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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 3.5192936509847637*${_u_distance}
variable latticeconst_converted equal 3.5192936509847637*1
lattice       fcc  ${latticeconst_converted}
lattice       fcc  3.51929365098476
Lattice spacing in x,y,z = 3.5192937 3.5192937 3.5192937
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (35.192937 35.192937 35.192937)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 4000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (35.192937 35.192937 35.192937)
  create_atoms CPU = 0.001 seconds

variable mass_converted equal 58.6934*${_u_mass}
variable mass_converted equal 58.6934*1

kim_interactions Ni

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

kim interactions Ni
#=== BEGIN kim interactions ==================================
pair_style kim EAM_Dynamo_BelandTammMu_2017_FeNiCr__MO_715003088863_000
pair_coeff * * Ni
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 58.6934

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 43587.9574278218    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 43587.9574278218/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 43587.9574278218/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 43587.9574278218/(1*1*${_u_distance})
variable      V0_metal equal 43587.9574278218/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 43587.9574278218*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 43587.9574278218 Angstroms^3

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

variable temp_converted equal 273.15*${_u_temperature}
variable temp_converted equal 273.15*1
variable Tdamp_converted equal 0.1*${_u_time}
variable Tdamp_converted equal 0.1*1
variable press_converted equal 0.0*${_u_pressure}
variable press_converted equal 0.0*1
variable Pdamp_converted equal 1*${_u_time}
variable Pdamp_converted equal 1*1

# create initial velocities consistent with the chosen temperature
velocity      all create ${temp_converted} 17 mom yes rot yes
velocity      all create 273.15 17 mom yes rot yes

# set NPT ensemble for all atoms
fix           ensemble all npt temp ${temp_converted} ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 273.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 273.15 273.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 273.15 273.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 273.15 273.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 273.15 273.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 273.15 273.15 0.1               iso 0 0 1

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

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

# set error bounds for temperature and pressure in original metal units (K and bar)
variable      T_low equal  "273.15 - 0.2"
variable      T_up  equal  "273.15 + 0.2"
variable      P_low equal  "0.0 - 0.2"
variable      P_up  equal  "0.0 + 0.2"

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

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

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

Your simulation uses code contributions which should be cited:

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

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

- OpenKIM potential: https://openkim.org/cite/MO_715003088863_000#item-citation

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -17657.775   -17657.775   -17798.969   -17798.969       273.15       273.15    43587.957    43587.957    3459.9948    3459.9948 
    1000   -17503.484   -17503.484   -17646.568   -17646.568    276.80642    276.80642    43629.966    43629.966   -1195.0268   -1195.0268 
Loop time of 27.8202 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.106 ns/day, 7.728 hours/ns, 35.945 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 27.416     | 27.416     | 27.416     |   0.0 | 98.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.064799   | 0.064799   | 0.064799   |   0.0 |  0.23
Output  | 0.00029139 | 0.00029139 | 0.00029139 |   0.0 |  0.00
Modify  | 0.29235    | 0.29235    | 0.29235    |   0.0 |  1.05
Other   |            | 0.04659    |            |       |  0.17

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      704000.0 ave      704000 max      704000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 704000
Ave neighs/atom = 176.00000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -17503.484   -17503.484   -17646.568   -17646.568    276.80642    276.80642    43629.966    43629.966   -1195.0268   -1195.0268 
    2000   -17514.329   -17514.329   -17655.458   -17655.458    273.02247    273.02247    43603.307    43603.307   -313.72821   -313.72821 
Loop time of 27.5328 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.138 ns/day, 7.648 hours/ns, 36.320 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    | 27.151     | 27.151     | 27.151     |   0.0 | 98.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06235    | 0.06235    | 0.06235    |   0.0 |  0.23
Output  | 0.00013283 | 0.00013283 | 0.00013283 |   0.0 |  0.00
Modify  | 0.2782     | 0.2782     | 0.2782     |   0.0 |  1.01
Other   |            | 0.04099    |            |       |  0.15

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      696666.0 ave      696666 max      696666 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 696666
Ave neighs/atom = 174.16650
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -17514.329   -17514.329   -17655.458   -17655.458    273.02247    273.02247    43603.307    43603.307   -313.72821   -313.72821 
    3000   -17512.444   -17512.444   -17651.787   -17651.787    269.56808    269.56808    43600.486    43600.486   -162.27236   -162.27236 
Loop time of 27.5263 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.139 ns/day, 7.646 hours/ns, 36.329 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    | 27.148     | 27.148     | 27.148     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062164   | 0.062164   | 0.062164   |   0.0 |  0.23
Output  | 0.00012953 | 0.00012953 | 0.00012953 |   0.0 |  0.00
Modify  | 0.27565    | 0.27565    | 0.27565    |   0.0 |  1.00
Other   |            | 0.04058    |            |       |  0.15

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697162.0 ave      697162 max      697162 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697162
Ave neighs/atom = 174.29050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -17512.444   -17512.444   -17651.787   -17651.787    269.56808    269.56808    43600.486    43600.486   -162.27236   -162.27236 
    4000   -17511.247   -17511.247   -17652.443   -17652.443      273.153      273.153    43602.177    43602.177   -462.14338   -462.14338 
Loop time of 27.5277 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.139 ns/day, 7.647 hours/ns, 36.327 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 27.15      | 27.15      | 27.15      |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062308   | 0.062308   | 0.062308   |   0.0 |  0.23
Output  | 0.00013323 | 0.00013323 | 0.00013323 |   0.0 |  0.00
Modify  | 0.2753     | 0.2753     | 0.2753     |   0.0 |  1.00
Other   |            | 0.0401     |            |       |  0.15

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      696844.0 ave      696844 max      696844 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 696844
Ave neighs/atom = 174.21100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -17511.247   -17511.247   -17652.443   -17652.443      273.153      273.153    43602.177    43602.177   -462.14338   -462.14338 
    5000   -17513.816   -17513.816   -17647.867   -17647.867    259.33142    259.33142     43597.32     43597.32   -391.80849   -391.80849 
Loop time of 27.5475 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.136 ns/day, 7.652 hours/ns, 36.301 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    | 27.169     | 27.169     | 27.169     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06207    | 0.06207    | 0.06207    |   0.0 |  0.23
Output  | 0.00011037 | 0.00011037 | 0.00011037 |   0.0 |  0.00
Modify  | 0.2766     | 0.2766     | 0.2766     |   0.0 |  1.00
Other   |            | 0.04002    |            |       |  0.15

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      696304.0 ave      696304 max      696304 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 696304
Ave neighs/atom = 174.07600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 271.730960525017, Press = -362.526801762194
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -17513.816   -17513.816   -17647.867   -17647.867    259.33142    259.33142     43597.32     43597.32   -391.80849   -391.80849 
    6000   -17509.726   -17509.726   -17648.849   -17648.849    269.14366    269.14366    43620.588    43620.588   -1036.2969   -1036.2969 
Loop time of 27.5824 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.132 ns/day, 7.662 hours/ns, 36.255 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 27.195     | 27.195     | 27.195     |   0.0 | 98.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062282   | 0.062282   | 0.062282   |   0.0 |  0.23
Output  | 7.4523e-05 | 7.4523e-05 | 7.4523e-05 |   0.0 |  0.00
Modify  | 0.28457    | 0.28457    | 0.28457    |   0.0 |  1.03
Other   |            | 0.04045    |            |       |  0.15

