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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 2.794781357049942*${_u_distance}
variable latticeconst_converted equal 2.794781357049942*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.79478135704994
Lattice spacing in x,y,z = 2.7947814 2.7947814 2.7947814
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (27.947814 27.947814 27.947814)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 2000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (27.947814 27.947814 27.947814)
  create_atoms CPU = 0.001 seconds

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

kim_interactions Cr

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

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


mass          1 ${mass_converted}
mass          1 51.9961

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

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

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

variable temp_converted equal 293.15*${_u_temperature}
variable temp_converted equal 293.15*1
variable Tdamp_converted equal 0.1*${_u_time}
variable Tdamp_converted equal 0.1*1
variable press_converted equal 0.0*${_u_pressure}
variable press_converted equal 0.0*1
variable Pdamp_converted equal 1*${_u_time}
variable Pdamp_converted equal 1*1

# create initial velocities consistent with the chosen temperature
velocity      all create ${temp_converted} 17 mom yes rot yes
velocity      all create 293.15 17 mom yes rot yes

# set NPT ensemble for all atoms
fix           ensemble all npt temp ${temp_converted} ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso 0 0 1

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

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

# set error bounds for temperature and pressure in original metal units (K and bar)
variable      T_low equal  "293.15 - 0.2"
variable      T_up  equal  "293.15 + 0.2"
variable      P_low equal  "0.0 - 0.2"
variable      P_up  equal  "0.0 + 0.2"

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

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

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

Your simulation uses code contributions which should be cited:

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

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

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

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.577 | 4.577 | 4.577 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -8213.2365   -8213.2365   -8288.9838   -8288.9838       293.15       293.15    21829.486    21829.486    3706.3424    3706.3424 
    1000   -8173.5735   -8173.5735   -8248.7849   -8248.7849    291.07589    291.07589    22357.692    22357.692    122.89527    122.89527 
Loop time of 14.0547 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.147 ns/day, 3.904 hours/ns, 71.150 timesteps/s
97.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.777     | 13.777     | 13.777     |   0.0 | 98.02
Neigh   | 0.041593   | 0.041593   | 0.041593   |   0.0 |  0.30
Comm    | 0.047858   | 0.047858   | 0.047858   |   0.0 |  0.34
Output  | 0.00021933 | 0.00021933 | 0.00021933 |   0.0 |  0.00
Modify  | 0.1588     | 0.1588     | 0.1588     |   0.0 |  1.13
Other   |            | 0.02927    |            |       |  0.21

