.0328e-05 | 6.0328e-05 |   0.0 |  0.00
Modify  | 0.1362     | 0.1362     | 0.1362     |   0.0 |  2.56
Other   |            | 0.01681    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132402.0 ave      132402 max      132402 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132402
Ave neighs/atom = 66.201000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.59313115516, Press = -0.106538277767206
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   81000    -8405.666    -8405.666   -8480.3472   -8480.3472    289.02399    289.02399    23936.059    23936.059   -1495.9405   -1495.9405 
   82000   -8407.0595   -8407.0595   -8483.4792   -8483.4792    295.75223    295.75223    23936.121    23936.121   -1839.9555   -1839.9555 
Loop time of 5.33332 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.200 ns/day, 1.481 hours/ns, 187.501 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1486     | 5.1486     | 5.1486     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031654   | 0.031654   | 0.031654   |   0.0 |  0.59
Output  | 6.0669e-05 | 6.0669e-05 | 6.0669e-05 |   0.0 |  0.00
Modify  | 0.13615    | 0.13615    | 0.13615    |   0.0 |  2.55
Other   |            | 0.01682    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132264.0 ave      132264 max      132264 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132264
Ave neighs/atom = 66.132000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.594715292249, Press = -0.410256362963076
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   82000   -8407.0595   -8407.0595   -8483.4792   -8483.4792    295.75223    295.75223    23936.121    23936.121   -1839.9555   -1839.9555 
   83000   -8403.0326   -8403.0326   -8478.0569   -8478.0569    290.35203    290.35203    23958.362    23958.362   -2507.2544   -2507.2544 
Loop time of 5.32679 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.220 ns/day, 1.480 hours/ns, 187.730 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1424     | 5.1424     | 5.1424     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031362   | 0.031362   | 0.031362   |   0.0 |  0.59
Output  | 5.9914e-05 | 5.9914e-05 | 5.9914e-05 |   0.0 |  0.00
Modify  | 0.13613    | 0.13613    | 0.13613    |   0.0 |  2.56
Other   |            | 0.01685    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132088.0 ave      132088 max      132088 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132088
Ave neighs/atom = 66.044000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.629479395973, Press = -0.849479375869788
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   83000   -8403.0326   -8403.0326   -8478.0569   -8478.0569    290.35203    290.35203    23958.362    23958.362   -2507.2544   -2507.2544 
   84000   -8406.9209   -8406.9209   -8481.8873   -8481.8873    290.12791    290.12791    23952.873    23952.873   -2977.0331   -2977.0331 
Loop time of 5.31917 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.243 ns/day, 1.478 hours/ns, 187.999 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1348     | 5.1348     | 5.1348     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031403   | 0.031403   | 0.031403   |   0.0 |  0.59
Output  | 6.0586e-05 | 6.0586e-05 | 6.0586e-05 |   0.0 |  0.00
Modify  | 0.13608    | 0.13608    | 0.13608    |   0.0 |  2.56
Other   |            | 0.01684    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132130.0 ave      132130 max      132130 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132130
Ave neighs/atom = 66.065000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.658339288831, Press = -1.00742567554846
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   84000   -8406.9209   -8406.9209   -8481.8873   -8481.8873    290.12791    290.12791    23952.873    23952.873   -2977.0331   -2977.0331 
   85000     -8406.13     -8406.13   -8481.3546   -8481.3546    291.12684    291.12684    23937.243    23937.243   -1689.5189   -1689.5189 
Loop time of 5.32713 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.219 ns/day, 1.480 hours/ns, 187.718 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1425     | 5.1425     | 5.1425     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031391   | 0.031391   | 0.031391   |   0.0 |  0.59
Output  | 0.00025086 | 0.00025086 | 0.00025086 |   0.0 |  0.00
Modify  | 0.13619    | 0.13619    | 0.13619    |   0.0 |  2.56
Other   |            | 0.01683    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132014.0 ave      132014 max      132014 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132014
Ave neighs/atom = 66.007000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.693748360519, Press = -1.08062718756362
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   85000     -8406.13     -8406.13   -8481.3546   -8481.3546    291.12684    291.12684    23937.243    23937.243   -1689.5189   -1689.5189 
   86000   -8405.0366   -8405.0366   -8480.5689   -8480.5689    292.31758    292.31758    23920.079    23920.079   -346.45146   -346.45146 
Loop time of 5.32075 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.238 ns/day, 1.478 hours/ns, 187.944 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1366     | 5.1366     | 5.1366     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031435   | 0.031435   | 0.031435   |   0.0 |  0.59
Output  | 6.1818e-05 | 6.1818e-05 | 6.1818e-05 |   0.0 |  0.00
Modify  | 0.13588    | 0.13588    | 0.13588    |   0.0 |  2.55
Other   |            | 0.0168     |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132220.0 ave      132220 max      132220 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132220
Ave neighs/atom = 66.110000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.682408902331, Press = -0.76162015104103
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   86000   -8405.0366   -8405.0366   -8480.5689   -8480.5689    292.31758    292.31758    23920.079    23920.079   -346.45146   -346.45146 
   87000   -8411.7967   -8411.7967   -8485.7349   -8485.7349    286.14849    286.14849    23909.473    23909.473    -685.3527    -685.3527 
Loop time of 5.3297 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.211 ns/day, 1.480 hours/ns, 187.628 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1447     | 5.1447     | 5.1447     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031546   | 0.031546   | 0.031546   |   0.0 |  0.59
Output  | 6.0248e-05 | 6.0248e-05 | 6.0248e-05 |   0.0 |  0.00
Modify  | 0.13654    | 0.13654    | 0.13654    |   0.0 |  2.56
Other   |            | 0.01688    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132386.0 ave      132386 max      132386 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132386
Ave neighs/atom = 66.193000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.66569482731, Press = -0.722477096698562
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   87000   -8411.7967   -8411.7967   -8485.7349   -8485.7349    286.14849    286.14849    23909.473    23909.473    -685.3527    -685.3527 
   88000   -8404.3291   -8404.3291   -8481.3278   -8481.3278    297.99304    297.99304     23928.66     23928.66   -1047.7282   -1047.7282 
Loop time of 5.32724 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.219 ns/day, 1.480 hours/ns, 187.715 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.143      | 5.143      | 5.143      |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03135    | 0.03135    | 0.03135    |   0.0 |  0.59
Output  | 6.4286e-05 | 6.4286e-05 | 6.4286e-05 |   0.0 |  0.00
Modify  | 0.13605    | 0.13605    | 0.13605    |   0.0 |  2.55
Other   |            | 0.01681    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132062.0 ave      132062 max      132062 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132062
Ave neighs/atom = 66.031000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.663285714733, Press = -0.750108590009807
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   88000   -8404.3291   -8404.3291   -8481.3278   -8481.3278    297.99304    297.99304     23928.66     23928.66   -1047.7282   -1047.7282 
   89000    -8407.487    -8407.487    -8482.812    -8482.812    291.51531    291.51531    23928.098    23928.098   -1388.5423   -1388.5423 
Loop time of 5.33258 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.202 ns/day, 1.481 hours/ns, 187.526 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1482     | 5.1482     | 5.1482     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031388   | 0.031388   | 0.031388   |   0.0 |  0.59
Output  | 6.125e-05  | 6.125e-05  | 6.125e-05  |   0.0 |  0.00
Modify  | 0.13615    | 0.13615    | 0.13615    |   0.0 |  2.55
Other   |            | 0.01681    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132220.0 ave      132220 max      132220 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132220
Ave neighs/atom = 66.110000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.651719386954, Press = -0.982682621332156
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   89000    -8407.487    -8407.487    -8482.812    -8482.812    291.51531    291.51531    23928.098    23928.098   -1388.5423   -1388.5423 
   90000   -8405.3563   -8405.3563   -8482.4183   -8482.4183    298.23814    298.23814    23944.948    23944.948   -2394.3992   -2394.3992 
Loop time of 5.33209 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.204 ns/day, 1.481 hours/ns, 187.544 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1476     | 5.1476     | 5.1476     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031483   | 0.031483   | 0.031483   |   0.0 |  0.59
Output  | 6.0004e-05 | 6.0004e-05 | 6.0004e-05 |   0.0 |  0.00
Modify  | 0.13611    | 0.13611    | 0.13611    |   0.0 |  2.55
Other   |            | 0.0168     |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132198.0 ave      132198 max      132198 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132198
Ave neighs/atom = 66.099000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.626072942064, Press = -1.6855448688414
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   90000   -8405.3563   -8405.3563   -8482.4183   -8482.4183    298.23814    298.23814    23944.948    23944.948   -2394.3992   -2394.3992 
   91000   -8407.9562   -8407.9562   -8482.7854   -8482.7854    289.59683    289.59683    23914.573    23914.573   -401.04598   -401.04598 
Loop time of 5.32059 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.239 ns/day, 1.478 hours/ns, 187.949 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1364     | 5.1364     | 5.1364     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031368   | 0.031368   | 0.031368   |   0.0 |  0.59
Output  | 6.059e-05  | 6.059e-05  | 6.059e-05  |   0.0 |  0.00
Modify  | 0.13595    | 0.13595    | 0.13595    |   0.0 |  2.56
Other   |            | 0.01681    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131888.0 ave      131888 max      131888 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131888
Ave neighs/atom = 65.944000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.630546897115, Press = -1.04592740343955
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   91000   -8407.9562   -8407.9562   -8482.7854   -8482.7854    289.59683    289.59683    23914.573    23914.573   -401.04598   -401.04598 
   92000    -8404.793    -8404.793   -8482.4573   -8482.4573    300.56889    300.56889    23927.364    23927.364   -1129.9633   -1129.9633 
Loop time of 5.3165 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.251 ns/day, 1.477 hours/ns, 188.094 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1321     | 5.1321     | 5.1321     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031371   | 0.031371   | 0.031371   |   0.0 |  0.59
Output  | 6.6219e-05 | 6.6219e-05 | 6.6219e-05 |   0.0 |  0.00
Modify  | 0.13609    | 0.13609    | 0.13609    |   0.0 |  2.56
Other   |            | 0.01683    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132118.0 ave      132118 max      132118 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132118
Ave neighs/atom = 66.059000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.668757564969, Press = -0.827847413239729
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   92000    -8404.793    -8404.793   -8482.4573   -8482.4573    300.56889    300.56889    23927.364    23927.364   -1129.9633   -1129.9633 
   93000   -8404.8773   -8404.8773   -8482.9536   -8482.9536    302.16354    302.16354    23933.054    23933.054   -1634.0331   -1634.0331 
Loop time of 5.33272 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.202 ns/day, 1.481 hours/ns, 187.521 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1484     | 5.1484     | 5.1484     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031516   | 0.031516   | 0.031516   |   0.0 |  0.59
Output  | 6.0102e-05 | 6.0102e-05 | 6.0102e-05 |   0.0 |  0.00
Modify  | 0.13592    | 0.13592    | 0.13592    |   0.0 |  2.55
Other   |            | 0.0168     |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132192.0 ave      132192 max      132192 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132192
Ave neighs/atom = 66.096000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.682617091473, Press = -0.740759632957051
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   93000   -8404.8773   -8404.8773   -8482.9536   -8482.9536    302.16354    302.16354    23933.054    23933.054   -1634.0331   -1634.0331 
   94000   -8406.8453   -8406.8453   -8482.3603   -8482.3603    292.25079    292.25079    23927.859    23927.859   -1190.5718   -1190.5718 
Loop time of 5.32943 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.212 ns/day, 1.480 hours/ns, 187.637 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.145      | 5.145      | 5.145      |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031421   | 0.031421   | 0.031421   |   0.0 |  0.59
Output  | 6.0622e-05 | 6.0622e-05 | 6.0622e-05 |   0.0 |  0.00
Modify  | 0.13616    | 0.13616    | 0.13616    |   0.0 |  2.55
Other   |            | 0.01683    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132244.0 ave      132244 max      132244 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132244
Ave neighs/atom = 66.122000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.712333116522, Press = -0.702755978586318
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   94000   -8406.8453   -8406.8453   -8482.3603   -8482.3603    292.25079    292.25079    23927.859    23927.859   -1190.5718   -1190.5718 
   95000   -8403.8831   -8403.8831   -8481.5059   -8481.5059    300.40801    300.40801    23942.217    23942.217   -1966.1322   -1966.1322 
Loop time of 5.33682 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.189 ns/day, 1.482 hours/ns, 187.378 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1525     | 5.1525     | 5.1525     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031463   | 0.031463   | 0.031463   |   0.0 |  0.59
Output  | 6.211e-05  | 6.211e-05  | 6.211e-05  |   0.0 |  0.00
Modify  | 0.13604    | 0.13604    | 0.13604    |   0.0 |  2.55
Other   |            | 0.01678    |            |       |  0.31