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      696928.0 ave      696928 max      696928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 696928
Ave neighs/atom = 174.23200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.839873872973, Press = -27.3653049069622
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -17509.726   -17509.726   -17648.849   -17648.849    269.14366    269.14366    43620.588    43620.588   -1036.2969   -1036.2969 
    7000   -17513.864   -17513.864   -17659.601   -17659.601    281.93646    281.93646    43644.221    43644.221   -1689.9163   -1689.9163 
Loop time of 27.6647 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.123 ns/day, 7.685 hours/ns, 36.147 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    | 27.276     | 27.276     | 27.276     |   0.0 | 98.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062198   | 0.062198   | 0.062198   |   0.0 |  0.22
Output  | 9.9754e-05 | 9.9754e-05 | 9.9754e-05 |   0.0 |  0.00
Modify  | 0.28496    | 0.28496    | 0.28496    |   0.0 |  1.03
Other   |            | 0.0411     |            |       |  0.15

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      696386.0 ave      696386 max      696386 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 696386
Ave neighs/atom = 174.09650
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.047159972929, Press = -15.8570605921436
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -17513.864   -17513.864   -17659.601   -17659.601    281.93646    281.93646    43644.221    43644.221   -1689.9163   -1689.9163 
    8000   -17512.165   -17512.165   -17655.317   -17655.317    276.93867    276.93867    43645.303    43645.303   -1795.0786   -1795.0786 
Loop time of 27.698 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.119 ns/day, 7.694 hours/ns, 36.104 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 27.307     | 27.307     | 27.307     |   0.0 | 98.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062582   | 0.062582   | 0.062582   |   0.0 |  0.23
Output  | 7.2888e-05 | 7.2888e-05 | 7.2888e-05 |   0.0 |  0.00
Modify  | 0.28695    | 0.28695    | 0.28695    |   0.0 |  1.04
Other   |            | 0.04138    |            |       |  0.15

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697974.0 ave      697974 max      697974 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697974
Ave neighs/atom = 174.49350
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.912964319428, Press = -15.1572115362947
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -17512.165   -17512.165   -17655.317   -17655.317    276.93867    276.93867    43645.303    43645.303   -1795.0786   -1795.0786 
    9000   -17509.458   -17509.458    -17652.37    -17652.37    276.47204    276.47204    43638.202    43638.202   -1609.1103   -1609.1103 
Loop time of 27.5602 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.135 ns/day, 7.656 hours/ns, 36.284 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 27.174     | 27.174     | 27.174     |   0.0 | 98.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.062269   | 0.062269   | 0.062269   |   0.0 |  0.23
Output  | 7.4479e-05 | 7.4479e-05 | 7.4479e-05 |   0.0 |  0.00
Modify  | 0.28312    | 0.28312    | 0.28312    |   0.0 |  1.03
Other   |            | 0.04046    |            |       |  0.15

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      696622.0 ave      696622 max      696622 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 696622
Ave neighs/atom = 174.15550
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.91672038541, Press = -9.50271370811704
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -17509.458   -17509.458    -17652.37    -17652.37    276.47204    276.47204    43638.202    43638.202   -1609.1103   -1609.1103 
   10000   -17515.047   -17515.047   -17656.401   -17656.401    273.45903    273.45903    43615.474    43615.474   -789.76149   -789.76149 
Loop time of 27.5663 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.134 ns/day, 7.657 hours/ns, 36.276 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 27.18      | 27.18      | 27.18      |   0.0 | 98.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06224    | 0.06224    | 0.06224    |   0.0 |  0.23
Output  | 0.00010515 | 0.00010515 | 0.00010515 |   0.0 |  0.00
Modify  | 0.28364    | 0.28364    | 0.28364    |   0.0 |  1.03
Other   |            | 0.04046    |            |       |  0.15

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697166.0 ave      697166 max      697166 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697166
Ave neighs/atom = 174.29150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.703668450343, Press = -3.68081232592441
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -17515.047   -17515.047   -17656.401   -17656.401    273.45903    273.45903    43615.474    43615.474   -789.76149   -789.76149 
   11000   -17511.814   -17511.814   -17647.816   -17647.816    263.10475    263.10475    43605.997    43605.997   -406.83114   -406.83114 
Loop time of 27.6302 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.127 ns/day, 7.675 hours/ns, 36.192 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 27.238     | 27.238     | 27.238     |   0.0 | 98.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.06248    | 0.06248    | 0.06248    |   0.0 |  0.23
Output  | 8.0757e-05 | 8.0757e-05 | 8.0757e-05 |   0.0 |  0.00
Modify  | 0.2864     | 0.2864     | 0.2864     |   0.0 |  1.04
Other   |            | 0.04281    |            |       |  0.15

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697214.0 ave      697214 max      697214 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697214
Ave neighs/atom = 174.30350
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.655397202295, Press = -2.95470720166099
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -17511.814   -17511.814   -17647.816   -17647.816    263.10475    263.10475    43605.997    43605.997   -406.83114   -406.83114 
   12000   -17516.362   -17516.362   -17654.649   -17654.649    267.52425    267.52425    43615.259    43615.259   -816.59739   -816.59739 
Loop time of 27.8622 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.101 ns/day, 7.739 hours/ns, 35.891 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    | 27.454     | 27.454     | 27.454     |   0.0 | 98.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.064635   | 0.064635   | 0.064635   |   0.0 |  0.23
Output  | 0.00019867 | 0.00019867 | 0.00019867 |   0.0 |  0.00
Modify  | 0.29774    | 0.29774    | 0.29774    |   0.0 |  1.07
Other   |            | 0.04541    |            |       |  0.16

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      696404.0 ave      696404 max      696404 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 696404
Ave neighs/atom = 174.10100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.496628122902, Press = -3.17109437097664
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -17516.362   -17516.362   -17654.649   -17654.649    267.52425    267.52425    43615.259    43615.259   -816.59739   -816.59739 
   13000   -17511.452   -17511.452   -17650.616   -17650.616    269.22075    269.22075      43625.4      43625.4   -1283.4489   -1283.4489 
Loop time of 28.1588 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.068 ns/day, 7.822 hours/ns, 35.513 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 27.749     | 27.749     | 27.749     |   0.0 | 98.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063533   | 0.063533   | 0.063533   |   0.0 |  0.23
Output  | 8.8724e-05 | 8.8724e-05 | 8.8724e-05 |   0.0 |  0.00
Modify  | 0.30195    | 0.30195    | 0.30195    |   0.0 |  1.07
Other   |            | 0.04457    |            |       |  0.16

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697112.0 ave      697112 max      697112 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697112
Ave neighs/atom = 174.27800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.438868696322, Press = -8.32152847540389
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -17511.452   -17511.452   -17650.616   -17650.616    269.22075    269.22075      43625.4      43625.4   -1283.4489   -1283.4489 
   14000    -17517.26    -17517.26   -17656.779   -17656.779    269.90819    269.90819    43618.177    43618.177   -989.98489   -989.98489 
Loop time of 28.4367 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.038 ns/day, 7.899 hours/ns, 35.166 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 28.014     | 28.014     | 28.014     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.064999   | 0.064999   | 0.064999   |   0.0 |  0.23
Output  | 9.7882e-05 | 9.7882e-05 | 9.7882e-05 |   0.0 |  0.00
Modify  | 0.30986    | 0.30986    | 0.30986    |   0.0 |  1.09
Other   |            | 0.04758    |            |       |  0.17