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5484.00 ave        5484 max        5484 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      342008.0 ave      342008 max      342008 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 342008
Ave neighs/atom = 171.00400
Neighbor list builds = 2
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -8173.5735   -8173.5735   -8248.7849   -8248.7849    291.07589    291.07589    22357.692    22357.692    122.89527    122.89527 
    2000   -8186.1751   -8186.1751   -8264.9351   -8264.9351    304.80936    304.80936    22282.773    22282.773    375.89535    375.89535 
Loop time of 13.6328 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.338 ns/day, 3.787 hours/ns, 73.353 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.409     | 13.409     | 13.409     |   0.0 | 98.36
Neigh   | 0.020686   | 0.020686   | 0.020686   |   0.0 |  0.15
Comm    | 0.042259   | 0.042259   | 0.042259   |   0.0 |  0.31
Output  | 9.4678e-05 | 9.4678e-05 | 9.4678e-05 |   0.0 |  0.00
Modify  | 0.13845    | 0.13845    | 0.13845    |   0.0 |  1.02
Other   |            | 0.02187    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5473.00 ave        5473 max        5473 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      345926.0 ave      345926 max      345926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 345926
Ave neighs/atom = 172.96300
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -8186.1751   -8186.1751   -8264.9351   -8264.9351    304.80936    304.80936    22282.773    22282.773    375.89535    375.89535 
    3000   -8193.6713   -8193.6713   -8268.2739   -8268.2739    288.71963    288.71963    22261.034    22261.034    647.87114    647.87114 
Loop time of 13.556 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.374 ns/day, 3.766 hours/ns, 73.768 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.334     | 13.334     | 13.334     |   0.0 | 98.36
Neigh   | 0.020451   | 0.020451   | 0.020451   |   0.0 |  0.15
Comm    | 0.041812   | 0.041812   | 0.041812   |   0.0 |  0.31
Output  | 8.3056e-05 | 8.3056e-05 | 8.3056e-05 |   0.0 |  0.00
Modify  | 0.13817    | 0.13817    | 0.13817    |   0.0 |  1.02
Other   |            | 0.0217     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5501.00 ave        5501 max        5501 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      348842.0 ave      348842 max      348842 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348842
Ave neighs/atom = 174.42100
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -8193.6713   -8193.6713   -8268.2739   -8268.2739    288.71963    288.71963    22261.034    22261.034    647.87114    647.87114 
    4000   -8193.3751   -8193.3751   -8269.3743   -8269.3743    294.12504    294.12504    22291.866    22291.866   -2084.6501   -2084.6501 
Loop time of 13.7155 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.299 ns/day, 3.810 hours/ns, 72.910 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.492     | 13.492     | 13.492     |   0.0 | 98.37
Neigh   | 0.02048    | 0.02048    | 0.02048    |   0.0 |  0.15
Comm    | 0.042301   | 0.042301   | 0.042301   |   0.0 |  0.31
Output  | 5.7923e-05 | 5.7923e-05 | 5.7923e-05 |   0.0 |  0.00
Modify  | 0.13862    | 0.13862    | 0.13862    |   0.0 |  1.01
Other   |            | 0.02161    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5508.00 ave        5508 max        5508 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349544.0 ave      349544 max      349544 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349544
Ave neighs/atom = 174.77200
Neighbor list builds = 1
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -8193.3751   -8193.3751   -8269.3743   -8269.3743    294.12504    294.12504    22291.866    22291.866   -2084.6501   -2084.6501 
    5000   -8191.9476   -8191.9476   -8269.2129   -8269.2129     299.0248     299.0248    22280.915    22280.915   -1431.6589   -1431.6589 
Loop time of 13.5522 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.375 ns/day, 3.764 hours/ns, 73.789 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.349     | 13.349     | 13.349     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041754   | 0.041754   | 0.041754   |   0.0 |  0.31
Output  | 6.9233e-05 | 6.9233e-05 | 6.9233e-05 |   0.0 |  0.00
Modify  | 0.13913    | 0.13913    | 0.13913    |   0.0 |  1.03
Other   |            | 0.02182    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5493.00 ave        5493 max        5493 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      348950.0 ave      348950 max      348950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348950
Ave neighs/atom = 174.47500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 295.088940225901, Press = -911.030942284414
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -8191.9476   -8191.9476   -8269.2129   -8269.2129     299.0248     299.0248    22280.915    22280.915   -1431.6589   -1431.6589 
    6000   -8197.0678   -8197.0678   -8270.9147   -8270.9147    285.79507    285.79507    22226.918    22226.918    2049.9999    2049.9999 
Loop time of 13.5467 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.378 ns/day, 3.763 hours/ns, 73.819 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.34      | 13.34      | 13.34      |   0.0 | 98.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041863   | 0.041863   | 0.041863   |   0.0 |  0.31
Output  | 4.6927e-05 | 4.6927e-05 | 4.6927e-05 |   0.0 |  0.00
Modify  | 0.14291    | 0.14291    | 0.14291    |   0.0 |  1.05
Other   |            | 0.02184    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5496.00 ave        5496 max        5496 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349320.0 ave      349320 max      349320 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349320
Ave neighs/atom = 174.66000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.225779663301, Press = -73.7733577660964
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -8197.0678   -8197.0678   -8270.9147   -8270.9147    285.79507    285.79507    22226.918    22226.918    2049.9999    2049.9999 
    7000   -8191.9576   -8191.9576   -8268.7387   -8268.7387    297.15081    297.15081    22215.998    22215.998    4132.1556    4132.1556 
Loop time of 13.5455 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.378 ns/day, 3.763 hours/ns, 73.825 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.339     | 13.339     | 13.339     |   0.0 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041759   | 0.041759   | 0.041759   |   0.0 |  0.31
Output  | 7.2351e-05 | 7.2351e-05 | 7.2351e-05 |   0.0 |  0.00
Modify  | 0.14285    | 0.14285    | 0.14285    |   0.0 |  1.05
Other   |            | 0.02183    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5509.00 ave        5509 max        5509 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350288.0 ave      350288 max      350288 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350288
Ave neighs/atom = 175.14400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.068057933237, Press = -29.897244468175
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -8191.9576   -8191.9576   -8268.7387   -8268.7387    297.15081    297.15081    22215.998    22215.998    4132.1556    4132.1556 
    8000   -8190.9593   -8190.9593   -8270.0817   -8270.0817    306.21186    306.21186    22254.878    22254.878    849.36456    849.36456 
Loop time of 13.564 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.370 ns/day, 3.768 hours/ns, 73.724 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.357     | 13.357     | 13.357     |   0.0 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0418     | 0.0418     | 0.0418     |   0.0 |  0.31
Output  | 4.7369e-05 | 4.7369e-05 | 4.7369e-05 |   0.0 |  0.00
Modify  | 0.14289    | 0.14289    | 0.14289    |   0.0 |  1.05
Other   |            | 0.0219     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5522.00 ave        5522 max        5522 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350056.0 ave      350056 max      350056 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350056
Ave neighs/atom = 175.02800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.335330872866, Press = 6.88918704428608
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -8190.9593   -8190.9593   -8270.0817   -8270.0817    306.21186    306.21186    22254.878    22254.878    849.36456    849.36456 
    9000   -8194.5638   -8194.5638    -8268.736    -8268.736     287.0539     287.0539    22257.232    22257.232    758.90784    758.90784 
Loop time of 13.5883 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.358 ns/day, 3.775 hours/ns, 73.593 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.382     | 13.382     | 13.382     |   0.0 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041695   | 0.041695   | 0.041695   |   0.0 |  0.31
Output  | 4.6568e-05 | 4.6568e-05 | 4.6568e-05 |   0.0 |  0.00
Modify  | 0.14306    | 0.14306    | 0.14306    |   0.0 |  1.05
Other   |            | 0.02192    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5517.00 ave        5517 max        5517 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349512.0 ave      349512 max      349512 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349512
Ave neighs/atom = 174.75600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.557581091825, Press = 5.19151444803964
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -8194.5638   -8194.5638    -8268.736    -8268.736     287.0539     287.0539    22257.232    22257.232    758.90784    758.90784 
   10000    -8188.281    -8188.281    -8266.954    -8266.954    304.47254    304.47254    22279.491    22279.491   -637.82594   -637.82594 
Loop time of 13.5743 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.365 ns/day, 3.771 hours/ns, 73.669 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.367     | 13.367     | 13.367     |   0.0 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041915   | 0.041915   | 0.041915   |   0.0 |  0.31
Output  | 4.8791e-05 | 4.8791e-05 | 4.8791e-05 |   0.0 |  0.00
Modify  | 0.1431     | 0.1431     | 0.1431     |   0.0 |  1.05
Other   |            | 0.02194    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5519.00 ave        5519 max        5519 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349644.0 ave      349644 max      349644 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349644
Ave neighs/atom = 174.82200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.021285762311, Press = -2.05652096081861
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000    -8188.281    -8188.281    -8266.954    -8266.954    304.47254    304.47254    22279.491    22279.491   -637.82594   -637.82594 
   11000   -8193.2732   -8193.2732   -8268.9718   -8268.9718    292.96146    292.96146    22251.792    22251.792    1029.1803    1029.1803 
Loop time of 13.5596 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.372 ns/day, 3.767 hours/ns, 73.749 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.353     | 13.353     | 13.353     |   0.0 | 98.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041923   | 0.041923   | 0.041923   |   0.0 |  0.31
Output  | 7.3549e-05 | 7.3549e-05 | 7.3549e-05 |   0.0 |  0.00
Modify  | 0.14312    | 0.14312    | 0.14312    |   0.0 |  1.06
Other   |            | 0.02194    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5531.00 ave        5531 max        5531 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349526.0 ave      349526 max      349526 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349526
Ave neighs/atom = 174.76300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.247809340936, Press = -2.39178803096661
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -8193.2732   -8193.2732   -8268.9718   -8268.9718    292.96146    292.96146    22251.792    22251.792    1029.1803    1029.1803 
   12000   -8189.8932   -8189.8932   -8266.9336   -8266.9336    298.15442    298.15442    22259.174    22259.174    1295.5641    1295.5641 
Loop time of 13.5447 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.379 ns/day, 3.762 hours/ns, 73.829 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.338     | 13.338     | 13.338     |   0.0 | 98.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041865   | 0.041865   | 0.041865   |   0.0 |  0.31
Output  | 4.9498e-05 | 4.9498e-05 | 4.9498e-05 |   0.0 |  0.00
Modify  | 0.14291    | 0.14291    | 0.14291    |   0.0 |  1.06
Other   |            | 0.02194    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5517.00 ave        5517 max        5517 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349412.0 ave      349412 max      349412 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349412
Ave neighs/atom = 174.70600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.696428629621, Press = -1.57661706503173
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -8189.8932   -8189.8932   -8266.9336   -8266.9336    298.15442    298.15442    22259.174    22259.174    1295.5641    1295.5641 
   13000   -8191.3037   -8191.3037   -8268.5607   -8268.5607    298.99232    298.99232    22275.898    22275.898   -681.17537   -681.17537 
Loop time of 13.5453 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.379 ns/day, 3.763 hours/ns, 73.826 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.339     | 13.339     | 13.339     |   0.0 | 98.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041834   | 0.041834   | 0.041834   |   0.0 |  0.31
Output  | 4.7525e-05 | 4.7525e-05 | 4.7525e-05 |   0.0 |  0.00
Modify  | 0.14298    | 0.14298    | 0.14298    |   0.0 |  1.06
Other   |            | 0.02188    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5525.00 ave        5525 max        5525 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349488.0 ave      349488 max      349488 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349488
Ave neighs/atom = 174.74400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.63387175997, Press = 6.09020083423159
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -8191.3037   -8191.3037   -8268.5607   -8268.5607    298.99232    298.99232    22275.898    22275.898   -681.17537   -681.17537 
   14000   -8195.0616   -8195.0616   -8269.1559   -8269.1559    286.75236    286.75236    22274.944    22274.944   -894.68072   -894.68072 
Loop time of 13.5534 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.375 ns/day, 3.765 hours/ns, 73.782 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.347     | 13.347     | 13.347     |   0.0 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04191    | 0.04191    | 0.04191    |   0.0 |  0.31
Output  | 5.0204e-05 | 5.0204e-05 | 5.0204e-05 |   0.0 |  0.00
Modify  | 0.14283    | 0.14283    | 0.14283    |   0.0 |  1.05
Other   |            | 0.02187    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5508.00 ave        5508 max        5508 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349656.0 ave      349656 max      349656 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349656
Ave neighs/atom = 174.82800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.54224810081, Press = 5.02820365164702
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -8195.0616   -8195.0616   -8269.1559   -8269.1559    286.75236    286.75236    22274.944    22274.944   -894.68072   -894.68072 
   15000   -8191.5964   -8191.5964   -8270.2738   -8270.2738    304.48998    304.48998    22296.403    22296.403   -2834.0458   -2834.0458 
Loop time of 13.5547 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.374 ns/day, 3.765 hours/ns, 73.775 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.348     | 13.348     | 13.348     |   0.0 | 98.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041832   | 0.041832   | 0.041832   |   0.0 |  0.31
Output  | 7.3257e-05 | 7.3257e-05 | 7.3257e-05 |   0.0 |  0.00
Modify  | 0.14309    | 0.14309    | 0.14309    |   0.0 |  1.06
Other   |            | 0.02189    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5503.00 ave        5503 max        5503 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349456.0 ave      349456 max      349456 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349456
Ave neighs/atom = 174.72800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.352922868632, Press = -1.22801466058229
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -8191.5964   -8191.5964   -8270.2738   -8270.2738    304.48998    304.48998    22296.403    22296.403   -2834.0458   -2834.0458 
   16000   -8194.8282   -8194.8282   -8269.4167   -8269.4167    288.66518    288.66518    22286.047    22286.047   -2069.2686   -2069.2686 
Loop time of 13.5495 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.377 ns/day, 3.764 hours/ns, 73.803 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.343     | 13.343     | 13.343     |   0.0 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04178    | 0.04178    | 0.04178    |   0.0 |  0.31
Output  | 5.0602e-05 | 5.0602e-05 | 5.0602e-05 |   0.0 |  0.00
Modify  | 0.14283    | 0.14283    | 0.14283    |   0.0 |  1.05
Other   |            | 0.02185    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5501.00 ave        5501 max        5501 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349128.0 ave      349128 max      349128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349128
Ave neighs/atom = 174.56400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.149397425776, Press = -7.2414747341627
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -8194.8282   -8194.8282   -8269.4167   -8269.4167    288.66518    288.66518    22286.047    22286.047   -2069.2686   -2069.2686 
   17000   -8193.8479   -8193.8479   -8270.4519   -8270.4519    296.46556    296.46556    22271.158    22271.158   -775.80736   -775.80736 
Loop time of 13.5435 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.379 ns/day, 3.762 hours/ns, 73.836 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.337     | 13.337     | 13.337     |   0.0 | 98.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041793   | 0.041793   | 0.041793   |   0.0 |  0.31
Output  | 4.6984e-05 | 4.6984e-05 | 4.6984e-05 |   0.0 |  0.00
Modify  | 0.14294    | 0.14294    | 0.14294    |   0.0 |  1.06
Other   |            | 0.02193    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5509.00 ave        5509 max        5509 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349328.0 ave      349328 max      349328 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349328
Ave neighs/atom = 174.66400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.312983387271, Press = -9.6879933684599
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -8193.8479   -8193.8479   -8270.4519   -8270.4519    296.46556    296.46556    22271.158    22271.158   -775.80736   -775.80736 
   18000   -8193.8476   -8193.8476   -8268.0242   -8268.0242     287.0708     287.0708    22256.691    22256.691    1090.4217    1090.4217 
Loop time of 13.5416 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.380 ns/day, 3.762 hours/ns, 73.846 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.335     | 13.335     | 13.335     |   0.0 | 98.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041824   | 0.041824   | 0.041824   |   0.0 |  0.31
Output  | 4.663e-05  | 4.663e-05  | 4.663e-05  |   0.0 |  0.00
Modify  | 0.14286    | 0.14286    | 0.14286    |   0.0 |  1.05
Other   |            | 0.0219     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5516.00 ave        5516 max        5516 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349538.0 ave      349538 max      349538 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349538
Ave neighs/atom = 174.76900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.400461616861, Press = -5.4977186904361
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -8193.8476   -8193.8476   -8268.0242   -8268.0242     287.0708     287.0708    22256.691    22256.691    1090.4217    1090.4217 
   19000   -8197.2103   -8197.2103   -8270.9157   -8270.9157    285.24752    285.24752    22253.258    22253.258     33.42192     33.42192 
Loop time of 13.5474 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.378 ns/day, 3.763 hours/ns, 73.815 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.341     | 13.341     | 13.341     |   0.0 | 98.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041866   | 0.041866   | 0.041866   |   0.0 |  0.31
Output  | 6.8448e-05 | 6.8448e-05 | 6.8448e-05 |   0.0 |  0.00
Modify  | 0.14304    | 0.14304    | 0.14304    |   0.0 |  1.06
Other   |            | 0.02191    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5513.00 ave        5513 max        5513 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349648.0 ave      349648 max      349648 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349648
Ave neighs/atom = 174.82400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.388722747579, Press = -5.92489337907149
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -8197.2103   -8197.2103   -8270.9157   -8270.9157    285.24752    285.24752    22253.258    22253.258     33.42192     33.42192 
   20000    -8192.641    -8192.641   -8267.1827   -8267.1827    288.48398    288.48398    22245.126    22245.126    2088.8666    2088.8666 
Loop time of 13.5617 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.371 ns/day, 3.767 hours/ns, 73.737 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.355     | 13.355     | 13.355     |   0.0 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041905   | 0.041905   | 0.041905   |   0.0 |  0.31
Output  | 4.9883e-05 | 4.9883e-05 | 4.9883e-05 |   0.0 |  0.00
Modify  | 0.14295    | 0.14295    | 0.14295    |   0.0 |  1.05
Other   |            | 0.02185    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5523.00 ave        5523 max        5523 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349736.0 ave      349736 max      349736 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349736
Ave neighs/atom = 174.86800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.20827486015, Press = -1.17524052221296
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000    -8192.641    -8192.641   -8267.1827   -8267.1827    288.48398    288.48398    22245.126    22245.126    2088.8666    2088.8666 
   21000   -8198.9608   -8198.9608   -8273.0585   -8273.0585    286.76548    286.76548    22230.845    22230.845    953.76519    953.76519 
Loop time of 13.5421 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.380 ns/day, 3.762 hours/ns, 73.844 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.336     | 13.336     | 13.336     |   0.0 | 98.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041753   | 0.041753   | 0.041753   |   0.0 |  0.31
Output  | 4.7497e-05 | 4.7497e-05 | 4.7497e-05 |   0.0 |  0.00
Modify  | 0.14287    | 0.14287    | 0.14287    |   0.0 |  1.05
Other   |            | 0.02192    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5534.00 ave        5534 max        5534 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349508.0 ave      349508 max      349508 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349508
Ave neighs/atom = 174.75400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.110732539755, Press = -2.25440688609763
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -8198.9608   -8198.9608   -8273.0585   -8273.0585    286.76548    286.76548    22230.845    22230.845    953.76519    953.76519 
   22000   -8190.6301   -8190.6301   -8267.9714   -8267.9714    299.31894    299.31894    22277.391    22277.391    26.741129    26.741129 
Loop time of 13.5417 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.380 ns/day, 3.762 hours/ns, 73.846 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.335     | 13.335     | 13.335     |   0.0 | 98.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041631   | 0.041631   | 0.041631   |   0.0 |  0.31
Output  | 4.8226e-05 | 4.8226e-05 | 4.8226e-05 |   0.0 |  0.00
Modify  | 0.14314    | 0.14314    | 0.14314    |   0.0 |  1.06
Other   |            | 0.02184    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5533.00 ave        5533 max        5533 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349816.0 ave      349816 max      349816 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349816
Ave neighs/atom = 174.90800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.019275096102, Press = -1.96921918399087
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -8190.6301   -8190.6301   -8267.9714   -8267.9714    299.31894    299.31894    22277.391    22277.391    26.741129    26.741129 
   23000   -8194.1896   -8194.1896    -8268.443    -8268.443    287.36825    287.36825     22269.86     22269.86   -366.23804   -366.23804 
Loop time of 13.5247 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.388 ns/day, 3.757 hours/ns, 73.939 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.318     | 13.318     | 13.318     |   0.0 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041609   | 0.041609   | 0.041609   |   0.0 |  0.31
Output  | 4.8054e-05 | 4.8054e-05 | 4.8054e-05 |   0.0 |  0.00
Modify  | 0.14275    | 0.14275    | 0.14275    |   0.0 |  1.06
Other   |            | 0.02181    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5494.00 ave        5494 max        5494 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349512.0 ave      349512 max      349512 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349512
Ave neighs/atom = 174.75600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.101581019547, Press = -2.40320381189549
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -8194.1896   -8194.1896    -8268.443    -8268.443    287.36825    287.36825     22269.86     22269.86   -366.23804   -366.23804 
   24000   -8194.9931   -8194.9931   -8268.3428   -8268.3428    283.87078    283.87078    22316.507    22316.507   -4091.9913   -4091.9913 
Loop time of 13.5381 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.382 ns/day, 3.761 hours/ns, 73.865 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.332     | 13.332     | 13.332     |   0.0 | 98.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041792   | 0.041792   | 0.041792   |   0.0 |  0.31
Output  | 7.5068e-05 | 7.5068e-05 | 7.5068e-05 |   0.0 |  0.00
Modify  | 0.14295    | 0.14295    | 0.14295    |   0.0 |  1.06
Other   |            | 0.02183    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5497.00 ave        5497 max        5497 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349530.0 ave      349530 max      349530 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349530
Ave neighs/atom = 174.76500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.146507429648, Press = -0.472527126131413
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -8194.9931   -8194.9931   -8268.3428   -8268.3428    283.87078    283.87078    22316.507    22316.507   -4091.9913   -4091.9913 
   25000   -8193.0674   -8193.0674   -8270.0996   -8270.0996    298.12243    298.12243    22302.765    22302.765   -3460.8311   -3460.8311 
Loop time of 13.5126 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.394 ns/day, 3.754 hours/ns, 74.005 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.307     | 13.307     | 13.307     |   0.0 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041525   | 0.041525   | 0.041525   |   0.0 |  0.31
Output  | 4.8715e-05 | 4.8715e-05 | 4.8715e-05 |   0.0 |  0.00
Modify  | 0.14258    | 0.14258    | 0.14258    |   0.0 |  1.06
Other   |            | 0.02183    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5482.00 ave        5482 max        5482 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      348892.0 ave      348892 max      348892 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348892
Ave neighs/atom = 174.44600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.10475073404, Press = -3.75718111202632
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -8193.0674   -8193.0674   -8270.0996   -8270.0996    298.12243    298.12243    22302.765    22302.765   -3460.8311   -3460.8311 
   26000   -8193.1643   -8193.1643   -8268.0956   -8268.0956    289.99193    289.99193    22247.281    22247.281    1488.9159    1488.9159 
Loop time of 13.5435 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.379 ns/day, 3.762 hours/ns, 73.836 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.337     | 13.337     | 13.337     |   0.0 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041676   | 0.041676   | 0.041676   |   0.0 |  0.31
Output  | 6.4218e-05 | 6.4218e-05 | 6.4218e-05 |   0.0 |  0.00
Modify  | 0.1429     | 0.1429     | 0.1429     |   0.0 |  1.06