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132032.0 ave      132032 max      132032 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132032
Ave neighs/atom = 66.016000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.729396933693, Press = -0.982411093540327
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   95000   -8403.8831   -8403.8831   -8481.5059   -8481.5059    300.40801    300.40801    23942.217    23942.217   -1966.1322   -1966.1322 
   96000   -8408.5523   -8408.5523   -8484.3455   -8484.3455    293.32771    293.32771     23955.74     23955.74   -3449.8766   -3449.8766 
Loop time of 5.33037 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.209 ns/day, 1.481 hours/ns, 187.604 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1458     | 5.1458     | 5.1458     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031311   | 0.031311   | 0.031311   |   0.0 |  0.59
Output  | 8.4686e-05 | 8.4686e-05 | 8.4686e-05 |   0.0 |  0.00
Modify  | 0.13629    | 0.13629    | 0.13629    |   0.0 |  2.56
Other   |            | 0.01685    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131980.0 ave      131980 max      131980 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131980
Ave neighs/atom = 65.990000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.752695707975, Press = -1.46298945108216
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   96000   -8408.5523   -8408.5523   -8484.3455   -8484.3455    293.32771    293.32771     23955.74     23955.74   -3449.8766   -3449.8766 
   97000    -8403.835    -8403.835   -8480.4174   -8480.4174     296.3819     296.3819    23936.276    23936.276   -1299.6419   -1299.6419 
Loop time of 5.31255 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.263 ns/day, 1.476 hours/ns, 188.234 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1279     | 5.1279     | 5.1279     |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031523   | 0.031523   | 0.031523   |   0.0 |  0.59
Output  | 6.1035e-05 | 6.1035e-05 | 6.1035e-05 |   0.0 |  0.00
Modify  | 0.13624    | 0.13624    | 0.13624    |   0.0 |  2.56
Other   |            | 0.01682    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131714.0 ave      131714 max      131714 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131714
Ave neighs/atom = 65.857000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.771222520609, Press = -0.780611452388605
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   97000    -8403.835    -8403.835   -8480.4174   -8480.4174     296.3819     296.3819    23936.276    23936.276   -1299.6419   -1299.6419 
   98000    -8406.874    -8406.874   -8483.1793   -8483.1793    295.30925    295.30925    23920.724    23920.724   -898.13614   -898.13614 
Loop time of 5.32863 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.214 ns/day, 1.480 hours/ns, 187.665 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1442     | 5.1442     | 5.1442     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031424   | 0.031424   | 0.031424   |   0.0 |  0.59
Output  | 6.0939e-05 | 6.0939e-05 | 6.0939e-05 |   0.0 |  0.00
Modify  | 0.13613    | 0.13613    | 0.13613    |   0.0 |  2.55
Other   |            | 0.01682    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132214.0 ave      132214 max      132214 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132214
Ave neighs/atom = 66.107000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.808089489021, Press = -0.653260929323215
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   98000    -8406.874    -8406.874   -8483.1793   -8483.1793    295.30925    295.30925    23920.724    23920.724   -898.13614   -898.13614 
   99000   -8404.2126   -8404.2126   -8482.7276   -8482.7276    303.86144    303.86144    23922.742    23922.742   -833.97362   -833.97362 
Loop time of 5.32552 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.224 ns/day, 1.479 hours/ns, 187.775 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1411     | 5.1411     | 5.1411     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031485   | 0.031485   | 0.031485   |   0.0 |  0.59
Output  | 6.1097e-05 | 6.1097e-05 | 6.1097e-05 |   0.0 |  0.00
Modify  | 0.13601    | 0.13601    | 0.13601    |   0.0 |  2.55
Other   |            | 0.01687    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132124.0 ave      132124 max      132124 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132124
Ave neighs/atom = 66.062000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.812087891299, Press = -0.613899944567528
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   99000   -8404.2126   -8404.2126   -8482.7276   -8482.7276    303.86144    303.86144    23922.742    23922.742   -833.97362   -833.97362 
  100000   -8406.6396   -8406.6396   -8482.3862   -8482.3862    293.14745    293.14745    23920.174    23920.174   -724.32004   -724.32004 
Loop time of 5.32931 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.212 ns/day, 1.480 hours/ns, 187.641 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1449     | 5.1449     | 5.1449     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031553   | 0.031553   | 0.031553   |   0.0 |  0.59
Output  | 5.9981e-05 | 5.9981e-05 | 5.9981e-05 |   0.0 |  0.00
Modify  | 0.13603    | 0.13603    | 0.13603    |   0.0 |  2.55
Other   |            | 0.0168     |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132116.0 ave      132116 max      132116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132116
Ave neighs/atom = 66.058000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.816518020936, Press = -0.854299030485149
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  100000   -8406.6396   -8406.6396   -8482.3862   -8482.3862    293.14745    293.14745    23920.174    23920.174   -724.32004   -724.32004 
  101000   -8402.6045   -8402.6045   -8480.7397   -8480.7397     302.3916     302.3916    23945.188    23945.188   -2004.5959   -2004.5959 
Loop time of 5.32732 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.218 ns/day, 1.480 hours/ns, 187.712 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1428     | 5.1428     | 5.1428     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031482   | 0.031482   | 0.031482   |   0.0 |  0.59
Output  | 6.0174e-05 | 6.0174e-05 | 6.0174e-05 |   0.0 |  0.00
Modify  | 0.13612    | 0.13612    | 0.13612    |   0.0 |  2.56
Other   |            | 0.01683    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132128.0 ave      132128 max      132128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132128
Ave neighs/atom = 66.064000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.820314890429, Press = -1.39754587068681
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  101000   -8402.6045   -8402.6045   -8480.7397   -8480.7397     302.3916     302.3916    23945.188    23945.188   -2004.5959   -2004.5959 
  102000   -8406.5892   -8406.5892   -8482.8498   -8482.8498    295.13639    295.13639    23912.474    23912.474   -245.45254   -245.45254 
Loop time of 5.32273 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.232 ns/day, 1.479 hours/ns, 187.873 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1384     | 5.1384     | 5.1384     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031355   | 0.031355   | 0.031355   |   0.0 |  0.59
Output  | 6.6915e-05 | 6.6915e-05 | 6.6915e-05 |   0.0 |  0.00
Modify  | 0.13613    | 0.13613    | 0.13613    |   0.0 |  2.56
Other   |            | 0.01683    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132070.0 ave      132070 max      132070 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132070
Ave neighs/atom = 66.035000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.839726037635, Press = -0.80382382674392
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  102000   -8406.5892   -8406.5892   -8482.8498   -8482.8498    295.13639    295.13639    23912.474    23912.474   -245.45254   -245.45254 
  103000   -8406.5465   -8406.5465   -8482.5679   -8482.5679    294.21055    294.21055    23915.149    23915.149    -343.9223    -343.9223 
Loop time of 5.32492 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.226 ns/day, 1.479 hours/ns, 187.796 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.141      | 5.141      | 5.141      |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031415   | 0.031415   | 0.031415   |   0.0 |  0.59
Output  | 5.5578e-05 | 5.5578e-05 | 5.5578e-05 |   0.0 |  0.00
Modify  | 0.13573    | 0.13573    | 0.13573    |   0.0 |  2.55
Other   |            | 0.01675    |            |       |  0.31