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      696616.0 ave      696616 max      696616 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 696616
Ave neighs/atom = 174.15400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.356246588076, Press = -8.18768940750721
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000    -17517.26    -17517.26   -17656.779   -17656.779    269.90819    269.90819    43618.177    43618.177   -989.98489   -989.98489 
   15000   -17512.383   -17512.383   -17652.362   -17652.362    270.80048    270.80048    43610.437    43610.437   -617.71605   -617.71605 
Loop time of 26.9603 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.205 ns/day, 7.489 hours/ns, 37.092 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.591     | 26.591     | 26.591     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059679   | 0.059679   | 0.059679   |   0.0 |  0.22
Output  | 0.0003509  | 0.0003509  | 0.0003509  |   0.0 |  0.00
Modify  | 0.27189    | 0.27189    | 0.27189    |   0.0 |  1.01
Other   |            | 0.03773    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697322.0 ave      697322 max      697322 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697322
Ave neighs/atom = 174.33050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.335227196906, Press = -7.56497283065259
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -17512.383   -17512.383   -17652.362   -17652.362    270.80048    270.80048    43610.437    43610.437   -617.71605   -617.71605 
   16000   -17512.309   -17512.309   -17656.687   -17656.687    279.31048    279.31048    43593.694    43593.694    143.88039    143.88039 
Loop time of 28.5468 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.027 ns/day, 7.930 hours/ns, 35.030 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 28.123     | 28.123     | 28.123     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.065913   | 0.065913   | 0.065913   |   0.0 |  0.23
Output  | 9.2968e-05 | 9.2968e-05 | 9.2968e-05 |   0.0 |  0.00
Modify  | 0.30888    | 0.30888    | 0.30888    |   0.0 |  1.08
Other   |            | 0.04862    |            |       |  0.17

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      696626.0 ave      696626 max      696626 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 696626
Ave neighs/atom = 174.15650
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.38603080096, Press = -4.23149898597751
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -17512.309   -17512.309   -17656.687   -17656.687    279.31048    279.31048    43593.694    43593.694    143.88039    143.88039 
   17000   -17510.031   -17510.031   -17653.383   -17653.383    277.32461    277.32461    43593.595    43593.595    152.11138    152.11138 
Loop time of 26.9662 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.204 ns/day, 7.491 hours/ns, 37.084 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.595     | 26.595     | 26.595     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.05996    | 0.05996    | 0.05996    |   0.0 |  0.22
Output  | 9.2439e-05 | 9.2439e-05 | 9.2439e-05 |   0.0 |  0.00
Modify  | 0.27341    | 0.27341    | 0.27341    |   0.0 |  1.01
Other   |            | 0.03802    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      698012.0 ave      698012 max      698012 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 698012
Ave neighs/atom = 174.50300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.526047217328, Press = -2.90497941669148
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -17510.031   -17510.031   -17653.383   -17653.383    277.32461    277.32461    43593.595    43593.595    152.11138    152.11138 
   18000   -17515.618   -17515.618   -17659.936   -17659.936    279.19462    279.19462    43579.607    43579.607    821.11593    821.11593 
Loop time of 26.9642 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.204 ns/day, 7.490 hours/ns, 37.086 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.593     | 26.593     | 26.593     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059854   | 0.059854   | 0.059854   |   0.0 |  0.22
Output  | 0.00010491 | 0.00010491 | 0.00010491 |   0.0 |  0.00
Modify  | 0.27289    | 0.27289    | 0.27289    |   0.0 |  1.01
Other   |            | 0.03805    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697378.0 ave      697378 max      697378 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697378
Ave neighs/atom = 174.34450
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.501992216545, Press = -3.30288813074117
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -17515.618   -17515.618   -17659.936   -17659.936    279.19462    279.19462    43579.607    43579.607    821.11593    821.11593 
   19000   -17514.468   -17514.468   -17653.995   -17653.995    269.92424    269.92424    43588.526    43588.526    197.49303    197.49303 
Loop time of 27.0427 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.195 ns/day, 7.512 hours/ns, 36.979 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.67      | 26.67      | 26.67      |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059799   | 0.059799   | 0.059799   |   0.0 |  0.22
Output  | 9.7845e-05 | 9.7845e-05 | 9.7845e-05 |   0.0 |  0.00
Modify  | 0.27422    | 0.27422    | 0.27422    |   0.0 |  1.01
Other   |            | 0.03827    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      698542.0 ave      698542 max      698542 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 698542
Ave neighs/atom = 174.63550
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.463473114166, Press = -1.59549532702792
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -17514.468   -17514.468   -17653.995   -17653.995    269.92424    269.92424    43588.526    43588.526    197.49303    197.49303 
   20000   -17512.894   -17512.894   -17652.307   -17652.307    269.70415    269.70415    43599.384    43599.384   -299.80188   -299.80188 
Loop time of 27.0746 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.191 ns/day, 7.521 hours/ns, 36.935 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.698     | 26.698     | 26.698     |   0.0 | 98.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060554   | 0.060554   | 0.060554   |   0.0 |  0.22
Output  | 7.3444e-05 | 7.3444e-05 | 7.3444e-05 |   0.0 |  0.00
Modify  | 0.27651    | 0.27651    | 0.27651    |   0.0 |  1.02
Other   |            | 0.03902    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697312.0 ave      697312 max      697312 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697312
Ave neighs/atom = 174.32800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.560583139722, Press = -2.01389177021657
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -17512.894   -17512.894   -17652.307   -17652.307    269.70415    269.70415    43599.384    43599.384   -299.80188   -299.80188 
   21000    -17510.85    -17510.85   -17654.046   -17654.046    277.02287    277.02287    43591.031    43591.031    165.61655    165.61655 
Loop time of 26.9672 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.204 ns/day, 7.491 hours/ns, 37.082 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.597     | 26.597     | 26.597     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059603   | 0.059603   | 0.059603   |   0.0 |  0.22
Output  | 9.657e-05  | 9.657e-05  | 9.657e-05  |   0.0 |  0.00
Modify  | 0.2724     | 0.2724     | 0.2724     |   0.0 |  1.01
Other   |            | 0.03799    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697128.0 ave      697128 max      697128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697128
Ave neighs/atom = 174.28200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.52242253987, Press = -1.08440493662267
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000    -17510.85    -17510.85   -17654.046   -17654.046    277.02287    277.02287    43591.031    43591.031    165.61655    165.61655 
   22000   -17516.447   -17516.447   -17655.096   -17655.096    268.22494    268.22494    43580.211    43580.211    414.92976    414.92976 
Loop time of 26.934 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.208 ns/day, 7.482 hours/ns, 37.128 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.564     | 26.564     | 26.564     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.05955    | 0.05955    | 0.05955    |   0.0 |  0.22
Output  | 7.4594e-05 | 7.4594e-05 | 7.4594e-05 |   0.0 |  0.00
Modify  | 0.27225    | 0.27225    | 0.27225    |   0.0 |  1.01
Other   |            | 0.03795    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697554.0 ave      697554 max      697554 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697554
Ave neighs/atom = 174.38850
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.462219922356, Press = -1.08193734390027
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -17516.447   -17516.447   -17655.096   -17655.096    268.22494    268.22494    43580.211    43580.211    414.92976    414.92976 
   23000   -17510.046   -17510.046   -17651.476   -17651.476    273.60531    273.60531     43582.98     43582.98    505.98869    505.98869 
Loop time of 27.0895 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.189 ns/day, 7.525 hours/ns, 36.915 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.714     | 26.714     | 26.714     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060585   | 0.060585   | 0.060585   |   0.0 |  0.22
Output  | 9.5623e-05 | 9.5623e-05 | 9.5623e-05 |   0.0 |  0.00
Modify  | 0.27614    | 0.27614    | 0.27614    |   0.0 |  1.02
Other   |            | 0.03834    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697492.0 ave      697492 max      697492 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697492
Ave neighs/atom = 174.37300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.438599346103, Press = -0.862802919879814
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -17510.046   -17510.046   -17651.476   -17651.476    273.60531    273.60531     43582.98     43582.98    505.98869    505.98869 
   24000   -17517.168   -17517.168   -17655.723   -17655.723    268.04381    268.04381    43569.144    43569.144    872.98359    872.98359 
Loop time of 26.9333 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.208 ns/day, 7.481 hours/ns, 37.129 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    | 26.563     | 26.563     | 26.563     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.05972    | 0.05972    | 0.05972    |   0.0 |  0.22
Output  | 7.3789e-05 | 7.3789e-05 | 7.3789e-05 |   0.0 |  0.00
Modify  | 0.27273    | 0.27273    | 0.27273    |   0.0 |  1.01
Other   |            | 0.03798    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697172.0 ave      697172 max      697172 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697172
Ave neighs/atom = 174.29300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.400272960563, Press = -1.17029033555918
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -17517.168   -17517.168   -17655.723   -17655.723    268.04381    268.04381    43569.144    43569.144    872.98359    872.98359 
   25000   -17514.075   -17514.075   -17655.476   -17655.476    273.54982    273.54982    43553.575    43553.575    1599.4082    1599.4082 
Loop time of 26.9374 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.207 ns/day, 7.483 hours/ns, 37.123 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    | 26.568     | 26.568     | 26.568     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059565   | 0.059565   | 0.059565   |   0.0 |  0.22
Output  | 7.2544e-05 | 7.2544e-05 | 7.2544e-05 |   0.0 |  0.00
Modify  | 0.27235    | 0.27235    | 0.27235    |   0.0 |  1.01
Other   |            | 0.03779    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697418.0 ave      697418 max      697418 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697418
Ave neighs/atom = 174.35450
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.401609369756, Press = -0.904672195742331
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -17514.075   -17514.075   -17655.476   -17655.476    273.54982    273.54982    43553.575    43553.575    1599.4082    1599.4082 
   26000   -17511.961   -17511.961    -17651.03    -17651.03    269.03805    269.03805     43539.17     43539.17    2019.6582    2019.6582 
Loop time of 27.3695 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.157 ns/day, 7.603 hours/ns, 36.537 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.985     | 26.985     | 26.985     |   0.0 | 98.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.061183   | 0.061183   | 0.061183   |   0.0 |  0.22
Output  | 7.5474e-05 | 7.5474e-05 | 7.5474e-05 |   0.0 |  0.00
Modify  | 0.28295    | 0.28295    | 0.28295    |   0.0 |  1.03
Other   |            | 0.0398     |            |       |  0.15