Other   |            | 0.02183    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5490.00 ave        5490 max        5490 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      348720.0 ave      348720 max      348720 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348720
Ave neighs/atom = 174.36000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.034162719447, Press = -3.23592754732238
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -8193.1643   -8193.1643   -8268.0956   -8268.0956    289.99193    289.99193    22247.281    22247.281    1488.9159    1488.9159 
   27000   -8191.7795   -8191.7795   -8268.9158   -8268.9158    298.52567    298.52567     22246.38     22246.38    1605.3369    1605.3369 
Loop time of 13.5763 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.364 ns/day, 3.771 hours/ns, 73.658 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.369     | 13.369     | 13.369     |   0.0 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041869   | 0.041869   | 0.041869   |   0.0 |  0.31
Output  | 5.4963e-05 | 5.4963e-05 | 5.4963e-05 |   0.0 |  0.00
Modify  | 0.14299    | 0.14299    | 0.14299    |   0.0 |  1.05
Other   |            | 0.02189    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5512.00 ave        5512 max        5512 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349866.0 ave      349866 max      349866 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349866
Ave neighs/atom = 174.93300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.003758495608, Press = -2.4726989444748
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -8191.7795   -8191.7795   -8268.9158   -8268.9158    298.52567    298.52567     22246.38     22246.38    1605.3369    1605.3369 
   28000   -8193.5304   -8193.5304   -8269.8852   -8269.8852    295.50118    295.50118    22246.835    22246.835     1245.792     1245.792 
Loop time of 13.5811 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.362 ns/day, 3.773 hours/ns, 73.632 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.374     | 13.374     | 13.374     |   0.0 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04169    | 0.04169    | 0.04169    |   0.0 |  0.31
Output  | 7.2482e-05 | 7.2482e-05 | 7.2482e-05 |   0.0 |  0.00
Modify  | 0.14314    | 0.14314    | 0.14314    |   0.0 |  1.05
Other   |            | 0.02187    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5501.00 ave        5501 max        5501 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350218.0 ave      350218 max      350218 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350218
Ave neighs/atom = 175.10900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.991556142082, Press = -0.330550020618666
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -8193.5304   -8193.5304   -8269.8852   -8269.8852    295.50118    295.50118    22246.835    22246.835     1245.792     1245.792 
   29000   -8196.2827   -8196.2827   -8269.9054   -8269.9054    284.92754    284.92754    22234.731    22234.731    2450.3146    2450.3146 
Loop time of 13.539 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.382 ns/day, 3.761 hours/ns, 73.861 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.333     | 13.333     | 13.333     |   0.0 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041563   | 0.041563   | 0.041563   |   0.0 |  0.31
Output  | 4.6381e-05 | 4.6381e-05 | 4.6381e-05 |   0.0 |  0.00
Modify  | 0.14257    | 0.14257    | 0.14257    |   0.0 |  1.05
Other   |            | 0.02188    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5530.00 ave        5530 max        5530 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349752.0 ave      349752 max      349752 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349752
Ave neighs/atom = 174.87600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.973116252715, Press = -0.350145499525155
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -8196.2827   -8196.2827   -8269.9054   -8269.9054    284.92754    284.92754    22234.731    22234.731    2450.3146    2450.3146 
   30000   -8192.9517   -8192.9517   -8268.0846   -8268.0846    290.77222    290.77222    22251.075    22251.075    1052.4335    1052.4335 
Loop time of 13.5265 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.387 ns/day, 3.757 hours/ns, 73.929 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.321     | 13.321     | 13.321     |   0.0 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041617   | 0.041617   | 0.041617   |   0.0 |  0.31
Output  | 4.5468e-05 | 4.5468e-05 | 4.5468e-05 |   0.0 |  0.00
Modify  | 0.14238    | 0.14238    | 0.14238    |   0.0 |  1.05
Other   |            | 0.02175    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5526.00 ave        5526 max        5526 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350156.0 ave      350156 max      350156 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350156
Ave neighs/atom = 175.07800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.857960975965, Press = 1.3460984584608
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -8192.9517   -8192.9517   -8268.0846   -8268.0846    290.77222    290.77222    22251.075    22251.075    1052.4335    1052.4335 
   31000   -8194.7674   -8194.7674   -8267.2213   -8267.2213    280.40374    280.40374    22249.079    22249.079    1702.4573    1702.4573 
Loop time of 13.5172 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.392 ns/day, 3.755 hours/ns, 73.980 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.313     | 13.313     | 13.313     |   0.0 | 98.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041485   | 0.041485   | 0.041485   |   0.0 |  0.31
Output  | 4.6586e-05 | 4.6586e-05 | 4.6586e-05 |   0.0 |  0.00
Modify  | 0.14149    | 0.14149    | 0.14149    |   0.0 |  1.05
Other   |            | 0.02163    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5515.00 ave        5515 max        5515 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349638.0 ave      349638 max      349638 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349638
Ave neighs/atom = 174.81900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.808528624573, Press = 0.704008438879816
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -8194.7674   -8194.7674   -8267.2213   -8267.2213    280.40374    280.40374    22249.079    22249.079    1702.4573    1702.4573 
   32000   -8193.0336   -8193.0336   -8270.2766   -8270.2766    298.93838    298.93838    22268.757    22268.757   -712.64019   -712.64019 
Loop time of 13.5247 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.388 ns/day, 3.757 hours/ns, 73.939 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.325     | 13.325     | 13.325     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04106    | 0.04106    | 0.04106    |   0.0 |  0.30
Output  | 4.366e-05  | 4.366e-05  | 4.366e-05  |   0.0 |  0.00
Modify  | 0.13824    | 0.13824    | 0.13824    |   0.0 |  1.02
Other   |            | 0.02081    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5516.00 ave        5516 max        5516 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349936.0 ave      349936 max      349936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349936
Ave neighs/atom = 174.96800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.812008448502, Press = 0.254746367425448
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -8193.0336   -8193.0336   -8270.2766   -8270.2766    298.93838    298.93838    22268.757    22268.757   -712.64019   -712.64019 
   33000   -8194.2718   -8194.2718   -8269.9608   -8269.9608    292.92453    292.92453    22268.073    22268.073   -405.91752   -405.91752 
Loop time of 13.5053 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.398 ns/day, 3.751 hours/ns, 74.045 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    | 13.306     | 13.306     | 13.306     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040673   | 0.040673   | 0.040673   |   0.0 |  0.30
Output  | 6.8261e-05 | 6.8261e-05 | 6.8261e-05 |   0.0 |  0.00
Modify  | 0.13814    | 0.13814    | 0.13814    |   0.0 |  1.02
Other   |            | 0.02066    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5525.00 ave        5525 max        5525 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349740.0 ave      349740 max      349740 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349740
Ave neighs/atom = 174.87000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.789730382855, Press = -0.846294225622696
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -8194.2718   -8194.2718   -8269.9608   -8269.9608    292.92453    292.92453    22268.073    22268.073   -405.91752   -405.91752 
   34000   -8194.0744   -8194.0744   -8268.5069   -8268.5069    288.06134    288.06134    22255.809    22255.809    1168.2463    1168.2463 
Loop time of 13.4959 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.402 ns/day, 3.749 hours/ns, 74.096 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    | 13.296     | 13.296     | 13.296     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040825   | 0.040825   | 0.040825   |   0.0 |  0.30
Output  | 4.2756e-05 | 4.2756e-05 | 4.2756e-05 |   0.0 |  0.00
Modify  | 0.13823    | 0.13823    | 0.13823    |   0.0 |  1.02
Other   |            | 0.02054    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5508.00 ave        5508 max        5508 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349486.0 ave      349486 max      349486 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349486
Ave neighs/atom = 174.74300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.716736647513, Press = -2.51240345439865
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -8194.0744   -8194.0744   -8268.5069   -8268.5069    288.06134    288.06134    22255.809    22255.809    1168.2463    1168.2463 
   35000   -8192.9186   -8192.9186   -8270.2306   -8270.2306    299.20541    299.20541    22217.598    22217.598    3446.2342    3446.2342 
Loop time of 13.5163 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.392 ns/day, 3.755 hours/ns, 73.985 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.317     | 13.317     | 13.317     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040595   | 0.040595   | 0.040595   |   0.0 |  0.30
Output  | 4.5458e-05 | 4.5458e-05 | 4.5458e-05 |   0.0 |  0.00
Modify  | 0.13804    | 0.13804    | 0.13804    |   0.0 |  1.02
Other   |            | 0.02056    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5502.00 ave        5502 max        5502 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349662.0 ave      349662 max      349662 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349662
Ave neighs/atom = 174.83100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.754608562084, Press = -1.50962678909182
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -8192.9186   -8192.9186   -8270.2306   -8270.2306    299.20541    299.20541    22217.598    22217.598    3446.2342    3446.2342 
   36000   -8192.3012   -8192.3012   -8268.3224   -8268.3224    294.20981    294.20981      22231.6      22231.6    3226.5017    3226.5017 
Loop time of 13.5028 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.399 ns/day, 3.751 hours/ns, 74.059 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.303     | 13.303     | 13.303     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040672   | 0.040672   | 0.040672   |   0.0 |  0.30
Output  | 4.3151e-05 | 4.3151e-05 | 4.3151e-05 |   0.0 |  0.00
Modify  | 0.13802    | 0.13802    | 0.13802    |   0.0 |  1.02
Other   |            | 0.02067    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5507.00 ave        5507 max        5507 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350186.0 ave      350186 max      350186 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350186
Ave neighs/atom = 175.09300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.748777967876, Press = 0.83801999354966
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -8192.3012   -8192.3012   -8268.3224   -8268.3224    294.20981    294.20981      22231.6      22231.6    3226.5017    3226.5017 
   37000   -8195.3353   -8195.3353   -8269.1725   -8269.1725    285.75766    285.75766    22256.853    22256.853    556.34838    556.34838 
Loop time of 13.5144 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.393 ns/day, 3.754 hours/ns, 73.995 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    | 13.315     | 13.315     | 13.315     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040631   | 0.040631   | 0.040631   |   0.0 |  0.30
Output  | 6.2848e-05 | 6.2848e-05 | 6.2848e-05 |   0.0 |  0.00
Modify  | 0.13784    | 0.13784    | 0.13784    |   0.0 |  1.02
Other   |            | 0.02053    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5503.00 ave        5503 max        5503 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350120.0 ave      350120 max      350120 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350120
Ave neighs/atom = 175.06000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.78083570909, Press = 0.970081755193273
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -8195.3353   -8195.3353   -8269.1725   -8269.1725    285.75766    285.75766    22256.853    22256.853    556.34838    556.34838 
   38000   -8194.5336   -8194.5336    -8270.025    -8270.025    292.15943    292.15943    22253.011    22253.011    842.05403    842.05403 
Loop time of 13.5154 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.393 ns/day, 3.754 hours/ns, 73.990 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.316     | 13.316     | 13.316     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040761   | 0.040761   | 0.040761   |   0.0 |  0.30
Output  | 4.4627e-05 | 4.4627e-05 | 4.4627e-05 |   0.0 |  0.00
Modify  | 0.13791    | 0.13791    | 0.13791    |   0.0 |  1.02
Other   |            | 0.02067    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5543.00 ave        5543 max        5543 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349446.0 ave      349446 max      349446 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349446
Ave neighs/atom = 174.72300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.772627923661, Press = -0.626997916786243
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -8194.5336   -8194.5336    -8270.025    -8270.025    292.15943    292.15943    22253.011    22253.011    842.05403    842.05403 
   39000   -8196.9078   -8196.9078   -8271.7964   -8271.7964    289.82667    289.82667    22237.459    22237.459    1016.7777    1016.7777 
Loop time of 13.5239 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.389 ns/day, 3.757 hours/ns, 73.943 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.324     | 13.324     | 13.324     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040714   | 0.040714   | 0.040714   |   0.0 |  0.30
Output  | 4.3204e-05 | 4.3204e-05 | 4.3204e-05 |   0.0 |  0.00
Modify  | 0.13809    | 0.13809    | 0.13809    |   0.0 |  1.02
Other   |            | 0.02072    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5537.00 ave        5537 max        5537 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349802.0 ave      349802 max      349802 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349802
Ave neighs/atom = 174.90100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.774244552041, Press = 1.29397213399873
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -8196.9078   -8196.9078   -8271.7964   -8271.7964    289.82667    289.82667    22237.459    22237.459    1016.7777    1016.7777 
   40000   -8193.0249   -8193.0249   -8268.8425   -8268.8425    293.42204    293.42204    22266.281    22266.281    178.83477    178.83477 
Loop time of 13.5176 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.392 ns/day, 3.755 hours/ns, 73.978 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.318     | 13.318     | 13.318     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040759   | 0.040759   | 0.040759   |   0.0 |  0.30
Output  | 4.3238e-05 | 4.3238e-05 | 4.3238e-05 |   0.0 |  0.00
Modify  | 0.13804    | 0.13804    | 0.13804    |   0.0 |  1.02
Other   |            | 0.02072    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5520.00 ave        5520 max        5520 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350170.0 ave      350170 max      350170 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350170
Ave neighs/atom = 175.08500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.694629996564, Press = -0.354309469738505
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -8193.0249   -8193.0249   -8268.8425   -8268.8425    293.42204    293.42204    22266.281    22266.281    178.83477    178.83477 
   41000   -8193.5576   -8193.5576    -8268.225    -8268.225    288.97052    288.97052    22248.533    22248.533    1808.1685    1808.1685 
Loop time of 13.5111 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.395 ns/day, 3.753 hours/ns, 74.013 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.311     | 13.311     | 13.311     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04094    | 0.04094    | 0.04094    |   0.0 |  0.30
Output  | 5.6652e-05 | 5.6652e-05 | 5.6652e-05 |   0.0 |  0.00
Modify  | 0.13824    | 0.13824    | 0.13824    |   0.0 |  1.02
Other   |            | 0.02061    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5511.00 ave        5511 max        5511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349594.0 ave      349594 max      349594 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349594
Ave neighs/atom = 174.79700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.729339964297, Press = 0.422365231431474
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -8193.5576   -8193.5576    -8268.225    -8268.225    288.97052    288.97052    22248.533    22248.533    1808.1685    1808.1685 
   42000   -8192.8407   -8192.8407   -8268.6009   -8268.6009    293.19956    293.19956    22253.406    22253.406    894.21958    894.21958 
Loop time of 13.5022 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.399 ns/day, 3.751 hours/ns, 74.062 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.302     | 13.302     | 13.302     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040657   | 0.040657   | 0.040657   |   0.0 |  0.30
Output  | 4.9032e-05 | 4.9032e-05 | 4.9032e-05 |   0.0 |  0.00
Modify  | 0.13828    | 0.13828    | 0.13828    |   0.0 |  1.02
Other   |            | 0.02073    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5500.00 ave        5500 max        5500 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349676.0 ave      349676 max      349676 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349676
Ave neighs/atom = 174.83800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.711063101108, Press = -1.5712277242303
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -8192.8407   -8192.8407   -8268.6009   -8268.6009    293.19956    293.19956    22253.406    22253.406    894.21958    894.21958 
   43000   -8197.1145   -8197.1145   -8271.4098   -8271.4098    287.53049    287.53049    22251.378    22251.378    575.06696    575.06696 
Loop time of 13.5236 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.389 ns/day, 3.757 hours/ns, 73.945 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.324     | 13.324     | 13.324     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040814   | 0.040814   | 0.040814   |   0.0 |  0.30
Output  | 4.2292e-05 | 4.2292e-05 | 4.2292e-05 |   0.0 |  0.00
Modify  | 0.13807    | 0.13807    | 0.13807    |   0.0 |  1.02
Other   |            | 0.02065    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5514.00 ave        5514 max        5514 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349598.0 ave      349598 max      349598 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349598
Ave neighs/atom = 174.79900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.669339006063, Press = -0.353663728423144
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -8197.1145   -8197.1145   -8271.4098   -8271.4098    287.53049    287.53049    22251.378    22251.378    575.06696    575.06696 
   44000   -8192.7606   -8192.7606    -8268.838    -8268.838    294.42763    294.42763    22288.706    22288.706   -2066.4146   -2066.4146 
Loop time of 13.5233 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.389 ns/day, 3.756 hours/ns, 73.946 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.324     | 13.324     | 13.324     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040712   | 0.040712   | 0.040712   |   0.0 |  0.30
Output  | 4.3147e-05 | 4.3147e-05 | 4.3147e-05 |   0.0 |  0.00
Modify  | 0.13796    | 0.13796    | 0.13796    |   0.0 |  1.02
Other   |            | 0.02061    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5512.00 ave        5512 max        5512 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350106.0 ave      350106 max      350106 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350106
Ave neighs/atom = 175.05300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.648411723216, Press = -0.63371434494505
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -8192.7606   -8192.7606    -8268.838    -8268.838    294.42763    294.42763    22288.706    22288.706   -2066.4146   -2066.4146 
   45000   -8197.6182   -8197.6182   -8270.7595   -8270.7595    283.06451    283.06451     22301.64     22301.64   -3760.5979   -3760.5979 
Loop time of 13.4972 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.401 ns/day, 3.749 hours/ns, 74.090 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.298     | 13.298     | 13.298     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040656   | 0.040656   | 0.040656   |   0.0 |  0.30
Output  | 4.365e-05  | 4.365e-05  | 4.365e-05  |   0.0 |  0.00
Modify  | 0.13833    | 0.13833    | 0.13833    |   0.0 |  1.02
Other   |            | 0.02056    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5511.00 ave        5511 max        5511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349224.0 ave      349224 max      349224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349224
Ave neighs/atom = 174.61200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.594237097498, Press = -1.12540821129
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -8197.6182   -8197.6182   -8270.7595   -8270.7595    283.06451    283.06451     22301.64     22301.64   -3760.5979   -3760.5979 
   46000   -8192.6451   -8192.6451   -8268.6759   -8268.6759    294.24707    294.24707     22297.85     22297.85   -2916.7629   -2916.7629 
Loop time of 13.5064 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.397 ns/day, 3.752 hours/ns, 74.039 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.307     | 13.307     | 13.307     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040584   | 0.040584   | 0.040584   |   0.0 |  0.30
Output  | 5.9439e-05 | 5.9439e-05 | 5.9439e-05 |   0.0 |  0.00
Modify  | 0.13804    | 0.13804    | 0.13804    |   0.0 |  1.02
Other   |            | 0.02066    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5521.00 ave        5521 max        5521 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349080.0 ave      349080 max      349080 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349080
Ave neighs/atom = 174.54000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.572428753493, Press = -1.83523145322148
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -8192.6451   -8192.6451   -8268.6759   -8268.6759    294.24707    294.24707     22297.85     22297.85   -2916.7629   -2916.7629 
   47000   -8196.6789   -8196.6789   -8270.6858   -8270.6858    286.41435    286.41435    22264.555    22264.555    -1140.752    -1140.752 
Loop time of 13.5085 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.396 ns/day, 3.752 hours/ns, 74.028 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    | 13.309     | 13.309     | 13.309     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040578   | 0.040578   | 0.040578   |   0.0 |  0.30
Output  | 4.2872e-05 | 4.2872e-05 | 4.2872e-05 |   0.0 |  0.00
Modify  | 0.13818    | 0.13818    | 0.13818    |   0.0 |  1.02
Other   |            | 0.02058    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5502.00 ave        5502 max        5502 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      348980.0 ave      348980 max      348980 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348980
Ave neighs/atom = 174.49000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.523022109468, Press = -1.33773795148052
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -8196.6789   -8196.6789   -8270.6858   -8270.6858    286.41435    286.41435    22264.555    22264.555    -1140.752    -1140.752 
   48000    -8192.392    -8192.392   -8269.0066   -8269.0066     296.5063     296.5063    22275.411    22275.411   -728.95229   -728.95229 
Loop time of 13.521 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.390 ns/day, 3.756 hours/ns, 73.959 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.321     | 13.321     | 13.321     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040506   | 0.040506   | 0.040506   |   0.0 |  0.30
Output  | 5.503e-05  | 5.503e-05  | 5.503e-05  |   0.0 |  0.00
Modify  | 0.13829    | 0.13829    | 0.13829    |   0.0 |  1.02
Other   |            | 0.02086    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5531.00 ave        5531 max        5531 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349556.0 ave      349556 max      349556 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349556
Ave neighs/atom = 174.77800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.512419266042, Press = -0.962527232198549
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000    -8192.392    -8192.392   -8269.0066   -8269.0066     296.5063     296.5063    22275.411    22275.411   -728.95229   -728.95229 
   49000   -8196.6604   -8196.6604   -8271.1275   -8271.1275    288.19515    288.19515    22235.414    22235.414    1152.8863    1152.8863 
Loop time of 13.5157 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.393 ns/day, 3.754 hours/ns, 73.988 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.316     | 13.316     | 13.316     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040803   | 0.040803   | 0.040803   |   0.0 |  0.30
Output  | 4.473e-05  | 4.473e-05  | 4.473e-05  |   0.0 |  0.00
Modify  | 0.13837    | 0.13837    | 0.13837    |   0.0 |  1.02
Other   |            | 0.0208     |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5517.00 ave        5517 max        5517 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349542.0 ave      349542 max      349542 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349542
Ave neighs/atom = 174.77100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.467857959916, Press = 0.912563043155498
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -8196.6604   -8196.6604   -8271.1275   -8271.1275    288.19515    288.19515    22235.414    22235.414    1152.8863    1152.8863 
   50000    -8191.418    -8191.418   -8266.8903   -8266.8903    292.08578    292.08578    22282.969    22282.969   -640.62412   -640.62412 
Loop time of 13.5248 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.388 ns/day, 3.757 hours/ns, 73.938 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.325     | 13.325     | 13.325     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040602   | 0.040602   | 0.040602   |   0.0 |  0.30
Output  | 5.837e-05  | 5.837e-05  | 5.837e-05  |   0.0 |  0.00
Modify  | 0.13834    | 0.13834    | 0.13834    |   0.0 |  1.02
Other   |            | 0.02081    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5512.00 ave        5512 max        5512 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350014.0 ave      350014 max      350014 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350014
Ave neighs/atom = 175.00700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.457995241885, Press = -0.817538659955015
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000    -8191.418    -8191.418   -8266.8903   -8266.8903    292.08578    292.08578    22282.969    22282.969   -640.62412   -640.62412 
   51000   -8189.7931   -8189.7931   -8266.6006   -8266.6006     297.2531     297.2531    22271.959    22271.959    56.449603    56.449603 
Loop time of 13.5097 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.395 ns/day, 3.753 hours/ns, 74.021 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.31      | 13.31      | 13.31      |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04088    | 0.04088    | 0.04088    |   0.0 |  0.30
Output  | 4.2989e-05 | 4.2989e-05 | 4.2989e-05 |   0.0 |  0.00