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132204.0 ave      132204 max      132204 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132204
Ave neighs/atom = 66.102000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.869705801607, Press = -0.603444923542373
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  103000   -8406.5465   -8406.5465   -8482.5679   -8482.5679    294.21055    294.21055    23915.149    23915.149    -343.9223    -343.9223 
  104000   -8405.5555   -8405.5555   -8482.7925   -8482.7925    298.91547    298.91547    23916.378    23916.378   -471.47233   -471.47233 
Loop time of 5.31711 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.249 ns/day, 1.477 hours/ns, 188.072 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1331     | 5.1331     | 5.1331     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031426   | 0.031426   | 0.031426   |   0.0 |  0.59
Output  | 4.5474e-05 | 4.5474e-05 | 4.5474e-05 |   0.0 |  0.00
Modify  | 0.1358     | 0.1358     | 0.1358     |   0.0 |  2.55
Other   |            | 0.01677    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132242.0 ave      132242 max      132242 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132242
Ave neighs/atom = 66.121000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.875711746064, Press = -0.467577477752941
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  104000   -8405.5555   -8405.5555   -8482.7925   -8482.7925    298.91547    298.91547    23916.378    23916.378   -471.47233   -471.47233 
  105000   -8407.8083   -8407.8083   -8482.5072   -8482.5072     289.0926     289.0926    23921.811    23921.811   -821.94655   -821.94655 
Loop time of 5.31851 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.245 ns/day, 1.477 hours/ns, 188.023 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1344     | 5.1344     | 5.1344     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031479   | 0.031479   | 0.031479   |   0.0 |  0.59
Output  | 4.2906e-05 | 4.2906e-05 | 4.2906e-05 |   0.0 |  0.00
Modify  | 0.13585    | 0.13585    | 0.13585    |   0.0 |  2.55
Other   |            | 0.01673    |            |       |  0.31