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      698072.0 ave      698072 max      698072 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 698072
Ave neighs/atom = 174.51800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.434024300223, Press = -0.214671750744865
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -17511.961   -17511.961    -17651.03    -17651.03    269.03805    269.03805     43539.17     43539.17    2019.6582    2019.6582 
   27000   -17514.157   -17514.157   -17653.108   -17653.108    268.81039    268.81039     43544.29     43544.29     1866.794     1866.794 
Loop time of 26.9572 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.205 ns/day, 7.488 hours/ns, 37.096 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.59      | 26.59      | 26.59      |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059205   | 0.059205   | 0.059205   |   0.0 |  0.22
Output  | 9.82e-05   | 9.82e-05   | 9.82e-05   |   0.0 |  0.00
Modify  | 0.27039    | 0.27039    | 0.27039    |   0.0 |  1.00
Other   |            | 0.03773    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697564.0 ave      697564 max      697564 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697564
Ave neighs/atom = 174.39100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.471146371833, Press = 0.293125411897186
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -17514.157   -17514.157   -17653.108   -17653.108    268.81039    268.81039     43544.29     43544.29     1866.794     1866.794 
   28000   -17514.295   -17514.295   -17656.243   -17656.243      274.607      274.607    43574.883    43574.883    828.20014    828.20014 
Loop time of 26.9945 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.201 ns/day, 7.498 hours/ns, 37.045 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.628     | 26.628     | 26.628     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059362   | 0.059362   | 0.059362   |   0.0 |  0.22
Output  | 7.3212e-05 | 7.3212e-05 | 7.3212e-05 |   0.0 |  0.00
Modify  | 0.27063    | 0.27063    | 0.27063    |   0.0 |  1.00
Other   |            | 0.03681    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      698188.0 ave      698188 max      698188 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 698188
Ave neighs/atom = 174.54700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.398823251973, Press = -0.126178689574971
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -17514.295   -17514.295   -17656.243   -17656.243      274.607      274.607    43574.883    43574.883    828.20014    828.20014 
   29000   -17508.432   -17508.432   -17651.027   -17651.027     275.8609     275.8609    43583.566    43583.566    466.23099    466.23099 
Loop time of 27.0015 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.200 ns/day, 7.500 hours/ns, 37.035 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.631     | 26.631     | 26.631     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059713   | 0.059713   | 0.059713   |   0.0 |  0.22
Output  | 7.2409e-05 | 7.2409e-05 | 7.2409e-05 |   0.0 |  0.00
Modify  | 0.27305    | 0.27305    | 0.27305    |   0.0 |  1.01
Other   |            | 0.03717    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697728.0 ave      697728 max      697728 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697728
Ave neighs/atom = 174.43200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.45000974587, Press = -0.604733046871703
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -17508.432   -17508.432   -17651.027   -17651.027     275.8609     275.8609    43583.566    43583.566    466.23099    466.23099 
   30000   -17513.909   -17513.909   -17651.416   -17651.416    266.01679    266.01679     43577.44     43577.44    592.43649    592.43649 
Loop time of 26.9992 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.200 ns/day, 7.500 hours/ns, 37.038 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.631     | 26.631     | 26.631     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059614   | 0.059614   | 0.059614   |   0.0 |  0.22
Output  | 7.2209e-05 | 7.2209e-05 | 7.2209e-05 |   0.0 |  0.00
Modify  | 0.27161    | 0.27161    | 0.27161    |   0.0 |  1.01
Other   |            | 0.03683    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      696990.0 ave      696990 max      696990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 696990
Ave neighs/atom = 174.24750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.503403118812, Press = -0.255061228644774
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -17513.909   -17513.909   -17651.416   -17651.416    266.01679    266.01679     43577.44     43577.44    592.43649    592.43649 
   31000   -17509.233   -17509.233   -17651.567   -17651.567    275.35345    275.35345    43564.903    43564.903    1215.0772    1215.0772 
Loop time of 27.0309 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.196 ns/day, 7.509 hours/ns, 36.995 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.661     | 26.661     | 26.661     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059509   | 0.059509   | 0.059509   |   0.0 |  0.22
Output  | 7.2804e-05 | 7.2804e-05 | 7.2804e-05 |   0.0 |  0.00
Modify  | 0.27297    | 0.27297    | 0.27297    |   0.0 |  1.01
Other   |            | 0.03733    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697638.0 ave      697638 max      697638 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697638
Ave neighs/atom = 174.40950
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.588865651875, Press = 0.080464810196396
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -17509.233   -17509.233   -17651.567   -17651.567    275.35345    275.35345    43564.903    43564.903    1215.0772    1215.0772 
   32000   -17512.989   -17512.989   -17657.133   -17657.133    278.85457    278.85457    43540.992    43540.992    2210.9682    2210.9682 
Loop time of 27.0227 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.197 ns/day, 7.506 hours/ns, 37.006 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    | 26.653     | 26.653     | 26.653     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0598     | 0.0598     | 0.0598     |   0.0 |  0.22
Output  | 9.5914e-05 | 9.5914e-05 | 9.5914e-05 |   0.0 |  0.00
Modify  | 0.27264    | 0.27264    | 0.27264    |   0.0 |  1.01
Other   |            | 0.0372     |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697612.0 ave      697612 max      697612 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697612
Ave neighs/atom = 174.40300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.658998249618, Press = 1.05531136981369
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -17512.989   -17512.989   -17657.133   -17657.133    278.85457    278.85457    43540.992    43540.992    2210.9682    2210.9682 
   33000   -17509.961   -17509.961   -17650.327   -17650.327    271.54788    271.54788    43553.786    43553.786    1471.9508    1471.9508 
Loop time of 27.0064 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.199 ns/day, 7.502 hours/ns, 37.028 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.638     | 26.638     | 26.638     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059429   | 0.059429   | 0.059429   |   0.0 |  0.22
Output  | 7.2008e-05 | 7.2008e-05 | 7.2008e-05 |   0.0 |  0.00
Modify  | 0.27193    | 0.27193    | 0.27193    |   0.0 |  1.01
Other   |            | 0.03691    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      698332.0 ave      698332 max      698332 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 698332
Ave neighs/atom = 174.58300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.706754935892, Press = 0.808030775333387
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -17509.961   -17509.961   -17650.327   -17650.327    271.54788    271.54788    43553.786    43553.786    1471.9508    1471.9508 
   34000   -17511.126   -17511.126   -17652.091   -17652.091    272.70602    272.70602    43580.443    43580.443    550.42257    550.42257 
Loop time of 26.9979 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.200 ns/day, 7.499 hours/ns, 37.040 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.628     | 26.628     | 26.628     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059601   | 0.059601   | 0.059601   |   0.0 |  0.22
Output  | 7.3711e-05 | 7.3711e-05 | 7.3711e-05 |   0.0 |  0.00
Modify  | 0.27294    | 0.27294    | 0.27294    |   0.0 |  1.01
Other   |            | 0.03716    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697540.0 ave      697540 max      697540 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697540
Ave neighs/atom = 174.38500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.744699261032, Press = -0.322596177673788
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -17511.126   -17511.126   -17652.091   -17652.091    272.70602    272.70602    43580.443    43580.443    550.42257    550.42257 
   35000    -17508.71    -17508.71   -17652.282   -17652.282    277.75032    277.75032    43587.403    43587.403    337.11428    337.11428 
Loop time of 27.0312 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.196 ns/day, 7.509 hours/ns, 36.994 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.661     | 26.661     | 26.661     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059914   | 0.059914   | 0.059914   |   0.0 |  0.22
Output  | 7.2776e-05 | 7.2776e-05 | 7.2776e-05 |   0.0 |  0.00
Modify  | 0.27293    | 0.27293    | 0.27293    |   0.0 |  1.01
Other   |            | 0.03747    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697324.0 ave      697324 max      697324 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697324
Ave neighs/atom = 174.33100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.822755499516, Press = -0.312251783842911
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000    -17508.71    -17508.71   -17652.282   -17652.282    277.75032    277.75032    43587.403    43587.403    337.11428    337.11428 
   36000   -17511.915   -17511.915   -17655.055   -17655.055     276.9122     276.9122    43583.485    43583.485    513.94171    513.94171 
Loop time of 26.9764 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.203 ns/day, 7.493 hours/ns, 37.069 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.608     | 26.608     | 26.608     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059499   | 0.059499   | 0.059499   |   0.0 |  0.22
Output  | 9.7601e-05 | 9.7601e-05 | 9.7601e-05 |   0.0 |  0.00
Modify  | 0.2719     | 0.2719     | 0.2719     |   0.0 |  1.01