Modify  | 0.13836    | 0.13836    | 0.13836    |   0.0 |  1.02
Other   |            | 0.02082    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5510.00 ave        5510 max        5510 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349282.0 ave      349282 max      349282 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349282
Ave neighs/atom = 174.64100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.485028073376, Press = -1.03015538585989
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -8189.7931   -8189.7931   -8266.6006   -8266.6006     297.2531     297.2531    22271.959    22271.959    56.449603    56.449603 
   52000    -8191.443    -8191.443   -8268.7076   -8268.7076    299.02173    299.02173    22263.553    22263.553    5.2431304    5.2431304 
Loop time of 13.5029 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.399 ns/day, 3.751 hours/ns, 74.058 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.303     | 13.303     | 13.303     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040702   | 0.040702   | 0.040702   |   0.0 |  0.30
Output  | 4.2894e-05 | 4.2894e-05 | 4.2894e-05 |   0.0 |  0.00
Modify  | 0.13815    | 0.13815    | 0.13815    |   0.0 |  1.02
Other   |            | 0.02077    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5501.00 ave        5501 max        5501 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349246.0 ave      349246 max      349246 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349246
Ave neighs/atom = 174.62300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.509837764783, Press = -0.57600393412249
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000    -8191.443    -8191.443   -8268.7076   -8268.7076    299.02173    299.02173    22263.553    22263.553    5.2431304    5.2431304 
   53000   -8193.9684   -8193.9684   -8269.6494   -8269.6494    292.89359    292.89359    22274.971    22274.971   -1119.2053   -1119.2053 
Loop time of 13.5167 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.392 ns/day, 3.755 hours/ns, 73.983 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.317     | 13.317     | 13.317     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040411   | 0.040411   | 0.040411   |   0.0 |  0.30
Output  | 4.3141e-05 | 4.3141e-05 | 4.3141e-05 |   0.0 |  0.00
Modify  | 0.13833    | 0.13833    | 0.13833    |   0.0 |  1.02
Other   |            | 0.02075    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5502.00 ave        5502 max        5502 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349666.0 ave      349666 max      349666 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349666
Ave neighs/atom = 174.83300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.483685401107, Press = -0.750412392573233
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -8193.9684   -8193.9684   -8269.6494   -8269.6494    292.89359    292.89359    22274.971    22274.971   -1119.2053   -1119.2053 
   54000     -8193.28     -8193.28   -8268.9513   -8268.9513    292.85559    292.85559    22271.839    22271.839   -335.02844   -335.02844 
Loop time of 13.5012 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.399 ns/day, 3.750 hours/ns, 74.067 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    | 13.301     | 13.301     | 13.301     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04077    | 0.04077    | 0.04077    |   0.0 |  0.30
Output  | 5.5306e-05 | 5.5306e-05 | 5.5306e-05 |   0.0 |  0.00
Modify  | 0.13829    | 0.13829    | 0.13829    |   0.0 |  1.02
Other   |            | 0.02079    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5511.00 ave        5511 max        5511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349410.0 ave      349410 max      349410 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349410
Ave neighs/atom = 174.70500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.538118717643, Press = -2.00918967604565
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000     -8193.28     -8193.28   -8268.9513   -8268.9513    292.85559    292.85559    22271.839    22271.839   -335.02844   -335.02844 
   55000   -8190.1366   -8190.1366   -8268.6195   -8268.6195    303.73693    303.73693    22286.918    22286.918   -1216.5248   -1216.5248 
Loop time of 13.4889 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.405 ns/day, 3.747 hours/ns, 74.135 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.289     | 13.289     | 13.289     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040637   | 0.040637   | 0.040637   |   0.0 |  0.30
Output  | 6.0795e-05 | 6.0795e-05 | 6.0795e-05 |   0.0 |  0.00
Modify  | 0.13815    | 0.13815    | 0.13815    |   0.0 |  1.02
Other   |            | 0.0207     |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5504.00 ave        5504 max        5504 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349334.0 ave      349334 max      349334 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349334
Ave neighs/atom = 174.66700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.576134590411, Press = -1.38353594744626
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -8190.1366   -8190.1366   -8268.6195   -8268.6195    303.73693    303.73693    22286.918    22286.918   -1216.5248   -1216.5248 
   56000   -8195.7098   -8195.7098   -8269.8192   -8269.8192    286.81104    286.81104    22263.322    22263.322   -448.36871   -448.36871 
Loop time of 13.5186 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.391 ns/day, 3.755 hours/ns, 73.972 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.319     | 13.319     | 13.319     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040738   | 0.040738   | 0.040738   |   0.0 |  0.30
Output  | 4.5288e-05 | 4.5288e-05 | 4.5288e-05 |   0.0 |  0.00
Modify  | 0.13806    | 0.13806    | 0.13806    |   0.0 |  1.02
Other   |            | 0.02066    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5527.00 ave        5527 max        5527 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      348976.0 ave      348976 max      348976 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348976
Ave neighs/atom = 174.48800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.621572936428, Press = -1.78463246266993
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -8195.7098   -8195.7098   -8269.8192   -8269.8192    286.81104    286.81104    22263.322    22263.322   -448.36871   -448.36871 
   57000   -8193.3343   -8193.3343   -8268.2004   -8268.2004    289.73951    289.73951    22272.601    22272.601    -383.7757    -383.7757 
Loop time of 13.5059 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.397 ns/day, 3.752 hours/ns, 74.042 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.306     | 13.306     | 13.306     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040753   | 0.040753   | 0.040753   |   0.0 |  0.30
Output  | 4.2358e-05 | 4.2358e-05 | 4.2358e-05 |   0.0 |  0.00
Modify  | 0.13832    | 0.13832    | 0.13832    |   0.0 |  1.02
Other   |            | 0.02083    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5519.00 ave        5519 max        5519 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349562.0 ave      349562 max      349562 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349562
Ave neighs/atom = 174.78100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.640709032712, Press = -1.07668057198034
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -8193.3343   -8193.3343   -8268.2004   -8268.2004    289.73951    289.73951    22272.601    22272.601    -383.7757    -383.7757 
   58000   -8194.9957   -8194.9957   -8271.3853   -8271.3853    295.63578    295.63578    22266.728    22266.728   -1178.7165   -1178.7165 
Loop time of 13.5185 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.391 ns/day, 3.755 hours/ns, 73.973 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.318     | 13.318     | 13.318     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040981   | 0.040981   | 0.040981   |   0.0 |  0.30
Output  | 4.1971e-05 | 4.1971e-05 | 4.1971e-05 |   0.0 |  0.00
Modify  | 0.13818    | 0.13818    | 0.13818    |   0.0 |  1.02
Other   |            | 0.02082    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5507.00 ave        5507 max        5507 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349416.0 ave      349416 max      349416 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349416
Ave neighs/atom = 174.70800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.636653623012, Press = -2.76960672362463
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -8194.9957   -8194.9957   -8271.3853   -8271.3853    295.63578    295.63578    22266.728    22266.728   -1178.7165   -1178.7165 
   59000   -8193.4234   -8193.4234   -8269.6508   -8269.6508    295.00777    295.00777    22257.817    22257.817    614.19682    614.19682 
Loop time of 13.5226 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.389 ns/day, 3.756 hours/ns, 73.950 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.323     | 13.323     | 13.323     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040644   | 0.040644   | 0.040644   |   0.0 |  0.30
Output  | 5.9581e-05 | 5.9581e-05 | 5.9581e-05 |   0.0 |  0.00
Modify  | 0.13829    | 0.13829    | 0.13829    |   0.0 |  1.02
Other   |            | 0.02073    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5528.00 ave        5528 max        5528 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349246.0 ave      349246 max      349246 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349246
Ave neighs/atom = 174.62300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.659443826023, Press = -1.79172949111614
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -8193.4234   -8193.4234   -8269.6508   -8269.6508    295.00777    295.00777    22257.817    22257.817    614.19682    614.19682 
   60000   -8191.7498   -8191.7498    -8266.882    -8266.882    290.76902    290.76902    22245.432    22245.432    2066.8428    2066.8428 
Loop time of 13.496 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.402 ns/day, 3.749 hours/ns, 74.096 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    | 13.296     | 13.296     | 13.296     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040764   | 0.040764   | 0.040764   |   0.0 |  0.30
Output  | 4.2908e-05 | 4.2908e-05 | 4.2908e-05 |   0.0 |  0.00
Modify  | 0.13824    | 0.13824    | 0.13824    |   0.0 |  1.02
Other   |            | 0.02067    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5513.00 ave        5513 max        5513 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349722.0 ave      349722 max      349722 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349722
Ave neighs/atom = 174.86100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.715499063785, Press = -0.813780660494732
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000   -8191.7498   -8191.7498    -8266.882    -8266.882    290.76902    290.76902    22245.432    22245.432    2066.8428    2066.8428 
   61000   -8192.7936   -8192.7936   -8268.3709   -8268.3709    292.49195    292.49195    22250.924    22250.924    1663.9315    1663.9315 
Loop time of 13.5124 on 1 procs for 1000 steps with 2000 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.313     | 13.313     | 13.313     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040561   | 0.040561   | 0.040561   |   0.0 |  0.30
Output  | 4.212e-05  | 4.212e-05  | 4.212e-05  |   0.0 |  0.00
Modify  | 0.13832    | 0.13832    | 0.13832    |   0.0 |  1.02
Other   |            | 0.02071    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5500.00 ave        5500 max        5500 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349840.0 ave      349840 max      349840 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349840
Ave neighs/atom = 174.92000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.723130407072, Press = -1.65690222302081
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -8192.7936   -8192.7936   -8268.3709   -8268.3709    292.49195    292.49195    22250.924    22250.924    1663.9315    1663.9315 
   62000   -8193.5516   -8193.5516   -8269.5563   -8269.5563    294.14578    294.14578    22264.738    22264.738   -460.46578   -460.46578 
Loop time of 13.5134 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.394 ns/day, 3.754 hours/ns, 74.001 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.314     | 13.314     | 13.314     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040674   | 0.040674   | 0.040674   |   0.0 |  0.30
Output  | 4.2351e-05 | 4.2351e-05 | 4.2351e-05 |   0.0 |  0.00
Modify  | 0.13828    | 0.13828    | 0.13828    |   0.0 |  1.02
Other   |            | 0.02074    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5511.00 ave        5511 max        5511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349760.0 ave      349760 max      349760 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349760
Ave neighs/atom = 174.88000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.731429297806, Press = -0.968996681784879
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -8193.5516   -8193.5516   -8269.5563   -8269.5563    294.14578    294.14578    22264.738    22264.738   -460.46578   -460.46578 
   63000   -8190.2919   -8190.2919   -8268.6147   -8268.6147    303.11736    303.11736    22273.709    22273.709    -269.0599    -269.0599 
Loop time of 13.4982 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.401 ns/day, 3.749 hours/ns, 74.084 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    | 13.299     | 13.299     | 13.299     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040567   | 0.040567   | 0.040567   |   0.0 |  0.30
Output  | 4.2428e-05 | 4.2428e-05 | 4.2428e-05 |   0.0 |  0.00
Modify  | 0.13811    | 0.13811    | 0.13811    |   0.0 |  1.02
Other   |            | 0.02077    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5510.00 ave        5510 max        5510 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349632.0 ave      349632 max      349632 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349632
Ave neighs/atom = 174.81600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.754119212207, Press = -0.839217286300723
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -8190.2919   -8190.2919   -8268.6147   -8268.6147    303.11736    303.11736    22273.709    22273.709    -269.0599    -269.0599 
   64000   -8193.9394   -8193.9394   -8269.5713   -8269.5713    292.70333    292.70333    22236.082    22236.082    2277.4754    2277.4754 
Loop time of 13.4993 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.400 ns/day, 3.750 hours/ns, 74.078 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    | 13.3       | 13.3       | 13.3       |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040939   | 0.040939   | 0.040939   |   0.0 |  0.30
Output  | 5.9661e-05 | 5.9661e-05 | 5.9661e-05 |   0.0 |  0.00
Modify  | 0.13813    | 0.13813    | 0.13813    |   0.0 |  1.02
Other   |            | 0.02064    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5508.00 ave        5508 max        5508 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349280.0 ave      349280 max      349280 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349280
Ave neighs/atom = 174.64000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.773237653111, Press = -0.24631525007841
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -8193.9394   -8193.9394   -8269.5713   -8269.5713    292.70333    292.70333    22236.082    22236.082    2277.4754    2277.4754 
   65000   -8196.1463   -8196.1463   -8271.6006   -8271.6006    292.01581    292.01581    22202.196    22202.196    4450.2166    4450.2166 
Loop time of 13.4866 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.406 ns/day, 3.746 hours/ns, 74.148 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.287     | 13.287     | 13.287     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04065    | 0.04065    | 0.04065    |   0.0 |  0.30
Output  | 4.4772e-05 | 4.4772e-05 | 4.4772e-05 |   0.0 |  0.00
Modify  | 0.13775    | 0.13775    | 0.13775    |   0.0 |  1.02
Other   |            | 0.02071    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5520.00 ave        5520 max        5520 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350088.0 ave      350088 max      350088 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350088
Ave neighs/atom = 175.04400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.775949550247, Press = -0.0977280842768082
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -8196.1463   -8196.1463   -8271.6006   -8271.6006    292.01581    292.01581    22202.196    22202.196    4450.2166    4450.2166 
   66000   -8192.8703   -8192.8703   -8269.0409   -8269.0409    294.78819    294.78819    22249.172    22249.172    1542.6085    1542.6085 
Loop time of 13.5254 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.388 ns/day, 3.757 hours/ns, 73.935 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    | 13.326     | 13.326     | 13.326     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040565   | 0.040565   | 0.040565   |   0.0 |  0.30
Output  | 4.4134e-05 | 4.4134e-05 | 4.4134e-05 |   0.0 |  0.00
Modify  | 0.13842    | 0.13842    | 0.13842    |   0.0 |  1.02
Other   |            | 0.02079    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5528.00 ave        5528 max        5528 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350532.0 ave      350532 max      350532 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350532
Ave neighs/atom = 175.26600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.727880424023, Press = 0.253959366372794
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000   -8192.8703   -8192.8703   -8269.0409   -8269.0409    294.78819    294.78819    22249.172    22249.172    1542.6085    1542.6085 
   67000   -8192.6038   -8192.6038    -8269.049    -8269.049    295.85069    295.85069    22269.675    22269.675   -604.93353   -604.93353 
Loop time of 13.5065 on 1 procs for 1000 steps with 2000 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.307     | 13.307     | 13.307     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040633   | 0.040633   | 0.040633   |   0.0 |  0.30
Output  | 4.7864e-05 | 4.7864e-05 | 4.7864e-05 |   0.0 |  0.00
Modify  | 0.13818    | 0.13818    | 0.13818    |   0.0 |  1.02
Other   |            | 0.02074    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5516.00 ave        5516 max        5516 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349782.0 ave      349782 max      349782 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349782
Ave neighs/atom = 174.89100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.70902585241, Press = -0.255399683959639
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000   -8192.6038   -8192.6038    -8269.049    -8269.049    295.85069    295.85069    22269.675    22269.675   -604.93353   -604.93353 
   68000   -8192.4254   -8192.4254   -8269.3063   -8269.3063     297.5372     297.5372    22255.382    22255.382    538.39411    538.39411 
Loop time of 13.5152 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.393 ns/day, 3.754 hours/ns, 73.991 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.316     | 13.316     | 13.316     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040642   | 0.040642   | 0.040642   |   0.0 |  0.30
Output  | 5.7187e-05 | 5.7187e-05 | 5.7187e-05 |   0.0 |  0.00
Modify  | 0.13819    | 0.13819    | 0.13819    |   0.0 |  1.02
Other   |            | 0.02078    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5501.00 ave        5501 max        5501 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349696.0 ave      349696 max      349696 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349696
Ave neighs/atom = 174.84800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.686241632449, Press = -1.48290266966769
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   68000   -8192.4254   -8192.4254   -8269.3063   -8269.3063     297.5372     297.5372    22255.382    22255.382    538.39411    538.39411 
   69000   -8194.1319   -8194.1319   -8269.3766   -8269.3766    291.20474    291.20474    22252.387    22252.387    1369.6608    1369.6608 
Loop time of 13.5196 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.391 ns/day, 3.755 hours/ns, 73.967 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.32      | 13.32      | 13.32      |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040956   | 0.040956   | 0.040956   |   0.0 |  0.30
Output  | 4.2338e-05 | 4.2338e-05 | 4.2338e-05 |   0.0 |  0.00
Modify  | 0.1379     | 0.1379     | 0.1379     |   0.0 |  1.02
Other   |            | 0.02064    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5504.00 ave        5504 max        5504 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349726.0 ave      349726 max      349726 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349726
Ave neighs/atom = 174.86300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.699983485919, Press = -1.79204747388089
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   69000   -8194.1319   -8194.1319   -8269.3766   -8269.3766    291.20474    291.20474    22252.387    22252.387    1369.6608    1369.6608 
   70000   -8195.5808   -8195.5808   -8270.4101   -8270.4101    289.59693    289.59693    22253.306    22253.306    133.59863    133.59863 
Loop time of 13.5138 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.393 ns/day, 3.754 hours/ns, 73.998 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.315     | 13.315     | 13.315     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040469   | 0.040469   | 0.040469   |   0.0 |  0.30
Output  | 5.3183e-05 | 5.3183e-05 | 5.3183e-05 |   0.0 |  0.00
Modify  | 0.13795    | 0.13795    | 0.13795    |   0.0 |  1.02
Other   |            | 0.02056    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5503.00 ave        5503 max        5503 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350000.0 ave      350000 max      350000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350000
Ave neighs/atom = 175.00000
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 = 292.712670916005, Press = -1.82461193622602
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   70000   -8195.5808   -8195.5808   -8270.4101   -8270.4101    289.59693    289.59693    22253.306    22253.306    133.59863    133.59863 
   71000   -8193.1615   -8193.1615   -8267.3522   -8267.3522    287.12568    287.12568     22247.96     22247.96    2001.1968    2001.1968 
Loop time of 13.5162 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.392 ns/day, 3.755 hours/ns, 73.985 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.317     | 13.317     | 13.317     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040557   | 0.040557   | 0.040557   |   0.0 |  0.30
Output  | 5.3052e-05 | 5.3052e-05 | 5.3052e-05 |   0.0 |  0.00
Modify  | 0.13797    | 0.13797    | 0.13797    |   0.0 |  1.02
Other   |            | 0.02073    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5524.00 ave        5524 max        5524 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349680.0 ave      349680 max      349680 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349680
Ave neighs/atom = 174.84000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.701294990696, Press = -1.00096008262078
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   71000   -8193.1615   -8193.1615   -8267.3522   -8267.3522    287.12568    287.12568     22247.96     22247.96    2001.1968    2001.1968 
   72000   -8193.3638   -8193.3638   -8270.6883   -8270.6883    299.25369    299.25369    22207.893    22207.893    4253.7368    4253.7368 
Loop time of 13.5254 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.388 ns/day, 3.757 hours/ns, 73.935 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    | 13.326     | 13.326     | 13.326     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040725   | 0.040725   | 0.040725   |   0.0 |  0.30
Output  | 5.6387e-05 | 5.6387e-05 | 5.6387e-05 |   0.0 |  0.00
Modify  | 0.138      | 0.138      | 0.138      |   0.0 |  1.02
Other   |            | 0.02076    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5516.00 ave        5516 max        5516 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350056.0 ave      350056 max      350056 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350056
Ave neighs/atom = 175.02800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.666384521742, Press = 0.296210149231756
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   72000   -8193.3638   -8193.3638   -8270.6883   -8270.6883    299.25369    299.25369    22207.893    22207.893    4253.7368    4253.7368 
   73000   -8194.5213   -8194.5213   -8269.7107   -8269.7107      290.991      290.991    22250.617    22250.617    1179.7027    1179.7027 
Loop time of 13.5119 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.394 ns/day, 3.753 hours/ns, 74.009 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.312     | 13.312     | 13.312     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040751   | 0.040751   | 0.040751   |   0.0 |  0.30
Output  | 4.8805e-05 | 4.8805e-05 | 4.8805e-05 |   0.0 |  0.00
Modify  | 0.13823    | 0.13823    | 0.13823    |   0.0 |  1.02
Other   |            | 0.02071    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5506.00 ave        5506 max        5506 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350342.0 ave      350342 max      350342 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350342
Ave neighs/atom = 175.17100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.667237625848, Press = 0.157403590856872
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   73000   -8194.5213   -8194.5213   -8269.7107   -8269.7107      290.991      290.991    22250.617    22250.617    1179.7027    1179.7027 
   74000   -8193.5141   -8193.5141   -8267.1259   -8267.1259    284.88551    284.88551    22287.562    22287.562   -819.78947   -819.78947 
Loop time of 13.4901 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.405 ns/day, 3.747 hours/ns, 74.129 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    | 13.291     | 13.291     | 13.291     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040641   | 0.040641   | 0.040641   |   0.0 |  0.30
Output  | 4.3601e-05 | 4.3601e-05 | 4.3601e-05 |   0.0 |  0.00
Modify  | 0.1377     | 0.1377     | 0.1377     |   0.0 |  1.02
Other   |            | 0.02061    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5525.00 ave        5525 max        5525 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349894.0 ave      349894 max      349894 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349894
Ave neighs/atom = 174.94700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.646753309442, Press = -0.459484675188234
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   74000   -8193.5141   -8193.5141   -8267.1259   -8267.1259    284.88551    284.88551    22287.562    22287.562   -819.78947   -819.78947 
   75000   -8189.2941   -8189.2941    -8267.986    -8267.986    304.54561    304.54561    22307.328    22307.328   -2847.8929   -2847.8929 
Loop time of 13.5011 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.399 ns/day, 3.750 hours/ns, 74.068 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.302     | 13.302     | 13.302     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040814   | 0.040814   | 0.040814   |   0.0 |  0.30
Output  | 4.4718e-05 | 4.4718e-05 | 4.4718e-05 |   0.0 |  0.00
Modify  | 0.13772    | 0.13772    | 0.13772    |   0.0 |  1.02
Other   |            | 0.02065    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5520.00 ave        5520 max        5520 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349238.0 ave      349238 max      349238 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349238
Ave neighs/atom = 174.61900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.67276166881, Press = -0.468274290438238
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   75000   -8189.2941   -8189.2941    -8267.986    -8267.986    304.54561    304.54561    22307.328    22307.328   -2847.8929   -2847.8929 
   76000   -8194.7591   -8194.7591   -8267.8576   -8267.8576    282.89889    282.89889    22255.354    22255.354    931.17119    931.17119 
Loop time of 13.476 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.411 ns/day, 3.743 hours/ns, 74.206 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.276     | 13.276     | 13.276     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040896   | 0.040896   | 0.040896   |   0.0 |  0.30
Output  | 4.2647e-05 | 4.2647e-05 | 4.2647e-05 |   0.0 |  0.00