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132302.0 ave      132302 max      132302 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132302
Ave neighs/atom = 66.151000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.882598822289, Press = -0.592039364673458
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  105000   -8407.8083   -8407.8083   -8482.5072   -8482.5072     289.0926     289.0926    23921.811    23921.811   -821.94655   -821.94655 
  106000   -8403.3438   -8403.3438   -8481.2316   -8481.2316    301.43391    301.43391    23953.319    23953.319   -2567.8642   -2567.8642 
Loop time of 5.32654 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.221 ns/day, 1.480 hours/ns, 187.739 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1426     | 5.1426     | 5.1426     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031337   | 0.031337   | 0.031337   |   0.0 |  0.59
Output  | 4.727e-05  | 4.727e-05  | 4.727e-05  |   0.0 |  0.00
Modify  | 0.13578    | 0.13578    | 0.13578    |   0.0 |  2.55
Other   |            | 0.01679    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132212.0 ave      132212 max      132212 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132212
Ave neighs/atom = 66.106000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.905897370718, Press = -0.902868717548933
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  106000   -8403.3438   -8403.3438   -8481.2316   -8481.2316    301.43391    301.43391    23953.319    23953.319   -2567.8642   -2567.8642 
  107000   -8406.5972   -8406.5972   -8482.2397   -8482.2397    292.74437    292.74437    23944.453    23944.453   -2350.6643   -2350.6643 
Loop time of 5.31252 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.263 ns/day, 1.476 hours/ns, 188.235 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1285     | 5.1285     | 5.1285     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031424   | 0.031424   | 0.031424   |   0.0 |  0.59
Output  | 4.6672e-05 | 4.6672e-05 | 4.6672e-05 |   0.0 |  0.00
Modify  | 0.13576    | 0.13576    | 0.13576    |   0.0 |  2.56
Other   |            | 0.01677    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132056.0 ave      132056 max      132056 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132056
Ave neighs/atom = 66.028000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.907356603662, Press = -0.737109777808245
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  107000   -8406.5972   -8406.5972   -8482.2397   -8482.2397    292.74437    292.74437    23944.453    23944.453   -2350.6643   -2350.6643 
  108000   -8405.4169   -8405.4169   -8482.4618   -8482.4618    298.17167    298.17167    23922.826    23922.826   -922.10672   -922.10672 
Loop time of 5.31566 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.254 ns/day, 1.477 hours/ns, 188.123 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1317     | 5.1317     | 5.1317     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031417   | 0.031417   | 0.031417   |   0.0 |  0.59
Output  | 4.3602e-05 | 4.3602e-05 | 4.3602e-05 |   0.0 |  0.00
Modify  | 0.13574    | 0.13574    | 0.13574    |   0.0 |  2.55
Other   |            | 0.01676    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131996.0 ave      131996 max      131996 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131996
Ave neighs/atom = 65.998000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.931622667547, Press = -0.348245349791616
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  108000   -8405.4169   -8405.4169   -8482.4618   -8482.4618    298.17167    298.17167    23922.826    23922.826   -922.10672   -922.10672 
  109000   -8405.3159   -8405.3159   -8482.6254   -8482.6254    299.19607    299.19607    23919.767    23919.767   -641.42776   -641.42776 
Loop time of 5.32196 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.235 ns/day, 1.478 hours/ns, 187.901 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1381     | 5.1381     | 5.1381     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031369   | 0.031369   | 0.031369   |   0.0 |  0.59
Output  | 4.1939e-05 | 4.1939e-05 | 4.1939e-05 |   0.0 |  0.00
Modify  | 0.13569    | 0.13569    | 0.13569    |   0.0 |  2.55
Other   |            | 0.01673    |            |       |  0.31