Other   |            | 0.03682    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697272.0 ave      697272 max      697272 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697272
Ave neighs/atom = 174.31800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.800689995766, Press = -0.081782882436843
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -17511.915   -17511.915   -17655.055   -17655.055     276.9122     276.9122    43583.485    43583.485    513.94171    513.94171 
   37000   -17510.721   -17510.721   -17653.031   -17653.031    275.30688    275.30688    43581.902    43581.902    499.08561    499.08561 
Loop time of 27.0065 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.199 ns/day, 7.502 hours/ns, 37.028 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.637     | 26.637     | 26.637     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059872   | 0.059872   | 0.059872   |   0.0 |  0.22
Output  | 7.412e-05  | 7.412e-05  | 7.412e-05  |   0.0 |  0.00
Modify  | 0.27256    | 0.27256    | 0.27256    |   0.0 |  1.01
Other   |            | 0.03707    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697626.0 ave      697626 max      697626 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697626
Ave neighs/atom = 174.40650
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.792572077373, Press = 0.829527549933258
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -17510.721   -17510.721   -17653.031   -17653.031    275.30688    275.30688    43581.902    43581.902    499.08561    499.08561 
   38000   -17508.043   -17508.043    -17653.21    -17653.21    280.83572    280.83572    43597.866    43597.866   -96.297868   -96.297868 
Loop time of 27.019 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.198 ns/day, 7.505 hours/ns, 37.011 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.65      | 26.65      | 26.65      |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059627   | 0.059627   | 0.059627   |   0.0 |  0.22
Output  | 7.4734e-05 | 7.4734e-05 | 7.4734e-05 |   0.0 |  0.00
Modify  | 0.27241    | 0.27241    | 0.27241    |   0.0 |  1.01
Other   |            | 0.03718    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697392.0 ave      697392 max      697392 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697392
Ave neighs/atom = 174.34800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.791323595054, Press = 1.26564486677653
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -17508.043   -17508.043    -17653.21    -17653.21    280.83572    280.83572    43597.866    43597.866   -96.297868   -96.297868 
   39000   -17511.936   -17511.936   -17653.374   -17653.374    273.62146    273.62146    43609.241    43609.241   -662.36481   -662.36481 
Loop time of 26.9972 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.200 ns/day, 7.499 hours/ns, 37.041 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.629     | 26.629     | 26.629     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059553   | 0.059553   | 0.059553   |   0.0 |  0.22
Output  | 7.4009e-05 | 7.4009e-05 | 7.4009e-05 |   0.0 |  0.00
Modify  | 0.27167    | 0.27167    | 0.27167    |   0.0 |  1.01
Other   |            | 0.03654    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697126.0 ave      697126 max      697126 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697126
Ave neighs/atom = 174.28150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.821893699202, Press = 0.62974121093353
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -17511.936   -17511.936   -17653.374   -17653.374    273.62146    273.62146    43609.241    43609.241   -662.36481   -662.36481 
   40000   -17513.539   -17513.539    -17653.21    -17653.21    270.20245    270.20245    43607.824    43607.824   -540.58368   -540.58368 
Loop time of 26.9932 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.201 ns/day, 7.498 hours/ns, 37.046 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.625     | 26.625     | 26.625     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.05989    | 0.05989    | 0.05989    |   0.0 |  0.22
Output  | 9.1693e-05 | 9.1693e-05 | 9.1693e-05 |   0.0 |  0.00
Modify  | 0.27178    | 0.27178    | 0.27178    |   0.0 |  1.01
Other   |            | 0.03681    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697296.0 ave      697296 max      697296 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697296
Ave neighs/atom = 174.32400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.841692338132, Press = -0.0546986826924885
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -17513.539   -17513.539    -17653.21    -17653.21    270.20245    270.20245    43607.824    43607.824   -540.58368   -540.58368 
   41000   -17510.481   -17510.481   -17653.224   -17653.224    276.14576    276.14576    43610.352    43610.352   -541.97708   -541.97708 
Loop time of 27.0167 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.198 ns/day, 7.505 hours/ns, 37.014 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.648     | 26.648     | 26.648     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059773   | 0.059773   | 0.059773   |   0.0 |  0.22
Output  | 8.9452e-05 | 8.9452e-05 | 8.9452e-05 |   0.0 |  0.00
Modify  | 0.27237    | 0.27237    | 0.27237    |   0.0 |  1.01
Other   |            | 0.03694    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697088.0 ave      697088 max      697088 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697088
Ave neighs/atom = 174.27200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.837597503537, Press = 0.0421133169734147
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -17510.481   -17510.481   -17653.224   -17653.224    276.14576    276.14576    43610.352    43610.352   -541.97708   -541.97708 
   42000   -17510.965   -17510.965   -17650.987   -17650.987    270.88064    270.88064    43622.994    43622.994   -1015.1975   -1015.1975 
Loop time of 26.9977 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.200 ns/day, 7.499 hours/ns, 37.040 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.629     | 26.629     | 26.629     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.05965    | 0.05965    | 0.05965    |   0.0 |  0.22
Output  | 8.0362e-05 | 8.0362e-05 | 8.0362e-05 |   0.0 |  0.00
Modify  | 0.27208    | 0.27208    | 0.27208    |   0.0 |  1.01
Other   |            | 0.03684    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      696848.0 ave      696848 max      696848 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 696848
Ave neighs/atom = 174.21200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.854634568751, Press = 0.39887669802758
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -17510.965   -17510.965   -17650.987   -17650.987    270.88064    270.88064    43622.994    43622.994   -1015.1975   -1015.1975 
   43000    -17511.39    -17511.39   -17655.213   -17655.213    278.23454    278.23454    43682.235    43682.235    -3252.953    -3252.953 
Loop time of 26.9689 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.204 ns/day, 7.491 hours/ns, 37.080 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.601     | 26.601     | 26.601     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059534   | 0.059534   | 0.059534   |   0.0 |  0.22
Output  | 7.1341e-05 | 7.1341e-05 | 7.1341e-05 |   0.0 |  0.00
Modify  | 0.27161    | 0.27161    | 0.27161    |   0.0 |  1.01
Other   |            | 0.03629    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      696756.0 ave      696756 max      696756 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 696756
Ave neighs/atom = 174.18900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.839902994717, Press = 1.76972299856785
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000    -17511.39    -17511.39   -17655.213   -17655.213    278.23454    278.23454    43682.235    43682.235    -3252.953    -3252.953 
   44000    -17517.82    -17517.82   -17656.788   -17656.788    268.84233    268.84233    43638.761    43638.761   -1697.7059   -1697.7059 
Loop time of 27.0007 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.200 ns/day, 7.500 hours/ns, 37.036 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.633     | 26.633     | 26.633     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059576   | 0.059576   | 0.059576   |   0.0 |  0.22
Output  | 7.208e-05  | 7.208e-05  | 7.208e-05  |   0.0 |  0.00
Modify  | 0.27109    | 0.27109    | 0.27109    |   0.0 |  1.00
Other   |            | 0.03667    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      696766.0 ave      696766 max      696766 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 696766
Ave neighs/atom = 174.19150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.826212159216, Press = 0.238629841818695
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000    -17517.82    -17517.82   -17656.788   -17656.788    268.84233    268.84233    43638.761    43638.761   -1697.7059   -1697.7059 
   45000   -17511.274   -17511.274   -17651.676   -17651.676    271.61784    271.61784    43628.311    43628.311   -1286.4437   -1286.4437 
Loop time of 26.9958 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.201 ns/day, 7.499 hours/ns, 37.043 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.628     | 26.628     | 26.628     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059437   | 0.059437   | 0.059437   |   0.0 |  0.22
Output  | 9.5541e-05 | 9.5541e-05 | 9.5541e-05 |   0.0 |  0.00
Modify  | 0.27135    | 0.27135    | 0.27135    |   0.0 |  1.01
Other   |            | 0.03644    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697200.0 ave      697200 max      697200 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697200
Ave neighs/atom = 174.30000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.792503615128, Press = -0.290069567523764
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -17511.274   -17511.274   -17651.676   -17651.676    271.61784    271.61784    43628.311    43628.311   -1286.4437   -1286.4437 
   46000   -17518.361   -17518.361   -17655.674   -17655.674    265.64147    265.64147     43638.75     43638.75   -1647.7351   -1647.7351 
Loop time of 27.0015 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.200 ns/day, 7.500 hours/ns, 37.035 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.633     | 26.633     | 26.633     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059605   | 0.059605   | 0.059605   |   0.0 |  0.22
Output  | 7.338e-05  | 7.338e-05  | 7.338e-05  |   0.0 |  0.00
Modify  | 0.27234    | 0.27234    | 0.27234    |   0.0 |  1.01