Modify  | 0.13799    | 0.13799    | 0.13799    |   0.0 |  1.02
Other   |            | 0.02084    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5508.00 ave        5508 max        5508 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      348716.0 ave      348716 max      348716 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348716
Ave neighs/atom = 174.35800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.701850803703, Press = -0.53374930881992
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   76000   -8194.7591   -8194.7591   -8267.8576   -8267.8576    282.89889    282.89889    22255.354    22255.354    931.17119    931.17119 
   77000   -8195.9527   -8195.9527   -8270.5304   -8270.5304    288.62336    288.62336    22264.239    22264.239   -354.59363   -354.59363 
Loop time of 13.5042 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.398 ns/day, 3.751 hours/ns, 74.051 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.304     | 13.304     | 13.304     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041174   | 0.041174   | 0.041174   |   0.0 |  0.30
Output  | 5.769e-05  | 5.769e-05  | 5.769e-05  |   0.0 |  0.00
Modify  | 0.1379     | 0.1379     | 0.1379     |   0.0 |  1.02
Other   |            | 0.02081    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5515.00 ave        5515 max        5515 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349588.0 ave      349588 max      349588 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349588
Ave neighs/atom = 174.79400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.716149340434, Press = -0.806742759493074
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   77000   -8195.9527   -8195.9527   -8270.5304   -8270.5304    288.62336    288.62336    22264.239    22264.239   -354.59363   -354.59363 
   78000   -8193.4574   -8193.4574   -8268.7776   -8268.7776    291.49714    291.49714    22277.907    22277.907   -1061.7656   -1061.7656 
Loop time of 13.483 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.408 ns/day, 3.745 hours/ns, 74.168 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.283     | 13.283     | 13.283     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040724   | 0.040724   | 0.040724   |   0.0 |  0.30
Output  | 4.3141e-05 | 4.3141e-05 | 4.3141e-05 |   0.0 |  0.00
Modify  | 0.13799    | 0.13799    | 0.13799    |   0.0 |  1.02
Other   |            | 0.02079    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5513.00 ave        5513 max        5513 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349456.0 ave      349456 max      349456 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349456
Ave neighs/atom = 174.72800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.689977866282, Press = -0.0241070969562523
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   78000   -8193.4574   -8193.4574   -8268.7776   -8268.7776    291.49714    291.49714    22277.907    22277.907   -1061.7656   -1061.7656 
   79000   -8195.9609   -8195.9609   -8268.5634   -8268.5634    280.97928    280.97928    22283.905    22283.905   -1561.3095   -1561.3095 
Loop time of 13.4777 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.411 ns/day, 3.744 hours/ns, 74.197 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.278     | 13.278     | 13.278     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040932   | 0.040932   | 0.040932   |   0.0 |  0.30
Output  | 4.2509e-05 | 4.2509e-05 | 4.2509e-05 |   0.0 |  0.00
Modify  | 0.13797    | 0.13797    | 0.13797    |   0.0 |  1.02
Other   |            | 0.02079    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5515.00 ave        5515 max        5515 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349130.0 ave      349130 max      349130 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349130
Ave neighs/atom = 174.56500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.68127054096, Press = -0.721936218805475
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   79000   -8195.9609   -8195.9609   -8268.5634   -8268.5634    280.97928    280.97928    22283.905    22283.905   -1561.3095   -1561.3095 
   80000    -8192.848    -8192.848   -8267.0778   -8267.0778    287.27719    287.27719    22304.241    22304.241   -2608.9235   -2608.9235 
Loop time of 13.4863 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.406 ns/day, 3.746 hours/ns, 74.149 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.287     | 13.287     | 13.287     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040858   | 0.040858   | 0.040858   |   0.0 |  0.30
Output  | 4.3268e-05 | 4.3268e-05 | 4.3268e-05 |   0.0 |  0.00
Modify  | 0.13802    | 0.13802    | 0.13802    |   0.0 |  1.02
Other   |            | 0.02071    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5510.00 ave        5510 max        5510 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349272.0 ave      349272 max      349272 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349272
Ave neighs/atom = 174.63600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.668944797873, Press = -1.39799779234133
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   80000    -8192.848    -8192.848   -8267.0778   -8267.0778    287.27719    287.27719    22304.241    22304.241   -2608.9235   -2608.9235 
   81000   -8194.1545   -8194.1545    -8269.912    -8269.912    293.18933    293.18933    22290.125    22290.125   -2061.8813   -2061.8813 
Loop time of 13.4898 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.405 ns/day, 3.747 hours/ns, 74.130 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.29      | 13.29      | 13.29      |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040761   | 0.040761   | 0.040761   |   0.0 |  0.30
Output  | 5.6025e-05 | 5.6025e-05 | 5.6025e-05 |   0.0 |  0.00
Modify  | 0.13802    | 0.13802    | 0.13802    |   0.0 |  1.02
Other   |            | 0.02077    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5506.00 ave        5506 max        5506 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349066.0 ave      349066 max      349066 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349066
Ave neighs/atom = 174.53300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.683124797747, Press = -1.27594180016468
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   81000   -8194.1545   -8194.1545    -8269.912    -8269.912    293.18933    293.18933    22290.125    22290.125   -2061.8813   -2061.8813 
   82000     -8192.68     -8192.68   -8268.9986   -8268.9986      295.361      295.361    22282.526    22282.526   -1376.8724   -1376.8724 
Loop time of 13.4864 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.406 ns/day, 3.746 hours/ns, 74.149 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.287     | 13.287     | 13.287     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040839   | 0.040839   | 0.040839   |   0.0 |  0.30
Output  | 4.2665e-05 | 4.2665e-05 | 4.2665e-05 |   0.0 |  0.00
Modify  | 0.13785    | 0.13785    | 0.13785    |   0.0 |  1.02
Other   |            | 0.02078    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5521.00 ave        5521 max        5521 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349334.0 ave      349334 max      349334 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349334
Ave neighs/atom = 174.66700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.686530401373, Press = -0.86067047452039
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   82000     -8192.68     -8192.68   -8268.9986   -8268.9986      295.361      295.361    22282.526    22282.526   -1376.8724   -1376.8724 
   83000   -8191.5146   -8191.5146   -8268.1803   -8268.1803    296.70418    296.70418    22291.938    22291.938   -1972.0879   -1972.0879 
Loop time of 13.492 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.404 ns/day, 3.748 hours/ns, 74.118 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.292     | 13.292     | 13.292     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040753   | 0.040753   | 0.040753   |   0.0 |  0.30
Output  | 4.2646e-05 | 4.2646e-05 | 4.2646e-05 |   0.0 |  0.00
Modify  | 0.13791    | 0.13791    | 0.13791    |   0.0 |  1.02
Other   |            | 0.02089    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5511.00 ave        5511 max        5511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349252.0 ave      349252 max      349252 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349252
Ave neighs/atom = 174.62600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.685633926664, Press = -1.06970200186479
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   83000   -8191.5146   -8191.5146   -8268.1803   -8268.1803    296.70418    296.70418    22291.938    22291.938   -1972.0879   -1972.0879 
   84000   -8191.4067   -8191.4067   -8268.4604   -8268.4604    298.20565    298.20565    22278.798    22278.798   -704.91513   -704.91513 
Loop time of 13.4595 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.419 ns/day, 3.739 hours/ns, 74.297 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.26      | 13.26      | 13.26      |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040784   | 0.040784   | 0.040784   |   0.0 |  0.30
Output  | 4.279e-05  | 4.279e-05  | 4.279e-05  |   0.0 |  0.00
Modify  | 0.13785    | 0.13785    | 0.13785    |   0.0 |  1.02
Other   |            | 0.0208     |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5504.00 ave        5504 max        5504 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349260.0 ave      349260 max      349260 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349260
Ave neighs/atom = 174.63000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.707435613692, Press = -1.70813213296901
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   84000   -8191.4067   -8191.4067   -8268.4604   -8268.4604    298.20565    298.20565    22278.798    22278.798   -704.91513   -704.91513 
   85000   -8190.8571   -8190.8571   -8268.3641   -8268.3641    299.96015    299.96015    22250.642    22250.642    1724.8299    1724.8299 
Loop time of 13.4794 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.410 ns/day, 3.744 hours/ns, 74.188 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.28      | 13.28      | 13.28      |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040802   | 0.040802   | 0.040802   |   0.0 |  0.30
Output  | 0.0002459  | 0.0002459  | 0.0002459  |   0.0 |  0.00
Modify  | 0.13791    | 0.13791    | 0.13791    |   0.0 |  1.02
Other   |            | 0.02085    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5527.00 ave        5527 max        5527 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349196.0 ave      349196 max      349196 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349196
Ave neighs/atom = 174.59800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.712482351021, Press = -1.1122020108147
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   85000   -8190.8571   -8190.8571   -8268.3641   -8268.3641    299.96015    299.96015    22250.642    22250.642    1724.8299    1724.8299 
   86000   -8193.6532   -8193.6532   -8269.1358   -8269.1358    292.12559    292.12559    22208.699    22208.699     4197.286     4197.286 
Loop time of 13.4975 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.401 ns/day, 3.749 hours/ns, 74.088 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.298     | 13.298     | 13.298     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040778   | 0.040778   | 0.040778   |   0.0 |  0.30
Output  | 6.85e-05   | 6.85e-05   | 6.85e-05   |   0.0 |  0.00
Modify  | 0.1381     | 0.1381     | 0.1381     |   0.0 |  1.02
Other   |            | 0.02088    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5516.00 ave        5516 max        5516 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349736.0 ave      349736 max      349736 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349736
Ave neighs/atom = 174.86800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.748355862619, Press = -0.557995171487746
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   86000   -8193.6532   -8193.6532   -8269.1358   -8269.1358    292.12559    292.12559    22208.699    22208.699     4197.286     4197.286 
   87000   -8187.9617   -8187.9617   -8265.5938   -8265.5938    300.44424    300.44424     22240.51     22240.51    3672.6246    3672.6246 
Loop time of 13.496 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.402 ns/day, 3.749 hours/ns, 74.096 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    | 13.297     | 13.297     | 13.297     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040588   | 0.040588   | 0.040588   |   0.0 |  0.30
Output  | 4.2975e-05 | 4.2975e-05 | 4.2975e-05 |   0.0 |  0.00
Modify  | 0.13788    | 0.13788    | 0.13788    |   0.0 |  1.02
Other   |            | 0.02089    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5516.00 ave        5516 max        5516 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350292.0 ave      350292 max      350292 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350292
Ave neighs/atom = 175.14600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.77222271412, Press = -0.182715648338265
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   87000   -8187.9617   -8187.9617   -8265.5938   -8265.5938    300.44424    300.44424     22240.51     22240.51    3672.6246    3672.6246 
   88000   -8196.4963   -8196.4963   -8269.2782   -8269.2782    281.67374    281.67374    22244.197    22244.197      1581.27      1581.27 
Loop time of 13.5077 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.396 ns/day, 3.752 hours/ns, 74.032 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.308     | 13.308     | 13.308     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040695   | 0.040695   | 0.040695   |   0.0 |  0.30
Output  | 4.2944e-05 | 4.2944e-05 | 4.2944e-05 |   0.0 |  0.00
Modify  | 0.1383     | 0.1383     | 0.1383     |   0.0 |  1.02
Other   |            | 0.02104    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5532.00 ave        5532 max        5532 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350142.0 ave      350142 max      350142 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350142
Ave neighs/atom = 175.07100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.788576746672, Press = 0.121845847621436
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   88000   -8196.4963   -8196.4963   -8269.2782   -8269.2782    281.67374    281.67374    22244.197    22244.197      1581.27      1581.27 
   89000    -8192.293    -8192.293   -8269.4252   -8269.4252    298.50944    298.50944    22263.401    22263.401   -85.473179   -85.473179 
Loop time of 13.5037 on 1 procs for 1000 steps with 2000 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.304     | 13.304     | 13.304     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040709   | 0.040709   | 0.040709   |   0.0 |  0.30
Output  | 4.4019e-05 | 4.4019e-05 | 4.4019e-05 |   0.0 |  0.00
Modify  | 0.13826    | 0.13826    | 0.13826    |   0.0 |  1.02
Other   |            | 0.02094    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5528.00 ave        5528 max        5528 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349742.0 ave      349742 max      349742 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349742
Ave neighs/atom = 174.87100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.780312533438, Press = -0.511306619875337
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   89000    -8192.293    -8192.293   -8269.4252   -8269.4252    298.50944    298.50944    22263.401    22263.401   -85.473179   -85.473179 
   90000   -8194.7487   -8194.7487   -8269.5997   -8269.5997     289.6812     289.6812    22266.388    22266.388   -492.97096   -492.97096 
Loop time of 13.4872 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.406 ns/day, 3.746 hours/ns, 74.145 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.287     | 13.287     | 13.287     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040704   | 0.040704   | 0.040704   |   0.0 |  0.30
Output  | 5.78e-05   | 5.78e-05   | 5.78e-05   |   0.0 |  0.00
Modify  | 0.13809    | 0.13809    | 0.13809    |   0.0 |  1.02
Other   |            | 0.0209     |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5516.00 ave        5516 max        5516 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349386.0 ave      349386 max      349386 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349386
Ave neighs/atom = 174.69300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.744048023771, Press = -0.654284924683437
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   90000   -8194.7487   -8194.7487   -8269.5997   -8269.5997     289.6812     289.6812    22266.388    22266.388   -492.97096   -492.97096 
   91000   -8191.0042   -8191.0042   -8268.6402   -8268.6402    300.45945    300.45945    22272.148    22272.148    -188.4232    -188.4232 
Loop time of 13.4862 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.407 ns/day, 3.746 hours/ns, 74.150 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.286     | 13.286     | 13.286     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040787   | 0.040787   | 0.040787   |   0.0 |  0.30
Output  | 4.2733e-05 | 4.2733e-05 | 4.2733e-05 |   0.0 |  0.00
Modify  | 0.13805    | 0.13805    | 0.13805    |   0.0 |  1.02
Other   |            | 0.02092    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5514.00 ave        5514 max        5514 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349482.0 ave      349482 max      349482 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349482
Ave neighs/atom = 174.74100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.758708782497, Press = -0.56689976765529
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   91000   -8191.0042   -8191.0042   -8268.6402   -8268.6402    300.45945    300.45945    22272.148    22272.148    -188.4232    -188.4232 
   92000   -8192.1301   -8192.1301   -8266.7151   -8266.7151    288.65171    288.65171    22261.181    22261.181    1115.5295    1115.5295 
Loop time of 13.4905 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.405 ns/day, 3.747 hours/ns, 74.126 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.291     | 13.291     | 13.291     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04048    | 0.04048    | 0.04048    |   0.0 |  0.30
Output  | 5.067e-05  | 5.067e-05  | 5.067e-05  |   0.0 |  0.00
Modify  | 0.13825    | 0.13825    | 0.13825    |   0.0 |  1.02
Other   |            | 0.02089    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5496.00 ave        5496 max        5496 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349388.0 ave      349388 max      349388 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349388
Ave neighs/atom = 174.69400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.752008042152, Press = 0.573259338636055
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   92000   -8192.1301   -8192.1301   -8266.7151   -8266.7151    288.65171    288.65171    22261.181    22261.181    1115.5295    1115.5295 
   93000   -8196.5492   -8196.5492    -8271.301    -8271.301    289.29737    289.29737    22262.392    22262.392   -848.10806   -848.10806 
Loop time of 13.503 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.399 ns/day, 3.751 hours/ns, 74.057 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.303     | 13.303     | 13.303     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040823   | 0.040823   | 0.040823   |   0.0 |  0.30
Output  | 4.2344e-05 | 4.2344e-05 | 4.2344e-05 |   0.0 |  0.00
Modify  | 0.13798    | 0.13798    | 0.13798    |   0.0 |  1.02
Other   |            | 0.0209     |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5520.00 ave        5520 max        5520 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349436.0 ave      349436 max      349436 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349436
Ave neighs/atom = 174.71800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.731283766183, Press = 0.518134631483061
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   93000   -8196.5492   -8196.5492    -8271.301    -8271.301    289.29737    289.29737    22262.392    22262.392   -848.10806   -848.10806 
   94000   -8192.8739   -8192.8739   -8267.8625   -8267.8625    290.21352    290.21352    22291.335    22291.335   -1521.0724   -1521.0724 
Loop time of 13.4824 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.408 ns/day, 3.745 hours/ns, 74.171 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.283     | 13.283     | 13.283     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040647   | 0.040647   | 0.040647   |   0.0 |  0.30
Output  | 4.4329e-05 | 4.4329e-05 | 4.4329e-05 |   0.0 |  0.00
Modify  | 0.13805    | 0.13805    | 0.13805    |   0.0 |  1.02
Other   |            | 0.02093    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5515.00 ave        5515 max        5515 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349710.0 ave      349710 max      349710 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349710
Ave neighs/atom = 174.85500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.704720823632, Press = -0.0841677493949596
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   94000   -8192.8739   -8192.8739   -8267.8625   -8267.8625    290.21352    290.21352    22291.335    22291.335   -1521.0724   -1521.0724 
   95000   -8195.2774   -8195.2774   -8269.0909   -8269.0909    285.66583    285.66583    22281.848    22281.848   -1960.7856   -1960.7856 
Loop time of 13.5047 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.398 ns/day, 3.751 hours/ns, 74.048 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.305     | 13.305     | 13.305     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040959   | 0.040959   | 0.040959   |   0.0 |  0.30
Output  | 5.8187e-05 | 5.8187e-05 | 5.8187e-05 |   0.0 |  0.00
Modify  | 0.13792    | 0.13792    | 0.13792    |   0.0 |  1.02
Other   |            | 0.0209     |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5512.00 ave        5512 max        5512 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349442.0 ave      349442 max      349442 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349442
Ave neighs/atom = 174.72100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.705086556616, Press = -0.520197566416484
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   95000   -8195.2774   -8195.2774   -8269.0909   -8269.0909    285.66583    285.66583    22281.848    22281.848   -1960.7856   -1960.7856 
   96000   -8192.0017   -8192.0017   -8268.3911   -8268.3911    295.63465    295.63465    22298.131    22298.131   -2300.3463   -2300.3463 
Loop time of 13.4805 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.409 ns/day, 3.745 hours/ns, 74.181 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.281     | 13.281     | 13.281     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040656   | 0.040656   | 0.040656   |   0.0 |  0.30
Output  | 4.3475e-05 | 4.3475e-05 | 4.3475e-05 |   0.0 |  0.00
Modify  | 0.13771    | 0.13771    | 0.13771    |   0.0 |  1.02
Other   |            | 0.02072    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5515.00 ave        5515 max        5515 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      348976.0 ave      348976 max      348976 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348976
Ave neighs/atom = 174.48800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.671960094052, Press = -0.941409760423499
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   96000   -8192.0017   -8192.0017   -8268.3911   -8268.3911    295.63465    295.63465    22298.131    22298.131   -2300.3463   -2300.3463 
   97000   -8194.5866   -8194.5866   -8269.9958   -8269.9958    291.84153    291.84153    22253.709    22253.709    453.93269    453.93269 
Loop time of 13.472 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.413 ns/day, 3.742 hours/ns, 74.228 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.272     | 13.272     | 13.272     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041039   | 0.041039   | 0.041039   |   0.0 |  0.30
Output  | 4.2522e-05 | 4.2522e-05 | 4.2522e-05 |   0.0 |  0.00
Modify  | 0.13789    | 0.13789    | 0.13789    |   0.0 |  1.02
Other   |            | 0.02067    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5503.00 ave        5503 max        5503 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349130.0 ave      349130 max      349130 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349130
Ave neighs/atom = 174.56500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.678411408432, Press = -0.385462650741443
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   97000   -8194.5866   -8194.5866   -8269.9958   -8269.9958    291.84153    291.84153    22253.709    22253.709    453.93269    453.93269 
   98000   -8191.0985   -8191.0985   -8269.5492   -8269.5492     303.6121     303.6121    22258.469    22258.469    720.00435    720.00435 
Loop time of 13.484 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.408 ns/day, 3.746 hours/ns, 74.162 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.284     | 13.284     | 13.284     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040791   | 0.040791   | 0.040791   |   0.0 |  0.30
Output  | 4.815e-05  | 4.815e-05  | 4.815e-05  |   0.0 |  0.00
Modify  | 0.13803    | 0.13803    | 0.13803    |   0.0 |  1.02
Other   |            | 0.02075    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5530.00 ave        5530 max        5530 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349540.0 ave      349540 max      349540 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349540
Ave neighs/atom = 174.77000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.700888691162, Press = -0.33038681638083
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   98000   -8191.0985   -8191.0985   -8269.5492   -8269.5492     303.6121     303.6121    22258.469    22258.469    720.00435    720.00435 
   99000   -8192.2544   -8192.2544   -8268.0899   -8268.0899    293.49129    293.49129    22278.731    22278.731   -793.94505   -793.94505 
Loop time of 13.49 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.405 ns/day, 3.747 hours/ns, 74.129 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    | 13.29      | 13.29      | 13.29      |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040847   | 0.040847   | 0.040847   |   0.0 |  0.30
Output  | 5.7495e-05 | 5.7495e-05 | 5.7495e-05 |   0.0 |  0.00
Modify  | 0.13796    | 0.13796    | 0.13796    |   0.0 |  1.02
Other   |            | 0.0209     |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5501.00 ave        5501 max        5501 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349672.0 ave      349672 max      349672 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349672
Ave neighs/atom = 174.83600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.70186223558, Press = -0.208417681733191
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   99000   -8192.2544   -8192.2544   -8268.0899   -8268.0899    293.49129    293.49129    22278.731    22278.731   -793.94505   -793.94505 
  100000   -8191.8534   -8191.8534   -8268.6177   -8268.6177     297.0856     297.0856    22285.107    22285.107   -1118.8621   -1118.8621 
Loop time of 13.4709 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.414 ns/day, 3.742 hours/ns, 74.234 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.272     | 13.272     | 13.272     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040861   | 0.040861   | 0.040861   |   0.0 |  0.30
Output  | 4.2974e-05 | 4.2974e-05 | 4.2974e-05 |   0.0 |  0.00
Modify  | 0.13777    | 0.13777    | 0.13777    |   0.0 |  1.02
Other   |            | 0.02066    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5501.00 ave        5501 max        5501 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349510.0 ave      349510 max      349510 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349510
Ave neighs/atom = 174.75500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.704592558614, Press = -0.587821171072452
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  100000   -8191.8534   -8191.8534   -8268.6177   -8268.6177     297.0856     297.0856    22285.107    22285.107   -1118.8621   -1118.8621 
  101000   -8189.3514   -8189.3514   -8266.9891   -8266.9891    300.46595    300.46595    22272.902    22272.902    170.22618    170.22618 