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132132.0 ave      132132 max      132132 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132132
Ave neighs/atom = 66.066000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.944246060651, Press = -0.221631745625855
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  109000   -8405.3159   -8405.3159   -8482.6254   -8482.6254    299.19607    299.19607    23919.767    23919.767   -641.42776   -641.42776 
  110000   -8408.1776   -8408.1776   -8481.6559   -8481.6559    284.36846    284.36846    23912.627    23912.627   -147.97608   -147.97608 
Loop time of 5.32689 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.220 ns/day, 1.480 hours/ns, 187.727 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.143      | 5.143      | 5.143      |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031389   | 0.031389   | 0.031389   |   0.0 |  0.59
Output  | 4.4659e-05 | 4.4659e-05 | 4.4659e-05 |   0.0 |  0.00
Modify  | 0.13575    | 0.13575    | 0.13575    |   0.0 |  2.55
Other   |            | 0.01675    |            |       |  0.31

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132264.0 ave      132264 max      132264 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132264
Ave neighs/atom = 66.132000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.946650674418, Press = -0.324542689312792
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  110000   -8408.1776   -8408.1776   -8481.6559   -8481.6559    284.36846    284.36846    23912.627    23912.627   -147.97608   -147.97608 
  111000   -8407.2319   -8407.2319   -8483.0466   -8483.0466    293.41068    293.41068    23911.831    23911.831   -376.21658   -376.21658 
Loop time of 5.32789 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.217 ns/day, 1.480 hours/ns, 187.692 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1439     | 5.1439     | 5.1439     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031432   | 0.031432   | 0.031432   |   0.0 |  0.59
Output  | 4.3057e-05 | 4.3057e-05 | 4.3057e-05 |   0.0 |  0.00
Modify  | 0.13578    | 0.13578    | 0.13578    |   0.0 |  2.55
Other   |            | 0.01678    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132340.0 ave      132340 max      132340 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132340
Ave neighs/atom = 66.170000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.940188769221, Press = -0.438682158593302
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  111000   -8407.2319   -8407.2319   -8483.0466   -8483.0466    293.41068    293.41068    23911.831    23911.831   -376.21658   -376.21658 
  112000     -8408.61     -8408.61   -8483.9408   -8483.9408    291.53775    291.53775    23896.323    23896.323    599.01233    599.01233 
Loop time of 5.33581 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.192 ns/day, 1.482 hours/ns, 187.413 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1519     | 5.1519     | 5.1519     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031348   | 0.031348   | 0.031348   |   0.0 |  0.59
Output  | 4.4223e-05 | 4.4223e-05 | 4.4223e-05 |   0.0 |  0.00
Modify  | 0.13586    | 0.13586    | 0.13586    |   0.0 |  2.55
Other   |            | 0.0167     |            |       |  0.31