Other   |            | 0.03685    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      696702.0 ave      696702 max      696702 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 696702
Ave neighs/atom = 174.17550
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.770097955498, Press = -0.334644529898349
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -17518.361   -17518.361   -17655.674   -17655.674    265.64147    265.64147     43638.75     43638.75   -1647.7351   -1647.7351 
   47000   -17511.892   -17511.892   -17653.196   -17653.196    273.36222    273.36222    43627.402    43627.402   -1142.4193   -1142.4193 
Loop time of 26.9754 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.203 ns/day, 7.493 hours/ns, 37.071 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.607     | 26.607     | 26.607     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059572   | 0.059572   | 0.059572   |   0.0 |  0.22
Output  | 7.1287e-05 | 7.1287e-05 | 7.1287e-05 |   0.0 |  0.00
Modify  | 0.27167    | 0.27167    | 0.27167    |   0.0 |  1.01
Other   |            | 0.03656    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      696972.0 ave      696972 max      696972 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 696972
Ave neighs/atom = 174.24300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.765441982045, Press = -0.646408641937538
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -17511.892   -17511.892   -17653.196   -17653.196    273.36222    273.36222    43627.402    43627.402   -1142.4193   -1142.4193 
   48000   -17506.386   -17506.386   -17650.822   -17650.822    279.42117    279.42117    43626.659    43626.659   -1089.9958   -1089.9958 
Loop time of 26.9978 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.200 ns/day, 7.499 hours/ns, 37.040 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.63      | 26.63      | 26.63      |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059229   | 0.059229   | 0.059229   |   0.0 |  0.22
Output  | 7.097e-05  | 7.097e-05  | 7.097e-05  |   0.0 |  0.00
Modify  | 0.27177    | 0.27177    | 0.27177    |   0.0 |  1.01
Other   |            | 0.03672    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      696708.0 ave      696708 max      696708 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 696708
Ave neighs/atom = 174.17700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.793276196897, Press = -0.612675175508767
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -17506.386   -17506.386   -17650.822   -17650.822    279.42117    279.42117    43626.659    43626.659   -1089.9958   -1089.9958 
   49000   -17513.232   -17513.232   -17653.766   -17653.766    271.87166    271.87166    43625.913    43625.913   -1140.5546   -1140.5546 
Loop time of 26.9785 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.203 ns/day, 7.494 hours/ns, 37.067 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    | 26.612     | 26.612     | 26.612     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059489   | 0.059489   | 0.059489   |   0.0 |  0.22
Output  | 9.4419e-05 | 9.4419e-05 | 9.4419e-05 |   0.0 |  0.00
Modify  | 0.27065    | 0.27065    | 0.27065    |   0.0 |  1.00
Other   |            | 0.03623    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      696636.0 ave      696636 max      696636 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 696636
Ave neighs/atom = 174.15900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.809981300899, Press = -0.844947609554922
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -17513.232   -17513.232   -17653.766   -17653.766    271.87166    271.87166    43625.913    43625.913   -1140.5546   -1140.5546 
   50000   -17512.693   -17512.693   -17653.718   -17653.718    272.82161    272.82161    43628.433    43628.433   -1231.7042   -1231.7042 
Loop time of 26.9615 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.205 ns/day, 7.489 hours/ns, 37.090 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.595     | 26.595     | 26.595     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059243   | 0.059243   | 0.059243   |   0.0 |  0.22
Output  | 7.3292e-05 | 7.3292e-05 | 7.3292e-05 |   0.0 |  0.00
Modify  | 0.27044    | 0.27044    | 0.27044    |   0.0 |  1.00
Other   |            | 0.03639    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697028.0 ave      697028 max      697028 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697028
Ave neighs/atom = 174.25700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.788434887128, Press = -1.28676419157145
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -17512.693   -17512.693   -17653.718   -17653.718    272.82161    272.82161    43628.433    43628.433   -1231.7042   -1231.7042 
   51000   -17511.742   -17511.742   -17656.332   -17656.332    279.71914    279.71914    43638.631    43638.631   -1560.1481   -1560.1481 
Loop time of 26.9535 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.206 ns/day, 7.487 hours/ns, 37.101 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.587     | 26.587     | 26.587     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059839   | 0.059839   | 0.059839   |   0.0 |  0.22
Output  | 7.1865e-05 | 7.1865e-05 | 7.1865e-05 |   0.0 |  0.00
Modify  | 0.2708     | 0.2708     | 0.2708     |   0.0 |  1.00
Other   |            | 0.03622    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      696650.0 ave      696650 max      696650 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 696650
Ave neighs/atom = 174.16250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.807166079419, Press = -1.7630360974847
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -17511.742   -17511.742   -17656.332   -17656.332    279.71914    279.71914    43638.631    43638.631   -1560.1481   -1560.1481 
   52000   -17512.822   -17512.822   -17652.575   -17652.575     270.3602     270.3602    43614.748    43614.748   -782.69149   -782.69149 
Loop time of 26.962 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.205 ns/day, 7.489 hours/ns, 37.089 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.594     | 26.594     | 26.594     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059654   | 0.059654   | 0.059654   |   0.0 |  0.22
Output  | 7.1952e-05 | 7.1952e-05 | 7.1952e-05 |   0.0 |  0.00
Modify  | 0.27149    | 0.27149    | 0.27149    |   0.0 |  1.01
Other   |            | 0.03642    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      696806.0 ave      696806 max      696806 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 696806
Ave neighs/atom = 174.20150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.83442521816, Press = -1.40657265694766
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -17512.822   -17512.822   -17652.575   -17652.575     270.3602     270.3602    43614.748    43614.748   -782.69149   -782.69149 
   53000   -17512.388   -17512.388   -17654.558   -17654.558    275.03867    275.03867    43607.861    43607.861   -430.70642   -430.70642 
Loop time of 26.956 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.205 ns/day, 7.488 hours/ns, 37.097 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.589     | 26.589     | 26.589     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059469   | 0.059469   | 0.059469   |   0.0 |  0.22
Output  | 7.4541e-05 | 7.4541e-05 | 7.4541e-05 |   0.0 |  0.00
Modify  | 0.27107    | 0.27107    | 0.27107    |   0.0 |  1.01
Other   |            | 0.03659    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      696892.0 ave      696892 max      696892 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 696892
Ave neighs/atom = 174.22300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.86863838482, Press = -0.990548146381379
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -17512.388   -17512.388   -17654.558   -17654.558    275.03867    275.03867    43607.861    43607.861   -430.70642   -430.70642 
   54000    -17510.53    -17510.53   -17652.448   -17652.448    274.54917    274.54917    43601.638    43601.638   -137.80186   -137.80186 
Loop time of 26.942 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.207 ns/day, 7.484 hours/ns, 37.117 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.575     | 26.575     | 26.575     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059618   | 0.059618   | 0.059618   |   0.0 |  0.22
Output  | 9.1397e-05 | 9.1397e-05 | 9.1397e-05 |   0.0 |  0.00
Modify  | 0.27072    | 0.27072    | 0.27072    |   0.0 |  1.00
Other   |            | 0.03626    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697402.0 ave      697402 max      697402 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697402
Ave neighs/atom = 174.35050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.863522077262, Press = -0.889358582099565
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000    -17510.53    -17510.53   -17652.448   -17652.448    274.54917    274.54917    43601.638    43601.638   -137.80186   -137.80186 
   55000   -17515.452   -17515.452   -17655.509   -17655.509    270.94971    270.94971    43614.096    43614.096   -674.73433   -674.73433 
Loop time of 26.969 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.204 ns/day, 7.491 hours/ns, 37.080 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.602     | 26.602     | 26.602     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059486   | 0.059486   | 0.059486   |   0.0 |  0.22
Output  | 7.4006e-05 | 7.4006e-05 | 7.4006e-05 |   0.0 |  0.00
Modify  | 0.27093    | 0.27093    | 0.27093    |   0.0 |  1.00
Other   |            | 0.0364     |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697172.0 ave      697172 max      697172 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697172
Ave neighs/atom = 174.29300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.875809933191, Press = -0.896260581583578
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -17515.452   -17515.452   -17655.509   -17655.509    270.94971    270.94971    43614.096    43614.096   -674.73433   -674.73433 
   56000   -17510.524   -17510.524   -17651.696   -17651.696    273.10732    273.10732    43608.447    43608.447   -389.14862   -389.14862 
Loop time of 26.97 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.204 ns/day, 7.492 hours/ns, 37.078 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.603     | 26.603     | 26.603     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059543   | 0.059543   | 0.059543   |   0.0 |  0.22
Output  | 8.4489e-05 | 8.4489e-05 | 8.4489e-05 |   0.0 |  0.00
Modify  | 0.27086    | 0.27086    | 0.27086    |   0.0 |  1.00
Other   |            | 0.03643    |            |       |  0.14