Loop time of 13.4929 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.403 ns/day, 3.748 hours/ns, 74.113 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.294     | 13.294     | 13.294     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040566   | 0.040566   | 0.040566   |   0.0 |  0.30
Output  | 4.232e-05  | 4.232e-05  | 4.232e-05  |   0.0 |  0.00
Modify  | 0.13763    | 0.13763    | 0.13763    |   0.0 |  1.02
Other   |            | 0.02072    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5521.00 ave        5521 max        5521 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349070.0 ave      349070 max      349070 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349070
Ave neighs/atom = 174.53500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.705646795313, Press = -0.848767468136611
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  101000   -8189.3514   -8189.3514   -8266.9891   -8266.9891    300.46595    300.46595    22272.902    22272.902    170.22618    170.22618 
  102000   -8195.0872   -8195.0872   -8269.1803   -8269.1803    286.74806    286.74806    22235.545    22235.545    1911.0831    1911.0831 
Loop time of 13.5003 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.400 ns/day, 3.750 hours/ns, 74.072 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.301     | 13.301     | 13.301     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040734   | 0.040734   | 0.040734   |   0.0 |  0.30
Output  | 4.2915e-05 | 4.2915e-05 | 4.2915e-05 |   0.0 |  0.00
Modify  | 0.1381     | 0.1381     | 0.1381     |   0.0 |  1.02
Other   |            | 0.02085    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5509.00 ave        5509 max        5509 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349448.0 ave      349448 max      349448 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349448
Ave neighs/atom = 174.72400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.731223235088, Press = -0.784832562520023
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  102000   -8195.0872   -8195.0872   -8269.1803   -8269.1803    286.74806    286.74806    22235.545    22235.545    1911.0831    1911.0831 
  103000   -8191.9936   -8191.9936   -8267.8003   -8267.8003    293.37991    293.37991    22250.719    22250.719    2097.8831    2097.8831 
Loop time of 13.495 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.402 ns/day, 3.749 hours/ns, 74.102 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.295     | 13.295     | 13.295     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040881   | 0.040881   | 0.040881   |   0.0 |  0.30
Output  | 4.5383e-05 | 4.5383e-05 | 4.5383e-05 |   0.0 |  0.00
Modify  | 0.13834    | 0.13834    | 0.13834    |   0.0 |  1.03
Other   |            | 0.02107    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5522.00 ave        5522 max        5522 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349804.0 ave      349804 max      349804 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349804
Ave neighs/atom = 174.90200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.757818644565, Press = -0.457409319212437
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  103000   -8191.9936   -8191.9936   -8267.8003   -8267.8003    293.37991    293.37991    22250.719    22250.719    2097.8831    2097.8831 
  104000    -8191.687    -8191.687   -8268.5102   -8268.5102    297.31384    297.31384    22237.253    22237.253    2116.1817    2116.1817 
Loop time of 13.5312 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.385 ns/day, 3.759 hours/ns, 73.903 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.331     | 13.331     | 13.331     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040836   | 0.040836   | 0.040836   |   0.0 |  0.30
Output  | 5.7636e-05 | 5.7636e-05 | 5.7636e-05 |   0.0 |  0.00
Modify  | 0.13843    | 0.13843    | 0.13843    |   0.0 |  1.02
Other   |            | 0.02097    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5510.00 ave        5510 max        5510 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349826.0 ave      349826 max      349826 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349826
Ave neighs/atom = 174.91300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.775183039439, Press = 0.0316329266921136
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  104000    -8191.687    -8191.687   -8268.5102   -8268.5102    297.31384    297.31384    22237.253    22237.253    2116.1817    2116.1817 
  105000   -8196.5698   -8196.5698   -8269.9285   -8269.9285    283.90584    283.90584    22253.871    22253.871    691.68621    691.68621 
Loop time of 13.5003 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.400 ns/day, 3.750 hours/ns, 74.072 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.301     | 13.301     | 13.301     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040572   | 0.040572   | 0.040572   |   0.0 |  0.30
Output  | 4.2885e-05 | 4.2885e-05 | 4.2885e-05 |   0.0 |  0.00
Modify  | 0.13793    | 0.13793    | 0.13793    |   0.0 |  1.02
Other   |            | 0.02081    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5511.00 ave        5511 max        5511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349766.0 ave      349766 max      349766 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349766
Ave neighs/atom = 174.88300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.782027246821, Press = 0.104015865393222
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  105000   -8196.5698   -8196.5698   -8269.9285   -8269.9285    283.90584    283.90584    22253.871    22253.871    691.68621    691.68621 
  106000   -8193.0302   -8193.0302    -8268.559    -8268.559    292.30433    292.30433    22285.264    22285.264   -1577.4688   -1577.4688 
Loop time of 13.5307 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.385 ns/day, 3.759 hours/ns, 73.906 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.331     | 13.331     | 13.331     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040863   | 0.040863   | 0.040863   |   0.0 |  0.30
Output  | 4.2834e-05 | 4.2834e-05 | 4.2834e-05 |   0.0 |  0.00
Modify  | 0.13815    | 0.13815    | 0.13815    |   0.0 |  1.02
Other   |            | 0.02078    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5507.00 ave        5507 max        5507 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349962.0 ave      349962 max      349962 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349962
Ave neighs/atom = 174.98100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.776039811908, Press = 0.607936501461145
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  106000   -8193.0302   -8193.0302    -8268.559    -8268.559    292.30433    292.30433    22285.264    22285.264   -1577.4688   -1577.4688 
  107000   -8194.1731   -8194.1731   -8268.9894   -8268.9894    289.54702    289.54702    22276.927    22276.927   -1171.1041   -1171.1041 
Loop time of 13.5107 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.395 ns/day, 3.753 hours/ns, 74.016 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.311     | 13.311     | 13.311     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040604   | 0.040604   | 0.040604   |   0.0 |  0.30
Output  | 4.2613e-05 | 4.2613e-05 | 4.2613e-05 |   0.0 |  0.00
Modify  | 0.1379     | 0.1379     | 0.1379     |   0.0 |  1.02
Other   |            | 0.0208     |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5501.00 ave        5501 max        5501 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349068.0 ave      349068 max      349068 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349068
Ave neighs/atom = 174.53400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.749373655584, Press = 0.0710443344374238
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  107000   -8194.1731   -8194.1731   -8268.9894   -8268.9894    289.54702    289.54702    22276.927    22276.927   -1171.1041   -1171.1041 
  108000   -8195.0889   -8195.0889   -8271.0714   -8271.0714    294.06006    294.06006    22286.088    22286.088   -2619.6492   -2619.6492 
Loop time of 13.4993 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.400 ns/day, 3.750 hours/ns, 74.078 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    | 13.299     | 13.299     | 13.299     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040739   | 0.040739   | 0.040739   |   0.0 |  0.30
Output  | 5.72e-05   | 5.72e-05   | 5.72e-05   |   0.0 |  0.00
Modify  | 0.13825    | 0.13825    | 0.13825    |   0.0 |  1.02
Other   |            | 0.02092    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5511.00 ave        5511 max        5511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349518.0 ave      349518 max      349518 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349518
Ave neighs/atom = 174.75900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.747298982006, Press = -0.729311218844266
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  108000   -8195.0889   -8195.0889   -8271.0714   -8271.0714    294.06006    294.06006    22286.088    22286.088   -2619.6492   -2619.6492 
  109000   -8191.5311   -8191.5311   -8267.9418   -8267.9418    295.71731    295.71731    22294.156    22294.156   -2104.9311   -2104.9311 
Loop time of 13.5089 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.396 ns/day, 3.752 hours/ns, 74.025 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.309     | 13.309     | 13.309     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040886   | 0.040886   | 0.040886   |   0.0 |  0.30
Output  | 4.3211e-05 | 4.3211e-05 | 4.3211e-05 |   0.0 |  0.00
Modify  | 0.13814    | 0.13814    | 0.13814    |   0.0 |  1.02
Other   |            | 0.02093    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5509.00 ave        5509 max        5509 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349406.0 ave      349406 max      349406 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349406
Ave neighs/atom = 174.70300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.761011839302, Press = -0.422022466223039
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  109000   -8191.5311   -8191.5311   -8267.9418   -8267.9418    295.71731    295.71731    22294.156    22294.156   -2104.9311   -2104.9311 
  110000     -8193.76     -8193.76   -8269.4207   -8269.4207    292.81435    292.81435    22289.129    22289.129   -2045.2775   -2045.2775 
Loop time of 13.5194 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.391 ns/day, 3.755 hours/ns, 73.968 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.319     | 13.319     | 13.319     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041136   | 0.041136   | 0.041136   |   0.0 |  0.30
Output  | 4.2562e-05 | 4.2562e-05 | 4.2562e-05 |   0.0 |  0.00
Modify  | 0.13816    | 0.13816    | 0.13816    |   0.0 |  1.02
Other   |            | 0.02096    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5508.00 ave        5508 max        5508 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349058.0 ave      349058 max      349058 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349058
Ave neighs/atom = 174.52900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.768888260845, Press = -0.308413441094853
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  110000     -8193.76     -8193.76   -8269.4207   -8269.4207    292.81435    292.81435    22289.129    22289.129   -2045.2775   -2045.2775 
  111000   -8192.6582   -8192.6582   -8269.4612   -8269.4612    297.23588    297.23588    22258.935    22258.935   -42.314863   -42.314863 
Loop time of 13.4978 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.401 ns/day, 3.749 hours/ns, 74.086 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    | 13.298     | 13.298     | 13.298     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040715   | 0.040715   | 0.040715   |   0.0 |  0.30
Output  | 4.2207e-05 | 4.2207e-05 | 4.2207e-05 |   0.0 |  0.00
Modify  | 0.13808    | 0.13808    | 0.13808    |   0.0 |  1.02
Other   |            | 0.02101    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5525.00 ave        5525 max        5525 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349356.0 ave      349356 max      349356 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349356
Ave neighs/atom = 174.67800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.766458369494, Press = -0.921038294345006
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  111000   -8192.6582   -8192.6582   -8269.4612   -8269.4612    297.23588    297.23588    22258.935    22258.935   -42.314863   -42.314863 
  112000   -8189.8777   -8189.8777   -8266.6794   -8266.6794    297.23063    297.23063    22259.744    22259.744    915.98446    915.98446 
Loop time of 13.519 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.391 ns/day, 3.755 hours/ns, 73.970 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.318     | 13.318     | 13.318     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041268   | 0.041268   | 0.041268   |   0.0 |  0.31
Output  | 5.4728e-05 | 5.4728e-05 | 5.4728e-05 |   0.0 |  0.00
Modify  | 0.13828    | 0.13828    | 0.13828    |   0.0 |  1.02
Other   |            | 0.02091    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5507.00 ave        5507 max        5507 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349596.0 ave      349596 max      349596 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349596
Ave neighs/atom = 174.79800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.772864988974, Press = -0.968129252456845
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  112000   -8189.8777   -8189.8777   -8266.6794   -8266.6794    297.23063    297.23063    22259.744    22259.744    915.98446    915.98446 
  113000   -8193.7819   -8193.7819   -8268.6815   -8268.6815    289.86927    289.86927    22253.353    22253.353    1098.2201    1098.2201 
Loop time of 13.4914 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.404 ns/day, 3.748 hours/ns, 74.122 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.292     | 13.292     | 13.292     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040931   | 0.040931   | 0.040931   |   0.0 |  0.30
Output  | 4.2265e-05 | 4.2265e-05 | 4.2265e-05 |   0.0 |  0.00
Modify  | 0.13778    | 0.13778    | 0.13778    |   0.0 |  1.02
Other   |            | 0.02089    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5511.00 ave        5511 max        5511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349404.0 ave      349404 max      349404 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349404
Ave neighs/atom = 174.70200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.792390032155, Press = -0.437599267844155
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  113000   -8193.7819   -8193.7819   -8268.6815   -8268.6815    289.86927    289.86927    22253.353    22253.353    1098.2201    1098.2201 
  114000   -8196.6385   -8196.6385   -8271.1682   -8271.1682     288.4377     288.4377    22246.794    22246.794    837.76715    837.76715 
Loop time of 13.5125 on 1 procs for 1000 steps with 2000 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.313     | 13.313     | 13.313     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040914   | 0.040914   | 0.040914   |   0.0 |  0.30
Output  | 4.1934e-05 | 4.1934e-05 | 4.1934e-05 |   0.0 |  0.00
Modify  | 0.13815    | 0.13815    | 0.13815    |   0.0 |  1.02
Other   |            | 0.02088    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5511.00 ave        5511 max        5511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349708.0 ave      349708 max      349708 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349708
Ave neighs/atom = 174.85400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.803942452133, Press = -0.534509234617092
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  114000   -8196.6385   -8196.6385   -8271.1682   -8271.1682     288.4377     288.4377    22246.794    22246.794    837.76715    837.76715 
  115000    -8192.276    -8192.276   -8268.1751   -8268.1751     293.7376     293.7376    22260.017    22260.017    1292.6154    1292.6154 
Loop time of 13.4935 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.403 ns/day, 3.748 hours/ns, 74.110 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.294     | 13.294     | 13.294     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040653   | 0.040653   | 0.040653   |   0.0 |  0.30
Output  | 4.2184e-05 | 4.2184e-05 | 4.2184e-05 |   0.0 |  0.00
Modify  | 0.13787    | 0.13787    | 0.13787    |   0.0 |  1.02
Other   |            | 0.02085    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5510.00 ave        5510 max        5510 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349466.0 ave      349466 max      349466 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349466
Ave neighs/atom = 174.73300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.788631806552, Press = -0.302104645874824
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  115000    -8192.276    -8192.276   -8268.1751   -8268.1751     293.7376     293.7376    22260.017    22260.017    1292.6154    1292.6154 
  116000   -8193.8338   -8193.8338   -8269.3763   -8269.3763    292.35723    292.35723     22218.68     22218.68    3229.0762    3229.0762 
Loop time of 13.52 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.391 ns/day, 3.756 hours/ns, 73.964 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.32      | 13.32      | 13.32      |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041173   | 0.041173   | 0.041173   |   0.0 |  0.30
Output  | 4.2721e-05 | 4.2721e-05 | 4.2721e-05 |   0.0 |  0.00
Modify  | 0.13801    | 0.13801    | 0.13801    |   0.0 |  1.02
Other   |            | 0.0209     |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5508.00 ave        5508 max        5508 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350134.0 ave      350134 max      350134 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350134
Ave neighs/atom = 175.06700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.796581679492, Press = -0.476893762950529
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  116000   -8193.8338   -8193.8338   -8269.3763   -8269.3763    292.35723    292.35723     22218.68     22218.68    3229.0762    3229.0762 
  117000    -8189.671    -8189.671    -8267.989    -8267.989    303.09871    303.09871    22248.316    22248.316    2250.1085    2250.1085 
Loop time of 13.5258 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.388 ns/day, 3.757 hours/ns, 73.933 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.326     | 13.326     | 13.326     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04102    | 0.04102    | 0.04102    |   0.0 |  0.30
Output  | 5.7467e-05 | 5.7467e-05 | 5.7467e-05 |   0.0 |  0.00
Modify  | 0.13811    | 0.13811    | 0.13811    |   0.0 |  1.02
Other   |            | 0.0208     |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5517.00 ave        5517 max        5517 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350284.0 ave      350284 max      350284 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350284
Ave neighs/atom = 175.14200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.821636341098, Press = 0.101829899823453
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  117000    -8189.671    -8189.671    -8267.989    -8267.989    303.09871    303.09871    22248.316    22248.316    2250.1085    2250.1085 
  118000    -8193.014    -8193.014   -8270.1846   -8270.1846    298.65818    298.65818    22255.148    22255.148    176.17041    176.17041 
Loop time of 13.5101 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.395 ns/day, 3.753 hours/ns, 74.019 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.311     | 13.311     | 13.311     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04071    | 0.04071    | 0.04071    |   0.0 |  0.30
Output  | 4.2827e-05 | 4.2827e-05 | 4.2827e-05 |   0.0 |  0.00
Modify  | 0.13799    | 0.13799    | 0.13799    |   0.0 |  1.02
Other   |            | 0.02077    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5496.00 ave        5496 max        5496 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349872.0 ave      349872 max      349872 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349872
Ave neighs/atom = 174.93600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.824118666107, Press = 0.191115830509198
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  118000    -8193.014    -8193.014   -8270.1846   -8270.1846    298.65818    298.65818    22255.148    22255.148    176.17041    176.17041 
  119000   -8192.5072   -8192.5072   -8270.2923   -8270.2923    301.03641    301.03641     22276.34     22276.34   -1562.6596   -1562.6596 
Loop time of 13.5071 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.397 ns/day, 3.752 hours/ns, 74.035 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    | 13.307     | 13.307     | 13.307     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040927   | 0.040927   | 0.040927   |   0.0 |  0.30
Output  | 4.2922e-05 | 4.2922e-05 | 4.2922e-05 |   0.0 |  0.00
Modify  | 0.13818    | 0.13818    | 0.13818    |   0.0 |  1.02
Other   |            | 0.02084    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5506.00 ave        5506 max        5506 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349832.0 ave      349832 max      349832 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349832
Ave neighs/atom = 174.91600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.839940603234, Press = -0.390418059576304
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  119000   -8192.5072   -8192.5072   -8270.2923   -8270.2923    301.03641    301.03641     22276.34     22276.34   -1562.6596   -1562.6596 
  120000   -8192.2751   -8192.2751   -8268.4918   -8268.4918    294.96671    294.96671    22269.385    22269.385    207.26243    207.26243 
Loop time of 13.5041 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.398 ns/day, 3.751 hours/ns, 74.052 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.304     | 13.304     | 13.304     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040803   | 0.040803   | 0.040803   |   0.0 |  0.30
Output  | 4.2538e-05 | 4.2538e-05 | 4.2538e-05 |   0.0 |  0.00
Modify  | 0.13834    | 0.13834    | 0.13834    |   0.0 |  1.02
Other   |            | 0.021      |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5519.00 ave        5519 max        5519 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349310.0 ave      349310 max      349310 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349310
Ave neighs/atom = 174.65500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.82952013253, Press = -0.248406864047312
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  120000   -8192.2751   -8192.2751   -8268.4918   -8268.4918    294.96671    294.96671    22269.385    22269.385    207.26243    207.26243 
  121000    -8196.373    -8196.373   -8269.4786   -8269.4786    282.92632    282.92632    22278.849    22278.849   -1570.7259   -1570.7259 
Loop time of 13.5031 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.399 ns/day, 3.751 hours/ns, 74.057 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.303     | 13.303     | 13.303     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040967   | 0.040967   | 0.040967   |   0.0 |  0.30
Output  | 5.726e-05  | 5.726e-05  | 5.726e-05  |   0.0 |  0.00
Modify  | 0.1384     | 0.1384     | 0.1384     |   0.0 |  1.02
Other   |            | 0.02091    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5495.00 ave        5495 max        5495 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349552.0 ave      349552 max      349552 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349552
Ave neighs/atom = 174.77600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.81330047752, Press = 0.276850304392708
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  121000    -8196.373    -8196.373   -8269.4786   -8269.4786    282.92632    282.92632    22278.849    22278.849   -1570.7259   -1570.7259 
  122000   -8194.2928   -8194.2928   -8268.4734   -8268.4734    287.08672    287.08672    22311.168    22311.168   -4038.2008   -4038.2008 
Loop time of 13.4901 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.405 ns/day, 3.747 hours/ns, 74.128 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    | 13.29      | 13.29      | 13.29      |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040802   | 0.040802   | 0.040802   |   0.0 |  0.30
Output  | 4.3578e-05 | 4.3578e-05 | 4.3578e-05 |   0.0 |  0.00
Modify  | 0.13826    | 0.13826    | 0.13826    |   0.0 |  1.02
Other   |            | 0.02102    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5525.00 ave        5525 max        5525 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349472.0 ave      349472 max      349472 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349472
Ave neighs/atom = 174.73600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.823148618877, Press = -0.228331431488197
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  122000   -8194.2928   -8194.2928   -8268.4734   -8268.4734    287.08672    287.08672    22311.168    22311.168   -4038.2008   -4038.2008 
  123000   -8193.8851   -8193.8851   -8266.6427   -8266.6427    281.57955    281.57955    22293.299    22293.299   -1193.8471   -1193.8471 
Loop time of 13.5066 on 1 procs for 1000 steps with 2000 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.306     | 13.306     | 13.306     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041065   | 0.041065   | 0.041065   |   0.0 |  0.30
Output  | 4.249e-05  | 4.249e-05  | 4.249e-05  |   0.0 |  0.00
Modify  | 0.13841    | 0.13841    | 0.13841    |   0.0 |  1.02
Other   |            | 0.021      |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5516.00 ave        5516 max        5516 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      348992.0 ave      348992 max      348992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348992
Ave neighs/atom = 174.49600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.821412651104, Press = -0.398039269073016
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  123000   -8193.8851   -8193.8851   -8266.6427   -8266.6427    281.57955    281.57955    22293.299    22293.299   -1193.8471   -1193.8471 
  124000    -8192.431    -8192.431   -8268.9197   -8268.9197    296.01897    296.01897    22272.559    22272.559   -1034.8375   -1034.8375 
Loop time of 13.4996 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.400 ns/day, 3.750 hours/ns, 74.076 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.299     | 13.299     | 13.299     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040642   | 0.040642   | 0.040642   |   0.0 |  0.30
Output  | 4.2593e-05 | 4.2593e-05 | 4.2593e-05 |   0.0 |  0.00
Modify  | 0.13845    | 0.13845    | 0.13845    |   0.0 |  1.03
Other   |            | 0.02103    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5491.00 ave        5491 max        5491 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349278.0 ave      349278 max      349278 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349278
Ave neighs/atom = 174.63900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.800854383034, Press = -0.576960260499655
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  124000    -8192.431    -8192.431   -8268.9197   -8268.9197    296.01897    296.01897    22272.559    22272.559   -1034.8375   -1034.8375 
  125000   -8192.7645   -8192.7645   -8267.1157   -8267.1157    287.74705    287.74705    22252.247    22252.247    1906.4004    1906.4004 
Loop time of 13.5159 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.392 ns/day, 3.754 hours/ns, 73.987 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.316     | 13.316     | 13.316     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04073    | 0.04073    | 0.04073    |   0.0 |  0.30
Output  | 4.2214e-05 | 4.2214e-05 | 4.2214e-05 |   0.0 |  0.00
Modify  | 0.13832    | 0.13832    | 0.13832    |   0.0 |  1.02
Other   |            | 0.02106    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5523.00 ave        5523 max        5523 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349252.0 ave      349252 max      349252 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349252
Ave neighs/atom = 174.62600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.788505380717, Press = -0.688714977597886
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  125000   -8192.7645   -8192.7645   -8267.1157   -8267.1157    287.74705    287.74705    22252.247    22252.247    1906.4004    1906.4004 