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132176.0 ave      132176 max      132176 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132176
Ave neighs/atom = 66.088000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.919479324255, Press = -0.655907920868434
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  112000     -8408.61     -8408.61   -8483.9408   -8483.9408    291.53775    291.53775    23896.323    23896.323    599.01233    599.01233 
  113000   -8407.4952   -8407.4952   -8483.3651   -8483.3651    293.62437    293.62437    23881.905    23881.905    1655.6767    1655.6767 
Loop time of 5.32093 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.238 ns/day, 1.478 hours/ns, 187.937 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1367     | 5.1367     | 5.1367     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031542   | 0.031542   | 0.031542   |   0.0 |  0.59
Output  | 6.1282e-05 | 6.1282e-05 | 6.1282e-05 |   0.0 |  0.00
Modify  | 0.13584    | 0.13584    | 0.13584    |   0.0 |  2.55
Other   |            | 0.01676    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132086.0 ave      132086 max      132086 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132086
Ave neighs/atom = 66.043000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.93482223331, Press = -0.593959595162802
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  113000   -8407.4952   -8407.4952   -8483.3651   -8483.3651    293.62437    293.62437    23881.905    23881.905    1655.6767    1655.6767 
  114000   -8403.2383   -8403.2383   -8482.0508   -8482.0508     305.0126     305.0126    23893.296    23893.296     1303.875     1303.875 
Loop time of 5.33046 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.209 ns/day, 1.481 hours/ns, 187.601 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1461     | 5.1461     | 5.1461     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031438   | 0.031438   | 0.031438   |   0.0 |  0.59
Output  | 6.0721e-05 | 6.0721e-05 | 6.0721e-05 |   0.0 |  0.00
Modify  | 0.13616    | 0.13616    | 0.13616    |   0.0 |  2.55
Other   |            | 0.01673    |            |       |  0.31

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132524.0 ave      132524 max      132524 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132524
Ave neighs/atom = 66.262000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.954238520573, Press = -0.512868016654501
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  114000   -8403.2383   -8403.2383   -8482.0508   -8482.0508     305.0126     305.0126    23893.296    23893.296     1303.875     1303.875 
  115000   -8407.6086   -8407.6086   -8482.3108   -8482.3108     289.1053     289.1053    23898.412    23898.412    714.65304    714.65304 
Loop time of 5.32927 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.212 ns/day, 1.480 hours/ns, 187.643 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1446     | 5.1446     | 5.1446     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031566   | 0.031566   | 0.031566   |   0.0 |  0.59
Output  | 6.1704e-05 | 6.1704e-05 | 6.1704e-05 |   0.0 |  0.00
Modify  | 0.13631    | 0.13631    | 0.13631    |   0.0 |  2.56
Other   |            | 0.01677    |            |       |  0.31

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132416.0 ave      132416 max      132416 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132416
Ave neighs/atom = 66.208000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.97795801153, Press = -0.356888110111426
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  115000   -8407.6086   -8407.6086   -8482.3108   -8482.3108     289.1053     289.1053    23898.412    23898.412    714.65304    714.65304 
  116000   -8401.9073   -8401.9073   -8481.4063   -8481.4063    307.66939    307.66939    23909.304    23909.304    465.74805    465.74805 
Loop time of 5.32829 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.215 ns/day, 1.480 hours/ns, 187.677 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1441     | 5.1441     | 5.1441     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031458   | 0.031458   | 0.031458   |   0.0 |  0.59
Output  | 6.1017e-05 | 6.1017e-05 | 6.1017e-05 |   0.0 |  0.00
Modify  | 0.13589    | 0.13589    | 0.13589    |   0.0 |  2.55
Other   |            | 0.01673    |            |       |  0.31

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132278.0 ave      132278 max      132278 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132278
Ave neighs/atom = 66.139000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.997953202844, Press = -0.210700421639972
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  116000   -8401.9073   -8401.9073   -8481.4063   -8481.4063    307.66939    307.66939    23909.304    23909.304    465.74805    465.74805 
  117000   -8407.8435   -8407.8435   -8482.3603   -8482.3603    288.38749    288.38749    23897.123    23897.123    882.48611    882.48611 
Loop time of 5.33211 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.204 ns/day, 1.481 hours/ns, 187.543 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1475     | 5.1475     | 5.1475     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0315     | 0.0315     | 0.0315     |   0.0 |  0.59
Output  | 6.1182e-05 | 6.1182e-05 | 6.1182e-05 |   0.0 |  0.00
Modify  | 0.13626    | 0.13626    | 0.13626    |   0.0 |  2.56
Other   |            | 0.01675    |            |       |  0.31