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697272.0 ave      697272 max      697272 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697272
Ave neighs/atom = 174.31800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.895583058318, Press = -1.16942526934246
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -17510.524   -17510.524   -17651.696   -17651.696    273.10732    273.10732    43608.447    43608.447   -389.14862   -389.14862 
   57000   -17511.749   -17511.749   -17654.538   -17654.538    276.23572    276.23572      43605.3      43605.3   -335.97336   -335.97336 
Loop time of 26.9516 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.206 ns/day, 7.487 hours/ns, 37.104 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.586     | 26.586     | 26.586     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059454   | 0.059454   | 0.059454   |   0.0 |  0.22
Output  | 7.1809e-05 | 7.1809e-05 | 7.1809e-05 |   0.0 |  0.00
Modify  | 0.27027    | 0.27027    | 0.27027    |   0.0 |  1.00
Other   |            | 0.03624    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      696918.0 ave      696918 max      696918 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 696918
Ave neighs/atom = 174.22950
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.919897446042, Press = -1.3593034800216
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -17511.749   -17511.749   -17654.538   -17654.538    276.23572    276.23572      43605.3      43605.3   -335.97336   -335.97336 
   58000   -17511.653   -17511.653   -17652.727   -17652.727    272.91711    272.91711     43604.07     43604.07   -255.09926   -255.09926 
Loop time of 26.9675 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.204 ns/day, 7.491 hours/ns, 37.082 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.602     | 26.602     | 26.602     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059617   | 0.059617   | 0.059617   |   0.0 |  0.22
Output  | 9.2411e-05 | 9.2411e-05 | 9.2411e-05 |   0.0 |  0.00
Modify  | 0.27017    | 0.27017    | 0.27017    |   0.0 |  1.00
Other   |            | 0.03595    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697288.0 ave      697288 max      697288 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697288
Ave neighs/atom = 174.32200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.955591819553, Press = -1.64640961977534
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -17511.653   -17511.653   -17652.727   -17652.727    272.91711    272.91711     43604.07     43604.07   -255.09926   -255.09926 
   59000   -17510.285   -17510.285   -17652.804   -17652.804    275.71099    275.71099    43586.933    43586.933    510.69908    510.69908 
Loop time of 26.943 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.207 ns/day, 7.484 hours/ns, 37.115 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.578     | 26.578     | 26.578     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.05943    | 0.05943    | 0.05943    |   0.0 |  0.22
Output  | 7.1143e-05 | 7.1143e-05 | 7.1143e-05 |   0.0 |  0.00
Modify  | 0.27004    | 0.27004    | 0.27004    |   0.0 |  1.00
Other   |            | 0.03594    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697054.0 ave      697054 max      697054 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697054
Ave neighs/atom = 174.26350
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.952108651082, Press = -1.08711222841644
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -17510.285   -17510.285   -17652.804   -17652.804    275.71099    275.71099    43586.933    43586.933    510.69908    510.69908 
   60000   -17512.963   -17512.963   -17651.703   -17651.703    268.40174    268.40174    43585.307    43585.307    406.78829    406.78829 
Loop time of 26.9556 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.205 ns/day, 7.488 hours/ns, 37.098 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.59      | 26.59      | 26.59      |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059259   | 0.059259   | 0.059259   |   0.0 |  0.22
Output  | 7.2716e-05 | 7.2716e-05 | 7.2716e-05 |   0.0 |  0.00
Modify  | 0.26989    | 0.26989    | 0.26989    |   0.0 |  1.00
Other   |            | 0.03603    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697190.0 ave      697190 max      697190 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697190
Ave neighs/atom = 174.29750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.984700955987, Press = -0.602614920991323
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000   -17512.963   -17512.963   -17651.703   -17651.703    268.40174    268.40174    43585.307    43585.307    406.78829    406.78829 
   61000   -17512.317   -17512.317   -17655.492   -17655.492    276.98219    276.98219    43574.011    43574.011    910.09209    910.09209 
Loop time of 26.9693 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.204 ns/day, 7.491 hours/ns, 37.079 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.603     | 26.603     | 26.603     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059487   | 0.059487   | 0.059487   |   0.0 |  0.22
Output  | 7.2174e-05 | 7.2174e-05 | 7.2174e-05 |   0.0 |  0.00
Modify  | 0.27052    | 0.27052    | 0.27052    |   0.0 |  1.00
Other   |            | 0.03618    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697370.0 ave      697370 max      697370 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697370
Ave neighs/atom = 174.34250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.008930616551, Press = -0.575673008967712
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -17512.317   -17512.317   -17655.492   -17655.492    276.98219    276.98219    43574.011    43574.011    910.09209    910.09209 
   62000   -17513.513   -17513.513    -17652.94    -17652.94     269.7305     269.7305    43575.957    43575.957     813.2675     813.2675 
Loop time of 26.9854 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.202 ns/day, 7.496 hours/ns, 37.057 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.621     | 26.621     | 26.621     |   0.0 | 98.65
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059236   | 0.059236   | 0.059236   |   0.0 |  0.22
Output  | 7.1466e-05 | 7.1466e-05 | 7.1466e-05 |   0.0 |  0.00
Modify  | 0.26968    | 0.26968    | 0.26968    |   0.0 |  1.00
Other   |            | 0.03585    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697670.0 ave      697670 max      697670 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697670
Ave neighs/atom = 174.41750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.037774084101, Press = -0.594265280231438