  126000    -8190.283    -8190.283   -8266.8947   -8266.8947    296.49531    296.49531    22261.346    22261.346    804.48449    804.48449 
Loop time of 13.5141 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.393 ns/day, 3.754 hours/ns, 73.997 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.314     | 13.314     | 13.314     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040687   | 0.040687   | 0.040687   |   0.0 |  0.30
Output  | 5.7515e-05 | 5.7515e-05 | 5.7515e-05 |   0.0 |  0.00
Modify  | 0.13844    | 0.13844    | 0.13844    |   0.0 |  1.02
Other   |            | 0.021      |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5509.00 ave        5509 max        5509 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350052.0 ave      350052 max      350052 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350052
Ave neighs/atom = 175.02600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.786998681984, Press = -0.52314182173778
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  126000    -8190.283    -8190.283   -8266.8947   -8266.8947    296.49531    296.49531    22261.346    22261.346    804.48449    804.48449 
  127000   -8194.7649   -8194.7649   -8270.0659   -8270.0659    291.42262    291.42262    22235.515    22235.515    2183.6733    2183.6733 
Loop time of 13.5102 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.395 ns/day, 3.753 hours/ns, 74.018 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.31      | 13.31      | 13.31      |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040787   | 0.040787   | 0.040787   |   0.0 |  0.30
Output  | 4.2498e-05 | 4.2498e-05 | 4.2498e-05 |   0.0 |  0.00
Modify  | 0.13832    | 0.13832    | 0.13832    |   0.0 |  1.02
Other   |            | 0.021      |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5497.00 ave        5497 max        5497 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349256.0 ave      349256 max      349256 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349256
Ave neighs/atom = 174.62800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.787656860683, Press = -0.499870172532933
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  127000   -8194.7649   -8194.7649   -8270.0659   -8270.0659    291.42262    291.42262    22235.515    22235.515    2183.6733    2183.6733 
  128000   -8192.5769   -8192.5769   -8269.6281   -8269.6281    298.19592    298.19592    22265.391    22265.391   -119.00896   -119.00896 
Loop time of 13.4991 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.400 ns/day, 3.750 hours/ns, 74.079 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    | 13.299     | 13.299     | 13.299     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040899   | 0.040899   | 0.040899   |   0.0 |  0.30
Output  | 4.2657e-05 | 4.2657e-05 | 4.2657e-05 |   0.0 |  0.00
Modify  | 0.13798    | 0.13798    | 0.13798    |   0.0 |  1.02
Other   |            | 0.02087    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5507.00 ave        5507 max        5507 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350036.0 ave      350036 max      350036 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350036
Ave neighs/atom = 175.01800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.79155567496, Press = -0.266806100698972
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  128000   -8192.5769   -8192.5769   -8269.6281   -8269.6281    298.19592    298.19592    22265.391    22265.391   -119.00896   -119.00896 
  129000   -8195.8536   -8195.8536   -8270.3372   -8270.3372     288.2592     288.2592    22244.596    22244.596      1022.83      1022.83 
Loop time of 13.5056 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.397 ns/day, 3.752 hours/ns, 74.043 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    | 13.306     | 13.306     | 13.306     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040626   | 0.040626   | 0.040626   |   0.0 |  0.30
Output  | 4.2684e-05 | 4.2684e-05 | 4.2684e-05 |   0.0 |  0.00
Modify  | 0.13801    | 0.13801    | 0.13801    |   0.0 |  1.02
Other   |            | 0.02089    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5530.00 ave        5530 max        5530 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349496.0 ave      349496 max      349496 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349496
Ave neighs/atom = 174.74800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.790468576676, Press = 0.289151862274457
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  129000   -8195.8536   -8195.8536   -8270.3372   -8270.3372     288.2592     288.2592    22244.596    22244.596      1022.83      1022.83 
  130000   -8191.2713   -8191.2713   -8269.3414   -8269.3414    302.13919    302.13919    22264.489    22264.489     513.3316     513.3316 
Loop time of 13.4892 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.405 ns/day, 3.747 hours/ns, 74.134 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.29      | 13.29      | 13.29      |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04063    | 0.04063    | 0.04063    |   0.0 |  0.30
Output  | 5.5695e-05 | 5.5695e-05 | 5.5695e-05 |   0.0 |  0.00
Modify  | 0.13792    | 0.13792    | 0.13792    |   0.0 |  1.02
Other   |            | 0.02081    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5513.00 ave        5513 max        5513 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349310.0 ave      349310 max      349310 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349310
Ave neighs/atom = 174.65500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.794133125044, Press = 0.295650414514708
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  130000   -8191.2713   -8191.2713   -8269.3414   -8269.3414    302.13919    302.13919    22264.489    22264.489     513.3316     513.3316 
  131000   -8193.2233   -8193.2233    -8269.459    -8269.459    295.04028    295.04028    22255.319    22255.319    518.46377    518.46377 
Loop time of 13.5099 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.395 ns/day, 3.753 hours/ns, 74.020 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.309     | 13.309     | 13.309     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041169   | 0.041169   | 0.041169   |   0.0 |  0.30
Output  | 4.243e-05  | 4.243e-05  | 4.243e-05  |   0.0 |  0.00
Modify  | 0.13825    | 0.13825    | 0.13825    |   0.0 |  1.02
Other   |            | 0.02102    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5513.00 ave        5513 max        5513 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349822.0 ave      349822 max      349822 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349822
Ave neighs/atom = 174.91100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.807449825973, Press = 0.0116226366531432
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  131000   -8193.2233   -8193.2233    -8269.459    -8269.459    295.04028    295.04028    22255.319    22255.319    518.46377    518.46377 
  132000   -8193.2692   -8193.2692   -8269.1789   -8269.1789    293.77808    293.77808    22257.832    22257.832    289.07537    289.07537 
Loop time of 13.5049 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.398 ns/day, 3.751 hours/ns, 74.047 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.305     | 13.305     | 13.305     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040806   | 0.040806   | 0.040806   |   0.0 |  0.30
Output  | 4.2287e-05 | 4.2287e-05 | 4.2287e-05 |   0.0 |  0.00
Modify  | 0.13837    | 0.13837    | 0.13837    |   0.0 |  1.02
Other   |            | 0.02095    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5507.00 ave        5507 max        5507 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349672.0 ave      349672 max      349672 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349672
Ave neighs/atom = 174.83600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.830012676459, Press = -0.244379212194701
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  132000   -8193.2692   -8193.2692   -8269.1789   -8269.1789    293.77808    293.77808    22257.832    22257.832    289.07537    289.07537 
  133000   -8190.9399   -8190.9399   -8268.0772   -8268.0772    298.52924    298.52924    22299.781    22299.781   -2714.2831   -2714.2831 
Loop time of 13.5039 on 1 procs for 1000 steps with 2000 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.304     | 13.304     | 13.304     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040626   | 0.040626   | 0.040626   |   0.0 |  0.30
Output  | 5.2761e-05 | 5.2761e-05 | 5.2761e-05 |   0.0 |  0.00
Modify  | 0.13827    | 0.13827    | 0.13827    |   0.0 |  1.02
Other   |            | 0.02099    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5504.00 ave        5504 max        5504 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349536.0 ave      349536 max      349536 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349536
Ave neighs/atom = 174.76800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.832349278734, Press = -0.306131035758282
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  133000   -8190.9399   -8190.9399   -8268.0772   -8268.0772    298.52924    298.52924    22299.781    22299.781   -2714.2831   -2714.2831 
  134000   -8196.2379   -8196.2379   -8269.3974   -8269.3974    283.13497    283.13497    22293.488    22293.488   -2598.1572   -2598.1572 
Loop time of 13.4983 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.401 ns/day, 3.750 hours/ns, 74.083 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.298     | 13.298     | 13.298     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041157   | 0.041157   | 0.041157   |   0.0 |  0.30
Output  | 4.2169e-05 | 4.2169e-05 | 4.2169e-05 |   0.0 |  0.00
Modify  | 0.13841    | 0.13841    | 0.13841    |   0.0 |  1.03
Other   |            | 0.0209     |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5508.00 ave        5508 max        5508 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349082.0 ave      349082 max      349082 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349082
Ave neighs/atom = 174.54100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.83335294823, Press = -0.697856895046591
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  134000   -8196.2379   -8196.2379   -8269.3974   -8269.3974    283.13497    283.13497    22293.488    22293.488   -2598.1572   -2598.1572 
  135000    -8191.994    -8191.994   -8270.6698   -8270.6698    304.48334    304.48334    22306.009    22306.009   -3627.1836   -3627.1836 
Loop time of 13.501 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.400 ns/day, 3.750 hours/ns, 74.069 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    | 13.301     | 13.301     | 13.301     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040845   | 0.040845   | 0.040845   |   0.0 |  0.30
Output  | 5.7586e-05 | 5.7586e-05 | 5.7586e-05 |   0.0 |  0.00
Modify  | 0.13811    | 0.13811    | 0.13811    |   0.0 |  1.02
Other   |            | 0.0208     |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5517.00 ave        5517 max        5517 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349040.0 ave      349040 max      349040 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349040
Ave neighs/atom = 174.52000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.819673264502, Press = -0.804652123540799
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  135000    -8191.994    -8191.994   -8270.6698   -8270.6698    304.48334    304.48334    22306.009    22306.009   -3627.1836   -3627.1836 
  136000   -8195.5776   -8195.5776   -8270.0914   -8270.0914    288.37617    288.37617    22252.344    22252.344    415.69819    415.69819 
Loop time of 13.493 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.403 ns/day, 3.748 hours/ns, 74.113 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.293     | 13.293     | 13.293     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040704   | 0.040704   | 0.040704   |   0.0 |  0.30
Output  | 4.8948e-05 | 4.8948e-05 | 4.8948e-05 |   0.0 |  0.00
Modify  | 0.13833    | 0.13833    | 0.13833    |   0.0 |  1.03
Other   |            | 0.02082    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5514.00 ave        5514 max        5514 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349134.0 ave      349134 max      349134 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349134
Ave neighs/atom = 174.56700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.80910939045, Press = -0.83338980545213
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  136000   -8195.5776   -8195.5776   -8270.0914   -8270.0914    288.37617    288.37617    22252.344    22252.344    415.69819    415.69819 
  137000   -8193.4945   -8193.4945   -8268.9484   -8268.9484    292.01443    292.01443    22235.409    22235.409    2273.9706    2273.9706 
Loop time of 13.5172 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.392 ns/day, 3.755 hours/ns, 73.980 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.318     | 13.318     | 13.318     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040763   | 0.040763   | 0.040763   |   0.0 |  0.30
Output  | 4.4006e-05 | 4.4006e-05 | 4.4006e-05 |   0.0 |  0.00
Modify  | 0.13795    | 0.13795    | 0.13795    |   0.0 |  1.02
Other   |            | 0.02068    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5513.00 ave        5513 max        5513 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349950.0 ave      349950 max      349950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349950
Ave neighs/atom = 174.97500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.828895573436, Press = -0.408880183580438
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  137000   -8193.4945   -8193.4945   -8268.9484   -8268.9484    292.01443    292.01443    22235.409    22235.409    2273.9706    2273.9706 
  138000   -8190.9968   -8190.9968   -8267.1605   -8267.1605    294.76161    294.76161    22254.751    22254.751    1748.4184    1748.4184 
Loop time of 13.5117 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.394 ns/day, 3.753 hours/ns, 74.010 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.313     | 13.313     | 13.313     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040702   | 0.040702   | 0.040702   |   0.0 |  0.30
Output  | 4.2677e-05 | 4.2677e-05 | 4.2677e-05 |   0.0 |  0.00
Modify  | 0.13772    | 0.13772    | 0.13772    |   0.0 |  1.02
Other   |            | 0.02072    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5539.00 ave        5539 max        5539 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349866.0 ave      349866 max      349866 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349866
Ave neighs/atom = 174.93300
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.839497813139, Press = 0.0138095853192206
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  138000   -8190.9968   -8190.9968   -8267.1605   -8267.1605    294.76161    294.76161    22254.751    22254.751    1748.4184    1748.4184 
  139000    -8194.745    -8194.745   -8268.7962   -8268.7962    286.58595    286.58595    22265.086    22265.086   -120.09828   -120.09828 
Loop time of 13.5077 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.396 ns/day, 3.752 hours/ns, 74.032 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.308     | 13.308     | 13.308     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040801   | 0.040801   | 0.040801   |   0.0 |  0.30
Output  | 5.8397e-05 | 5.8397e-05 | 5.8397e-05 |   0.0 |  0.00
Modify  | 0.13799    | 0.13799    | 0.13799    |   0.0 |  1.02
Other   |            | 0.02091    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5520.00 ave        5520 max        5520 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349230.0 ave      349230 max      349230 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349230
Ave neighs/atom = 174.61500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.844114459496, Press = 0.0698769982128789
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  139000    -8194.745    -8194.745   -8268.7962   -8268.7962    286.58595    286.58595    22265.086    22265.086   -120.09828   -120.09828 
  140000    -8191.361    -8191.361   -8267.2304   -8267.2304    293.62251    293.62251    22293.155    22293.155   -1426.3365   -1426.3365 
Loop time of 13.5062 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.397 ns/day, 3.752 hours/ns, 74.040 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    | 13.306     | 13.306     | 13.306     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040874   | 0.040874   | 0.040874   |   0.0 |  0.30
Output  | 4.2368e-05 | 4.2368e-05 | 4.2368e-05 |   0.0 |  0.00
Modify  | 0.13817    | 0.13817    | 0.13817    |   0.0 |  1.02
Other   |            | 0.02098    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5518.00 ave        5518 max        5518 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349338.0 ave      349338 max      349338 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349338
Ave neighs/atom = 174.66900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.833737885448, Press = -0.355807979577523
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  140000    -8191.361    -8191.361   -8267.2304   -8267.2304    293.62251    293.62251    22293.155    22293.155   -1426.3365   -1426.3365 
  141000   -8190.2804   -8190.2804   -8268.7083   -8268.7083     303.5238     303.5238    22293.548    22293.548     -2259.54     -2259.54 
Loop time of 13.503 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.399 ns/day, 3.751 hours/ns, 74.058 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.304     | 13.304     | 13.304     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040569   | 0.040569   | 0.040569   |   0.0 |  0.30
Output  | 4.2412e-05 | 4.2412e-05 | 4.2412e-05 |   0.0 |  0.00
Modify  | 0.13798    | 0.13798    | 0.13798    |   0.0 |  1.02
Other   |            | 0.02065    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5514.00 ave        5514 max        5514 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      348798.0 ave      348798 max      348798 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348798
Ave neighs/atom = 174.39900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.835357008251, Press = -0.489421107066578
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  141000   -8190.2804   -8190.2804   -8268.7083   -8268.7083     303.5238     303.5238    22293.548    22293.548     -2259.54     -2259.54 
  142000   -8194.0207   -8194.0207   -8268.9627   -8268.9627    290.03357    290.03357    22286.996    22286.996   -2104.1513   -2104.1513 
Loop time of 13.4875 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.406 ns/day, 3.747 hours/ns, 74.143 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.288     | 13.288     | 13.288     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040776   | 0.040776   | 0.040776   |   0.0 |  0.30
Output  | 4.2228e-05 | 4.2228e-05 | 4.2228e-05 |   0.0 |  0.00
Modify  | 0.13792    | 0.13792    | 0.13792    |   0.0 |  1.02
Other   |            | 0.02079    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5515.00 ave        5515 max        5515 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349022.0 ave      349022 max      349022 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349022
Ave neighs/atom = 174.51100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.855765308723, Press = -0.803920556923417
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  142000   -8194.0207   -8194.0207   -8268.9627   -8268.9627    290.03357    290.03357    22286.996    22286.996   -2104.1513   -2104.1513 
  143000   -8192.7116   -8192.7116     -8268.49     -8268.49    293.27024    293.27024    22265.083    22265.083   -305.48144   -305.48144 
Loop time of 13.4911 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.404 ns/day, 3.748 hours/ns, 74.123 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.291     | 13.291     | 13.291     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040721   | 0.040721   | 0.040721   |   0.0 |  0.30
Output  | 5.4547e-05 | 5.4547e-05 | 5.4547e-05 |   0.0 |  0.00
Modify  | 0.13847    | 0.13847    | 0.13847    |   0.0 |  1.03
Other   |            | 0.021      |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5510.00 ave        5510 max        5510 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349012.0 ave      349012 max      349012 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349012
Ave neighs/atom = 174.50600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.866091290058, Press = -1.323588429055
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  143000   -8192.7116   -8192.7116     -8268.49     -8268.49    293.27024    293.27024    22265.083    22265.083   -305.48144   -305.48144 
  144000   -8193.7648   -8193.7648   -8269.0564   -8269.0564    291.38654    291.38654    22249.155    22249.155     1260.622     1260.622 
Loop time of 13.5122 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.394 ns/day, 3.753 hours/ns, 74.007 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.312     | 13.312     | 13.312     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041112   | 0.041112   | 0.041112   |   0.0 |  0.30
Output  | 4.2702e-05 | 4.2702e-05 | 4.2702e-05 |   0.0 |  0.00
Modify  | 0.13792    | 0.13792    | 0.13792    |   0.0 |  1.02
Other   |            | 0.0208     |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5523.00 ave        5523 max        5523 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349568.0 ave      349568 max      349568 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349568
Ave neighs/atom = 174.78400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.869396809276, Press = -0.730076351681461
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  144000   -8193.7648   -8193.7648   -8269.0564   -8269.0564    291.38654    291.38654    22249.155    22249.155     1260.622     1260.622 
  145000   -8192.1328   -8192.1328   -8267.3976   -8267.3976    291.28272    291.28272    22255.133    22255.133    1565.6724    1565.6724 
Loop time of 13.5068 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.397 ns/day, 3.752 hours/ns, 74.037 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.308     | 13.308     | 13.308     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040755   | 0.040755   | 0.040755   |   0.0 |  0.30
Output  | 4.2591e-05 | 4.2591e-05 | 4.2591e-05 |   0.0 |  0.00
Modify  | 0.13772    | 0.13772    | 0.13772    |   0.0 |  1.02
Other   |            | 0.02074    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5538.00 ave        5538 max        5538 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349874.0 ave      349874 max      349874 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349874
Ave neighs/atom = 174.93700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.861347298148, Press = -0.338187647422534
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  145000   -8192.1328   -8192.1328   -8267.3976   -8267.3976    291.28272    291.28272    22255.133    22255.133    1565.6724    1565.6724 
  146000   -8193.0516   -8193.0516   -8268.5591   -8268.5591    292.22164    292.22164      22220.2      22220.2    3409.1255    3409.1255 
Loop time of 13.4963 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.402 ns/day, 3.749 hours/ns, 74.094 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.296     | 13.296     | 13.296     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040977   | 0.040977   | 0.040977   |   0.0 |  0.30
Output  | 4.4275e-05 | 4.4275e-05 | 4.4275e-05 |   0.0 |  0.00
Modify  | 0.13793    | 0.13793    | 0.13793    |   0.0 |  1.02
Other   |            | 0.02094    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5519.00 ave        5519 max        5519 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349788.0 ave      349788 max      349788 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349788
Ave neighs/atom = 174.89400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.849330594962, Press = -0.522217186126812
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  146000   -8193.0516   -8193.0516   -8268.5591   -8268.5591    292.22164    292.22164      22220.2      22220.2    3409.1255    3409.1255 
  147000   -8191.9241   -8191.9241   -8268.4728   -8268.4728    296.25118    296.25118    22218.998    22218.998    3670.5916    3670.5916 
Loop time of 13.52 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.391 ns/day, 3.756 hours/ns, 73.964 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.32      | 13.32      | 13.32      |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040961   | 0.040961   | 0.040961   |   0.0 |  0.30
Output  | 4.2516e-05 | 4.2516e-05 | 4.2516e-05 |   0.0 |  0.00
Modify  | 0.13796    | 0.13796    | 0.13796    |   0.0 |  1.02
Other   |            | 0.02091    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5513.00 ave        5513 max        5513 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350212.0 ave      350212 max      350212 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350212
Ave neighs/atom = 175.10600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.835215047472, Press = -0.263542063755771
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  147000   -8191.9241   -8191.9241   -8268.4728   -8268.4728    296.25118    296.25118    22218.998    22218.998    3670.5916    3670.5916 
  148000   -8195.5088   -8195.5088   -8268.7881   -8268.7881    283.59822    283.59822    22243.038    22243.038    1808.0424    1808.0424 
Loop time of 13.5091 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.396 ns/day, 3.753 hours/ns, 74.024 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.31      | 13.31      | 13.31      |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040517   | 0.040517   | 0.040517   |   0.0 |  0.30
Output  | 5.6883e-05 | 5.6883e-05 | 5.6883e-05 |   0.0 |  0.00
Modify  | 0.13814    | 0.13814    | 0.13814    |   0.0 |  1.02
Other   |            | 0.02083    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5518.00 ave        5518 max        5518 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350290.0 ave      350290 max      350290 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350290
Ave neighs/atom = 175.14500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.832220296385, Press = -0.0110783863167043
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  148000   -8195.5088   -8195.5088   -8268.7881   -8268.7881    283.59822    283.59822    22243.038    22243.038    1808.0424    1808.0424 
  149000   -8190.2904   -8190.2904   -8268.6233   -8268.6233    303.15671    303.15671    22282.983    22282.983   -1177.2513   -1177.2513 
Loop time of 13.5071 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.397 ns/day, 3.752 hours/ns, 74.035 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    | 13.307     | 13.307     | 13.307     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040626   | 0.040626   | 0.040626   |   0.0 |  0.30
Output  | 4.2104e-05 | 4.2104e-05 | 4.2104e-05 |   0.0 |  0.00
Modify  | 0.13847    | 0.13847    | 0.13847    |   0.0 |  1.03
Other   |            | 0.02097    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5521.00 ave        5521 max        5521 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349908.0 ave      349908 max      349908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349908
Ave neighs/atom = 174.95400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.831645966007, Press = -0.310871284021551
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  149000   -8190.2904   -8190.2904   -8268.6233   -8268.6233    303.15671    303.15671    22282.983    22282.983   -1177.2513   -1177.2513 
  150000   -8195.7798   -8195.7798   -8270.3356   -8270.3356    288.53854    288.53854    22291.845    22291.845    -2710.288    -2710.288 
Loop time of 13.4875 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.406 ns/day, 3.747 hours/ns, 74.143 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.287     | 13.287     | 13.287     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040619   | 0.040619   | 0.040619   |   0.0 |  0.30
Output  | 4.2313e-05 | 4.2313e-05 | 4.2313e-05 |   0.0 |  0.00
Modify  | 0.13829    | 0.13829    | 0.13829    |   0.0 |  1.03
Other   |            | 0.02103    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5510.00 ave        5510 max        5510 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349484.0 ave      349484 max      349484 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349484
Ave neighs/atom = 174.74200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.838578545927, Press = -0.802247266759613