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132316.0 ave      132316 max      132316 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132316
Ave neighs/atom = 66.158000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.011109497937, Press = -0.2793287376515
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  117000   -8407.8435   -8407.8435   -8482.3603   -8482.3603    288.38749    288.38749    23897.123    23897.123    882.48611    882.48611 
  118000   -8405.6232   -8405.6232   -8481.8131   -8481.8131    294.86305    294.86305    23908.421    23908.421     184.8997     184.8997 
Loop time of 5.3357 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.193 ns/day, 1.482 hours/ns, 187.417 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1509     | 5.1509     | 5.1509     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031457   | 0.031457   | 0.031457   |   0.0 |  0.59
Output  | 8.6816e-05 | 8.6816e-05 | 8.6816e-05 |   0.0 |  0.00
Modify  | 0.13641    | 0.13641    | 0.13641    |   0.0 |  2.56
Other   |            | 0.01684    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132256.0 ave      132256 max      132256 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132256
Ave neighs/atom = 66.128000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.007591867334, Press = -0.356087203570958
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  118000   -8405.6232   -8405.6232   -8481.8131   -8481.8131    294.86305    294.86305    23908.421    23908.421     184.8997     184.8997 
  119000    -8409.208    -8409.208   -8483.2768   -8483.2768    286.65384    286.65384    23914.799    23914.799   -659.71071   -659.71071 
Loop time of 5.32811 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.216 ns/day, 1.480 hours/ns, 187.684 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1436     | 5.1436     | 5.1436     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031509   | 0.031509   | 0.031509   |   0.0 |  0.59
Output  | 6.1026e-05 | 6.1026e-05 | 6.1026e-05 |   0.0 |  0.00
Modify  | 0.1361     | 0.1361     | 0.1361     |   0.0 |  2.55
Other   |            | 0.01684    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132268.0 ave      132268 max      132268 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132268
Ave neighs/atom = 66.134000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.992353816986, Press = -0.377431539842606
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  119000    -8409.208    -8409.208   -8483.2768   -8483.2768    286.65384    286.65384    23914.799    23914.799   -659.71071   -659.71071 
  120000   -8405.4855   -8405.4855   -8482.3409   -8482.3409    297.43835    297.43835    23913.012    23913.012   -230.01782   -230.01782 
Loop time of 5.32392 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.229 ns/day, 1.479 hours/ns, 187.831 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1391     | 5.1391     | 5.1391     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031616   | 0.031616   | 0.031616   |   0.0 |  0.59
Output  | 6.0565e-05 | 6.0565e-05 | 6.0565e-05 |   0.0 |  0.00
Modify  | 0.13635    | 0.13635    | 0.13635    |   0.0 |  2.56
Other   |            | 0.01682    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132094.0 ave      132094 max      132094 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132094
Ave neighs/atom = 66.047000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.005003990753, Press = -0.60680616744148
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  120000   -8405.4855   -8405.4855   -8482.3409   -8482.3409    297.43835    297.43835    23913.012    23913.012   -230.01782   -230.01782 
  121000   -8405.6228   -8405.6228   -8482.1063   -8482.1063    295.99926    295.99926    23916.083    23916.083   -273.25844   -273.25844 
Loop time of 5.32812 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.216 ns/day, 1.480 hours/ns, 187.683 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1436     | 5.1436     | 5.1436     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031444   | 0.031444   | 0.031444   |   0.0 |  0.59
Output  | 5.8985e-05 | 5.8985e-05 | 5.8985e-05 |   0.0 |  0.00
Modify  | 0.13628    | 0.13628    | 0.13628    |   0.0 |  2.56
Other   |            | 0.01675    |            |       |  0.31

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132410.0 ave      132410 max      132410 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132410
Ave neighs/atom = 66.205000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.005384889154, Press = -0.770739643218044
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  121000   -8405.6228   -8405.6228   -8482.1063   -8482.1063    295.99926    295.99926    23916.083    23916.083   -273.25844   -273.25844 
  122000   -8411.2314   -8411.2314   -8485.7541   -8485.7541    288.41051    288.41051    23905.478    23905.478   -394.01335   -394.01335 
Loop time of 5.33245 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.203 ns/day, 1.481 hours/ns, 187.531 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1478     | 5.1478     | 5.1478     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031424   | 0.031424   | 0.031424   |   0.0 |  0.59
Output  | 6.1783e-05 | 6.1783e-05 | 6.1783e-05 |   0.0 |  0.00
Modify  | 0.13639    | 0.13639    | 0.13639    |   0.0 |  2.56
Other   |            | 0.01681    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132220.0 ave      132220 max      132220 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132220
Ave neighs/atom = 66.110000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.996414036366, Press = -0.78338064332046
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  122000   -8411.2314   -8411.2314   -8485.7541   -8485.7541    288.41051    288.41051    23905.478    23905.478   -394.01335   -394.01335 
  123000   -8404.3918   -8404.3918   -8481.8043   -8481.8043    299.59428    299.59428    23913.312    23913.312   -67.375277   -67.375277 
Loop time of 5.33205 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.204 ns/day, 1.481 hours/ns, 187.545 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1476     | 5.1476     | 5.1476     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031382   | 0.031382   | 0.031382   |   0.0 |  0.59
Output  | 6.5194e-05 | 6.5194e-05 | 6.5194e-05 |   0.0 |  0.00
Modify  | 0.13619    | 0.13619    | 0.13619    |   0.0 |  2.55
Other   |            | 0.01677    |            |       |  0.31

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131900.0 ave      131900 max      131900 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131900
Ave neighs/atom = 65.950000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.988305800088, Press = -0.734340421702331
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  123000   -8404.3918   -8404.3918   -8481.8043   -8481.8043    299.59428    299.59428    23913.312    23913.312   -67.375277   -67.375277 
  124000   -8409.7346   -8409.7346   -8484.2143   -8484.2143    288.24393    288.24393    23909.812    23909.812   -364.03271   -364.03271 
Loop time of 5.337 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.189 ns/day, 1.483 hours/ns, 187.371 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1528     | 5.1528     | 5.1528     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031537   | 0.031537   | 0.031537   |   0.0 |  0.59
Output  | 5.9872e-05 | 5.9872e-05 | 5.9872e-05 |   0.0 |  0.00
Modify  | 0.1358     | 0.1358     | 0.1358     |   0.0 |  2.54
Other   |            | 0.01683    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132152.0 ave      132152 max      132152 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132152
Ave neighs/atom = 66.076000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.984865539964, Press = -0.311755625459872
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  124000   -8409.7346   -8409.7346   -8484.2143   -8484.2143    288.24393    288.24393    23909.812    23909.812   -364.03271   -364.03271 
  125000   -8404.9002   -8404.9002   -8481.7055   -8481.7055    297.24445    297.24445    23918.383    23918.383   -490.19937   -490.19937 
Loop time of 5.33439 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.197 ns/day, 1.482 hours/ns, 187.463 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1503     | 5.1503     | 5.1503     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031502   | 0.031502   | 0.031502   |   0.0 |  0.59
Output  | 4.3626e-05 | 4.3626e-05 | 4.3626e-05 |   0.0 |  0.00
Modify  | 0.13582    | 0.13582    | 0.13582    |   0.0 |  2.55
Other   |            | 0.01677    |            |       |  0.31