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -17513.513   -17513.513    -17652.94    -17652.94     269.7305     269.7305    43575.957    43575.957     813.2675     813.2675 
   63000   -17515.071   -17515.071   -17653.549   -17653.549    267.89534    267.89534    43523.083    43523.083    2616.1249    2616.1249 
Loop time of 26.9731 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.203 ns/day, 7.493 hours/ns, 37.074 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.607     | 26.607     | 26.607     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059704   | 0.059704   | 0.059704   |   0.0 |  0.22
Output  | 9.3268e-05 | 9.3268e-05 | 9.3268e-05 |   0.0 |  0.00
Modify  | 0.27038    | 0.27038    | 0.27038    |   0.0 |  1.00
Other   |            | 0.03594    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697140.0 ave      697140 max      697140 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697140
Ave neighs/atom = 174.28500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.059368076409, Press = -0.675636257655274
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -17515.071   -17515.071   -17653.549   -17653.549    267.89534    267.89534    43523.083    43523.083    2616.1249    2616.1249 
   64000   -17509.029   -17509.029   -17653.238   -17653.238    278.98201    278.98201    43533.241    43533.241    2561.8791    2561.8791 
Loop time of 26.9681 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.204 ns/day, 7.491 hours/ns, 37.081 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.603     | 26.603     | 26.603     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059553   | 0.059553   | 0.059553   |   0.0 |  0.22
Output  | 7.864e-05  | 7.864e-05  | 7.864e-05  |   0.0 |  0.00
Modify  | 0.26997    | 0.26997    | 0.26997    |   0.0 |  1.00
Other   |            | 0.036      |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697878.0 ave      697878 max      697878 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697878
Ave neighs/atom = 174.46950
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.09025717707, Press = -0.628623233899704
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -17509.029   -17509.029   -17653.238   -17653.238    278.98201    278.98201    43533.241    43533.241    2561.8791    2561.8791 
   65000   -17512.358   -17512.358   -17653.071   -17653.071    272.21952    272.21952    43565.248    43565.248      1217.18      1217.18 
Loop time of 26.9725 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.203 ns/day, 7.492 hours/ns, 37.075 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.607     | 26.607     | 26.607     |   0.0 | 98.65
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059359   | 0.059359   | 0.059359   |   0.0 |  0.22
Output  | 7.1695e-05 | 7.1695e-05 | 7.1695e-05 |   0.0 |  0.00
Modify  | 0.27004    | 0.27004    | 0.27004    |   0.0 |  1.00
Other   |            | 0.03595    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697854.0 ave      697854 max      697854 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697854
Ave neighs/atom = 174.46350
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.094096649591, Press = -0.355263606399428
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -17512.358   -17512.358   -17653.071   -17653.071    272.21952    272.21952    43565.248    43565.248      1217.18      1217.18 
   66000   -17519.566   -17519.566   -17656.337   -17656.337    264.59243    264.59243    43574.548    43574.548    759.78364    759.78364 
Loop time of 26.9403 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.207 ns/day, 7.483 hours/ns, 37.119 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    | 26.575     | 26.575     | 26.575     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.05931    | 0.05931    | 0.05931    |   0.0 |  0.22
Output  | 7.2145e-05 | 7.2145e-05 | 7.2145e-05 |   0.0 |  0.00
Modify  | 0.26977    | 0.26977    | 0.26977    |   0.0 |  1.00
Other   |            | 0.03595    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697486.0 ave      697486 max      697486 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697486
Ave neighs/atom = 174.37150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.091316803671, Press = -0.429011840422359
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000   -17519.566   -17519.566   -17656.337   -17656.337    264.59243    264.59243    43574.548    43574.548    759.78364    759.78364 
   67000    -17510.32    -17510.32   -17654.827   -17654.827     279.5591     279.5591    43579.184    43579.184     730.8717     730.8717 
Loop time of 26.9899 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.201 ns/day, 7.497 hours/ns, 37.051 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.624     | 26.624     | 26.624     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059536   | 0.059536   | 0.059536   |   0.0 |  0.22
Output  | 0.00010795 | 0.00010795 | 0.00010795 |   0.0 |  0.00
Modify  | 0.27032    | 0.27032    | 0.27032    |   0.0 |  1.00
Other   |            | 0.03598    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697658.0 ave      697658 max      697658 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697658
Ave neighs/atom = 174.41450
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.063123681083, Press = -0.207878819956164
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.244 | 6.244 | 6.244 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000    -17510.32    -17510.32   -17654.827   -17654.827     279.5591     279.5591    43579.184    43579.184     730.8717     730.8717 
   68000   -17515.366   -17515.366   -17653.172   -17653.172    266.59488    266.59488     43564.95     43564.95    1107.4602    1107.4602 
Loop time of 26.9207 on 1 procs for 1000 steps with 4000 atoms

Performance: 3.209 ns/day, 7.478 hours/ns, 37.146 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.554     | 26.554     | 26.554     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.059365   | 0.059365   | 0.059365   |   0.0 |  0.22
Output  | 7.1515e-05 | 7.1515e-05 | 7.1515e-05 |   0.0 |  0.00
Modify  | 0.27048    | 0.27048    | 0.27048    |   0.0 |  1.00
Other   |            | 0.03631    |            |       |  0.13

Nlocal:        4000.00 ave        4000 max        4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8195.00 ave        8195 max        8195 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      697204.0 ave      697204 max      697204 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 697204
Ave neighs/atom = 174.30100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T273.15.out"  else  "print 'not_converged'  file output/vol_T273.15.out"
print '${V}'  file output/vol_T273.15.out
43595.5505545143

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0