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132112.0 ave      132112 max      132112 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132112
Ave neighs/atom = 66.056000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.968441465436, Press = -0.217984010015574
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  125000   -8404.9002   -8404.9002   -8481.7055   -8481.7055    297.24445    297.24445    23918.383    23918.383   -490.19937   -490.19937 
  126000   -8406.5768   -8406.5768    -8483.171    -8483.171    296.42753    296.42753    23918.577    23918.577   -630.25511   -630.25511 
Loop time of 5.33918 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.182 ns/day, 1.483 hours/ns, 187.295 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1541     | 5.1541     | 5.1541     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031441   | 0.031441   | 0.031441   |   0.0 |  0.59
Output  | 6.1329e-05 | 6.1329e-05 | 6.1329e-05 |   0.0 |  0.00
Modify  | 0.13665    | 0.13665    | 0.13665    |   0.0 |  2.56
Other   |            | 0.01696    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132214.0 ave      132214 max      132214 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132214
Ave neighs/atom = 66.107000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.957451307463, Press = -0.223117019002028
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  126000   -8406.5768   -8406.5768    -8483.171    -8483.171    296.42753    296.42753    23918.577    23918.577   -630.25511   -630.25511 
  127000   -8406.2049   -8406.2049   -8484.2608   -8484.2608    302.08455    302.08455    23922.657    23922.657   -1145.7904   -1145.7904 
Loop time of 5.33801 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.186 ns/day, 1.483 hours/ns, 187.336 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1528     | 5.1528     | 5.1528     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031584   | 0.031584   | 0.031584   |   0.0 |  0.59
Output  | 6.1267e-05 | 6.1267e-05 | 6.1267e-05 |   0.0 |  0.00
Modify  | 0.13664    | 0.13664    | 0.13664    |   0.0 |  2.56
Other   |            | 0.01688    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131966.0 ave      131966 max      131966 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131966
Ave neighs/atom = 65.983000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.93712054246, Press = -0.245676719939743
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  127000   -8406.2049   -8406.2049   -8484.2608   -8484.2608    302.08455    302.08455    23922.657    23922.657   -1145.7904   -1145.7904 
  128000   -8409.3005   -8409.3005   -8484.3132   -8484.3132    290.30685    290.30685    23929.345    23929.345    -1618.646    -1618.646 
Loop time of 5.35202 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.143 ns/day, 1.487 hours/ns, 186.845 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1659     | 5.1659     | 5.1659     |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031679   | 0.031679   | 0.031679   |   0.0 |  0.59
Output  | 6.0922e-05 | 6.0922e-05 | 6.0922e-05 |   0.0 |  0.00
Modify  | 0.13726    | 0.13726    | 0.13726    |   0.0 |  2.56
Other   |            | 0.01708    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131920.0 ave      131920 max      131920 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131920
Ave neighs/atom = 65.960000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.928465641939, Press = -0.279120525135763
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  128000   -8409.3005   -8409.3005   -8484.3132   -8484.3132    290.30685    290.30685    23929.345    23929.345    -1618.646    -1618.646 
  129000   -8406.4258   -8406.4258   -8482.3354   -8482.3354    293.77828    293.77828    23946.375    23946.375   -2395.3096   -2395.3096 
Loop time of 5.32762 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.217 ns/day, 1.480 hours/ns, 187.701 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1425     | 5.1425     | 5.1425     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031578   | 0.031578   | 0.031578   |   0.0 |  0.59
Output  | 6.1169e-05 | 6.1169e-05 | 6.1169e-05 |   0.0 |  0.00
Modify  | 0.13656    | 0.13656    | 0.13656    |   0.0 |  2.56
Other   |            | 0.01692    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      131986.0 ave      131986 max      131986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 131986
Ave neighs/atom = 65.993000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.941126526362, Press = -0.487791457881769
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  129000   -8406.4258   -8406.4258   -8482.3354   -8482.3354    293.77828    293.77828    23946.375    23946.375   -2395.3096   -2395.3096 
  130000   -8404.3058   -8404.3058   -8480.8033   -8480.8033    296.05326    296.05326    23951.018    23951.018   -2506.5783   -2506.5783 
Loop time of 5.33601 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.192 ns/day, 1.482 hours/ns, 187.406 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1499     | 5.1499     | 5.1499     |   0.0 | 96.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031717   | 0.031717   | 0.031717   |   0.0 |  0.59
Output  | 6.1503e-05 | 6.1503e-05 | 6.1503e-05 |   0.0 |  0.00
Modify  | 0.13722    | 0.13722    | 0.13722    |   0.0 |  2.57
Other   |            | 0.01712    |            |       |  0.32

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132052.0 ave      132052 max      132052 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132052
Ave neighs/atom = 66.026000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${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_T293.15.out"  else  "print 'not_converged'  file output/vol_T293.15.out"
print '${V}'  file output/vol_T293.15.out
23910.2340997386

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0