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  150000   -8195.7798   -8195.7798   -8270.3356   -8270.3356    288.53854    288.53854    22291.845    22291.845    -2710.288    -2710.288 
  151000   -8191.4465   -8191.4465   -8268.7174   -8268.7174    299.04636    299.04636    22273.726    22273.726   -711.26065   -711.26065 
Loop time of 13.4861 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.407 ns/day, 3.746 hours/ns, 74.150 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.286     | 13.286     | 13.286     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041129   | 0.041129   | 0.041129   |   0.0 |  0.30
Output  | 4.2319e-05 | 4.2319e-05 | 4.2319e-05 |   0.0 |  0.00
Modify  | 0.13841    | 0.13841    | 0.13841    |   0.0 |  1.03
Other   |            | 0.02101    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5498.00 ave        5498 max        5498 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      348970.0 ave      348970 max      348970 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348970
Ave neighs/atom = 174.48500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.830139510142, Press = -0.605254984155784
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  151000   -8191.4465   -8191.4465   -8268.7174   -8268.7174    299.04636    299.04636    22273.726    22273.726   -711.26065   -711.26065 
  152000   -8197.4297   -8197.4297   -8268.5866   -8268.5866    275.38437    275.38437    22251.794    22251.794    1080.1358    1080.1358 
Loop time of 13.5058 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.397 ns/day, 3.752 hours/ns, 74.042 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.306     | 13.306     | 13.306     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040828   | 0.040828   | 0.040828   |   0.0 |  0.30
Output  | 5.7245e-05 | 5.7245e-05 | 5.7245e-05 |   0.0 |  0.00
Modify  | 0.13787    | 0.13787    | 0.13787    |   0.0 |  1.02
Other   |            | 0.02053    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5518.00 ave        5518 max        5518 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349318.0 ave      349318 max      349318 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349318
Ave neighs/atom = 174.65900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.815308769842, Press = -0.328903384156978
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  152000   -8197.4297   -8197.4297   -8268.5866   -8268.5866    275.38437    275.38437    22251.794    22251.794    1080.1358    1080.1358 
  153000   -8192.1454   -8192.1454   -8267.5752   -8267.5752    291.92123    291.92123     22275.75     22275.75   -129.46602   -129.46602 
Loop time of 13.4799 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.410 ns/day, 3.744 hours/ns, 74.185 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.281     | 13.281     | 13.281     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040693   | 0.040693   | 0.040693   |   0.0 |  0.30
Output  | 4.2365e-05 | 4.2365e-05 | 4.2365e-05 |   0.0 |  0.00
Modify  | 0.13776    | 0.13776    | 0.13776    |   0.0 |  1.02
Other   |            | 0.02065    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5521.00 ave        5521 max        5521 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349768.0 ave      349768 max      349768 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349768
Ave neighs/atom = 174.88400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.811387142586, Press = -0.234153961657301
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  153000   -8192.1454   -8192.1454   -8267.5752   -8267.5752    291.92123    291.92123     22275.75     22275.75   -129.46602   -129.46602 
  154000   -8192.0033   -8192.0033   -8267.1421   -8267.1421    290.79481    290.79481    22271.848    22271.848    168.20101    168.20101 
Loop time of 13.494 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.403 ns/day, 3.748 hours/ns, 74.107 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.295     | 13.295     | 13.295     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040648   | 0.040648   | 0.040648   |   0.0 |  0.30
Output  | 4.2291e-05 | 4.2291e-05 | 4.2291e-05 |   0.0 |  0.00
Modify  | 0.13777    | 0.13777    | 0.13777    |   0.0 |  1.02
Other   |            | 0.0208     |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5517.00 ave        5517 max        5517 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349184.0 ave      349184 max      349184 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349184
Ave neighs/atom = 174.59200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.814192231725, Press = -0.000282059670036924
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  154000   -8192.0033   -8192.0033   -8267.1421   -8267.1421    290.79481    290.79481    22271.848    22271.848    168.20101    168.20101 
  155000   -8193.8045   -8193.8045   -8270.0253   -8270.0253    294.98236    294.98236      22274.8      22274.8   -778.59582   -778.59582 
Loop time of 13.4918 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.404 ns/day, 3.748 hours/ns, 74.119 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    | 13.292     | 13.292     | 13.292     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040914   | 0.040914   | 0.040914   |   0.0 |  0.30
Output  | 4.2476e-05 | 4.2476e-05 | 4.2476e-05 |   0.0 |  0.00
Modify  | 0.13825    | 0.13825    | 0.13825    |   0.0 |  1.02
Other   |            | 0.02099    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5510.00 ave        5510 max        5510 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349408.0 ave      349408 max      349408 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349408
Ave neighs/atom = 174.70400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.835840658689, Press = 0.17202302118068
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  155000   -8193.8045   -8193.8045   -8270.0253   -8270.0253    294.98236    294.98236      22274.8      22274.8   -778.59582   -778.59582 
  156000   -8190.0849   -8190.0849   -8266.1757   -8266.1757    294.47946    294.47946    22303.561    22303.561   -2114.9763   -2114.9763 
Loop time of 13.5185 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.391 ns/day, 3.755 hours/ns, 73.973 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.319     | 13.319     | 13.319     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040843   | 0.040843   | 0.040843   |   0.0 |  0.30
Output  | 4.354e-05  | 4.354e-05  | 4.354e-05  |   0.0 |  0.00
Modify  | 0.13811    | 0.13811    | 0.13811    |   0.0 |  1.02
Other   |            | 0.02098    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5519.00 ave        5519 max        5519 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349736.0 ave      349736 max      349736 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349736
Ave neighs/atom = 174.86800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.848665327947, Press = 0.194890553060313
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  156000   -8190.0849   -8190.0849   -8266.1757   -8266.1757    294.47946    294.47946    22303.561    22303.561   -2114.9763   -2114.9763 
  157000   -8192.9416   -8192.9416   -8268.0196   -8268.0196    290.55982    290.55982     22310.86     22310.86   -3309.4523   -3309.4523 
Loop time of 13.5004 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.400 ns/day, 3.750 hours/ns, 74.072 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.3       | 13.3       | 13.3       |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040863   | 0.040863   | 0.040863   |   0.0 |  0.30
Output  | 5.8349e-05 | 5.8349e-05 | 5.8349e-05 |   0.0 |  0.00
Modify  | 0.1381     | 0.1381     | 0.1381     |   0.0 |  1.02
Other   |            | 0.021      |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5521.00 ave        5521 max        5521 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      348788.0 ave      348788 max      348788 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348788
Ave neighs/atom = 174.39400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.848218170085, Press = -0.159772216988343
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  157000   -8192.9416   -8192.9416   -8268.0196   -8268.0196    290.55982    290.55982     22310.86     22310.86   -3309.4523   -3309.4523 
  158000    -8195.605    -8195.605   -8269.5616   -8269.5616    286.21999    286.21999    22269.788    22269.788   -967.66742   -967.66742 
Loop time of 13.4993 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.400 ns/day, 3.750 hours/ns, 74.078 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    | 13.299     | 13.299     | 13.299     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041149   | 0.041149   | 0.041149   |   0.0 |  0.30
Output  | 4.2063e-05 | 4.2063e-05 | 4.2063e-05 |   0.0 |  0.00
Modify  | 0.13822    | 0.13822    | 0.13822    |   0.0 |  1.02
Other   |            | 0.02095    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5522.00 ave        5522 max        5522 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      348878.0 ave      348878 max      348878 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348878
Ave neighs/atom = 174.43900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.849912761895, Press = -0.300392332610887
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  158000    -8195.605    -8195.605   -8269.5616   -8269.5616    286.21999    286.21999    22269.788    22269.788   -967.66742   -967.66742 
  159000   -8188.7726   -8188.7726   -8267.5952   -8267.5952     305.0518     305.0518    22285.003    22285.003   -931.43656   -931.43656 
Loop time of 13.483 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.408 ns/day, 3.745 hours/ns, 74.168 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.283     | 13.283     | 13.283     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041247   | 0.041247   | 0.041247   |   0.0 |  0.31
Output  | 4.2613e-05 | 4.2613e-05 | 4.2613e-05 |   0.0 |  0.00
Modify  | 0.13813    | 0.13813    | 0.13813    |   0.0 |  1.02
Other   |            | 0.02092    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5514.00 ave        5514 max        5514 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349300.0 ave      349300 max      349300 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349300
Ave neighs/atom = 174.65000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.860691573918, Press = -0.887364205375157
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  159000   -8188.7726   -8188.7726   -8267.5952   -8267.5952     305.0518     305.0518    22285.003    22285.003   -931.43656   -931.43656 
  160000   -8194.7639   -8194.7639   -8270.1435   -8270.1435    291.72704    291.72704    22225.678    22225.678    2823.6232    2823.6232 
Loop time of 13.488 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.406 ns/day, 3.747 hours/ns, 74.140 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.288     | 13.288     | 13.288     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040782   | 0.040782   | 0.040782   |   0.0 |  0.30
Output  | 4.2671e-05 | 4.2671e-05 | 4.2671e-05 |   0.0 |  0.00
Modify  | 0.13822    | 0.13822    | 0.13822    |   0.0 |  1.02
Other   |            | 0.0209     |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5509.00 ave        5509 max        5509 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349676.0 ave      349676 max      349676 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349676
Ave neighs/atom = 174.83800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.870935250728, Press = -0.684158119141444
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  160000   -8194.7639   -8194.7639   -8270.1435   -8270.1435    291.72704    291.72704    22225.678    22225.678    2823.6232    2823.6232 
  161000   -8193.1209   -8193.1209   -8269.5313   -8269.5313     295.7163     295.7163    22250.264    22250.264      1383.19      1383.19 
Loop time of 13.531 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.385 ns/day, 3.759 hours/ns, 73.905 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.332     | 13.332     | 13.332     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040718   | 0.040718   | 0.040718   |   0.0 |  0.30
Output  | 5.8151e-05 | 5.8151e-05 | 5.8151e-05 |   0.0 |  0.00
Modify  | 0.1378     | 0.1378     | 0.1378     |   0.0 |  1.02
Other   |            | 0.02065    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5527.00 ave        5527 max        5527 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350260.0 ave      350260 max      350260 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350260
Ave neighs/atom = 175.13000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.882776209343, Press = -0.10967173555934
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  161000   -8193.1209   -8193.1209   -8269.5313   -8269.5313     295.7163     295.7163    22250.264    22250.264      1383.19      1383.19 
  162000   -8191.1641   -8191.1641   -8268.0249   -8268.0249    297.45916    297.45916    22259.649    22259.649    459.82442    459.82442 
Loop time of 13.5156 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.393 ns/day, 3.754 hours/ns, 73.989 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.316     | 13.316     | 13.316     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040619   | 0.040619   | 0.040619   |   0.0 |  0.30
Output  | 4.9398e-05 | 4.9398e-05 | 4.9398e-05 |   0.0 |  0.00
Modify  | 0.13806    | 0.13806    | 0.13806    |   0.0 |  1.02
Other   |            | 0.02061    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5507.00 ave        5507 max        5507 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349984.0 ave      349984 max      349984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349984
Ave neighs/atom = 174.99200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.893362320687, Press = -0.16725426717118
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  162000   -8191.1641   -8191.1641   -8268.0249   -8268.0249    297.45916    297.45916    22259.649    22259.649    459.82442    459.82442 
  163000   -8195.1184   -8195.1184   -8270.5523   -8270.5523    291.93723    291.93723    22261.819    22261.819   -415.60752   -415.60752 
Loop time of 13.5004 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.400 ns/day, 3.750 hours/ns, 74.072 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.301     | 13.301     | 13.301     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040727   | 0.040727   | 0.040727   |   0.0 |  0.30
Output  | 4.2154e-05 | 4.2154e-05 | 4.2154e-05 |   0.0 |  0.00
Modify  | 0.13793    | 0.13793    | 0.13793    |   0.0 |  1.02
Other   |            | 0.02083    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5523.00 ave        5523 max        5523 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349322.0 ave      349322 max      349322 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349322
Ave neighs/atom = 174.66100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.910806518485, Press = -0.23425656370014
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  163000   -8195.1184   -8195.1184   -8270.5523   -8270.5523    291.93723    291.93723    22261.819    22261.819   -415.60752   -415.60752 
  164000   -8194.4479   -8194.4479   -8269.8932   -8269.8932    291.98106    291.98106    22258.228    22258.228    204.24197    204.24197 
Loop time of 13.4976 on 1 procs for 1000 steps with 2000 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.298     | 13.298     | 13.298     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040723   | 0.040723   | 0.040723   |   0.0 |  0.30
Output  | 4.2762e-05 | 4.2762e-05 | 4.2762e-05 |   0.0 |  0.00
Modify  | 0.13831    | 0.13831    | 0.13831    |   0.0 |  1.02
Other   |            | 0.02082    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5519.00 ave        5519 max        5519 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349732.0 ave      349732 max      349732 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349732
Ave neighs/atom = 174.86600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.911320037158, Press = -0.434068415121858
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  164000   -8194.4479   -8194.4479   -8269.8932   -8269.8932    291.98106    291.98106    22258.228    22258.228    204.24197    204.24197 
  165000   -8193.4931   -8193.4931   -8269.9527   -8269.9527    295.90643    295.90643    22239.393    22239.393    1771.0057    1771.0057 
Loop time of 13.5185 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.391 ns/day, 3.755 hours/ns, 73.972 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.318     | 13.318     | 13.318     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040867   | 0.040867   | 0.040867   |   0.0 |  0.30
Output  | 4.2345e-05 | 4.2345e-05 | 4.2345e-05 |   0.0 |  0.00
Modify  | 0.13818    | 0.13818    | 0.13818    |   0.0 |  1.02
Other   |            | 0.02102    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5530.00 ave        5530 max        5530 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349856.0 ave      349856 max      349856 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349856
Ave neighs/atom = 174.92800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.912777642526, Press = -0.511679393236395
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  165000   -8193.4931   -8193.4931   -8269.9527   -8269.9527    295.90643    295.90643    22239.393    22239.393    1771.0057    1771.0057 
  166000   -8193.3695   -8193.3695   -8270.0071   -8270.0071    296.59554    296.59554    22231.101    22231.101    2870.7105    2870.7105 
Loop time of 13.5089 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.396 ns/day, 3.752 hours/ns, 74.025 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.309     | 13.309     | 13.309     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040827   | 0.040827   | 0.040827   |   0.0 |  0.30
Output  | 5.8214e-05 | 5.8214e-05 | 5.8214e-05 |   0.0 |  0.00
Modify  | 0.13831    | 0.13831    | 0.13831    |   0.0 |  1.02
Other   |            | 0.02081    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5532.00 ave        5532 max        5532 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349932.0 ave      349932 max      349932 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349932
Ave neighs/atom = 174.96600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.895854849313, Press = -0.147289746858783
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  166000   -8193.3695   -8193.3695   -8270.0071   -8270.0071    296.59554    296.59554    22231.101    22231.101    2870.7105    2870.7105 
  167000   -8192.5386   -8192.5386   -8269.8399   -8269.8399    299.16378    299.16378    22263.838    22263.838   -228.57876   -228.57876 
Loop time of 13.4939 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.403 ns/day, 3.748 hours/ns, 74.108 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.294     | 13.294     | 13.294     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040704   | 0.040704   | 0.040704   |   0.0 |  0.30
Output  | 4.1827e-05 | 4.1827e-05 | 4.1827e-05 |   0.0 |  0.00
Modify  | 0.13808    | 0.13808    | 0.13808    |   0.0 |  1.02
Other   |            | 0.02078    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5518.00 ave        5518 max        5518 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      350010.0 ave      350010 max      350010 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 350010
Ave neighs/atom = 175.00500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.900416832368, Press = -0.0561235452055639
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  167000   -8192.5386   -8192.5386   -8269.8399   -8269.8399    299.16378    299.16378    22263.838    22263.838   -228.57876   -228.57876 
  168000   -8193.8548   -8193.8548   -8271.6789   -8271.6789    301.18731    301.18731    22281.523    22281.523   -2419.7453   -2419.7453 
Loop time of 13.51 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.395 ns/day, 3.753 hours/ns, 74.019 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.31      | 13.31      | 13.31      |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040873   | 0.040873   | 0.040873   |   0.0 |  0.30
Output  | 4.2357e-05 | 4.2357e-05 | 4.2357e-05 |   0.0 |  0.00
Modify  | 0.13802    | 0.13802    | 0.13802    |   0.0 |  1.02
Other   |            | 0.02081    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5510.00 ave        5510 max        5510 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349564.0 ave      349564 max      349564 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349564
Ave neighs/atom = 174.78200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.882844979962, Press = 0.0115032028967381
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  168000   -8193.8548   -8193.8548   -8271.6789   -8271.6789    301.18731    301.18731    22281.523    22281.523   -2419.7453   -2419.7453 
  169000   -8193.4993   -8193.4993   -8267.3452   -8267.3452    285.79104    285.79104     22281.39     22281.39   -853.05389   -853.05389 
Loop time of 13.4843 on 1 procs for 1000 steps with 2000 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.285     | 13.285     | 13.285     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040751   | 0.040751   | 0.040751   |   0.0 |  0.30
Output  | 4.2935e-05 | 4.2935e-05 | 4.2935e-05 |   0.0 |  0.00
Modify  | 0.13811    | 0.13811    | 0.13811    |   0.0 |  1.02
Other   |            | 0.02073    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5503.00 ave        5503 max        5503 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349118.0 ave      349118 max      349118 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349118
Ave neighs/atom = 174.55900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.88595235433, Press = -0.249660795784816
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  169000   -8193.4993   -8193.4993   -8267.3452   -8267.3452    285.79104    285.79104     22281.39     22281.39   -853.05389   -853.05389 
  170000   -8194.3795   -8194.3795   -8268.4291   -8268.4291     286.5796     286.5796    22277.501    22277.501   -1111.5968   -1111.5968 
Loop time of 13.5248 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.388 ns/day, 3.757 hours/ns, 73.938 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.325     | 13.325     | 13.325     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040687   | 0.040687   | 0.040687   |   0.0 |  0.30
Output  | 5.5628e-05 | 5.5628e-05 | 5.5628e-05 |   0.0 |  0.00
Modify  | 0.13831    | 0.13831    | 0.13831    |   0.0 |  1.02
Other   |            | 0.02092    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5517.00 ave        5517 max        5517 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349310.0 ave      349310 max      349310 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349310
Ave neighs/atom = 174.65500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.89170666225, Press = -0.244456126346919
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  170000   -8194.3795   -8194.3795   -8268.4291   -8268.4291     286.5796     286.5796    22277.501    22277.501   -1111.5968   -1111.5968 
  171000   -8192.4998   -8192.4998   -8267.9918   -8267.9918    292.16169    292.16169    22310.855    22310.855   -3363.4925   -3363.4925 
Loop time of 13.5127 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.394 ns/day, 3.754 hours/ns, 74.004 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.312     | 13.312     | 13.312     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041035   | 0.041035   | 0.041035   |   0.0 |  0.30
Output  | 4.8467e-05 | 4.8467e-05 | 4.8467e-05 |   0.0 |  0.00
Modify  | 0.13839    | 0.13839    | 0.13839    |   0.0 |  1.02
Other   |            | 0.02094    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5521.00 ave        5521 max        5521 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349250.0 ave      349250 max      349250 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349250
Ave neighs/atom = 174.62500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.898690480634, Press = 0.137239466054375
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  171000   -8192.4998   -8192.4998   -8267.9918   -8267.9918    292.16169    292.16169    22310.855    22310.855   -3363.4925   -3363.4925 
  172000   -8191.0935   -8191.0935   -8267.2022   -8267.2022    294.54875    294.54875    22304.285    22304.285   -2504.4107   -2504.4107 
Loop time of 13.5017 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.399 ns/day, 3.750 hours/ns, 74.065 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.302     | 13.302     | 13.302     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040612   | 0.040612   | 0.040612   |   0.0 |  0.30
Output  | 4.2704e-05 | 4.2704e-05 | 4.2704e-05 |   0.0 |  0.00
Modify  | 0.13839    | 0.13839    | 0.13839    |   0.0 |  1.02
Other   |            | 0.02091    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5500.00 ave        5500 max        5500 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      348656.0 ave      348656 max      348656 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348656
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 = 292.916474143983, Press = -0.262035512541914
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  172000   -8191.0935   -8191.0935   -8267.2022   -8267.2022    294.54875    294.54875    22304.285    22304.285   -2504.4107   -2504.4107 
  173000   -8191.3365   -8191.3365   -8268.3203   -8268.3203    297.93559    297.93559    22288.708    22288.708   -1437.5718   -1437.5718 
Loop time of 13.5096 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.395 ns/day, 3.753 hours/ns, 74.022 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.309     | 13.309     | 13.309     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040867   | 0.040867   | 0.040867   |   0.0 |  0.30
Output  | 4.2444e-05 | 4.2444e-05 | 4.2444e-05 |   0.0 |  0.00
Modify  | 0.13825    | 0.13825    | 0.13825    |   0.0 |  1.02
Other   |            | 0.02098    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5524.00 ave        5524 max        5524 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      348774.0 ave      348774 max      348774 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 348774
Ave neighs/atom = 174.38700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.921322717099, Press = -0.618912124419446
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  173000   -8191.3365   -8191.3365   -8268.3203   -8268.3203    297.93559    297.93559    22288.708    22288.708   -1437.5718   -1437.5718 
  174000   -8194.6383   -8194.6383   -8269.1224   -8269.1224    288.26132    288.26132    22252.345    22252.345    880.26962    880.26962 
Loop time of 13.5035 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.398 ns/day, 3.751 hours/ns, 74.055 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.303     | 13.303     | 13.303     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040917   | 0.040917   | 0.040917   |   0.0 |  0.30
Output  | 5.4767e-05 | 5.4767e-05 | 5.4767e-05 |   0.0 |  0.00
Modify  | 0.13819    | 0.13819    | 0.13819    |   0.0 |  1.02
Other   |            | 0.02092    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5502.00 ave        5502 max        5502 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349182.0 ave      349182 max      349182 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349182
Ave neighs/atom = 174.59100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.940229551372, Press = -0.650614398121964
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  174000   -8194.6383   -8194.6383   -8269.1224   -8269.1224    288.26132    288.26132    22252.345    22252.345    880.26962    880.26962 
  175000   -8191.2019   -8191.2019    -8268.263    -8268.263    298.23412    298.23412    22259.943    22259.943    1021.3722    1021.3722 
Loop time of 13.5002 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.400 ns/day, 3.750 hours/ns, 74.073 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.3       | 13.3       | 13.3       |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040817   | 0.040817   | 0.040817   |   0.0 |  0.30
Output  | 4.285e-05  | 4.285e-05  | 4.285e-05  |   0.0 |  0.00
Modify  | 0.13811    | 0.13811    | 0.13811    |   0.0 |  1.02
Other   |            | 0.02094    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5503.00 ave        5503 max        5503 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349760.0 ave      349760 max      349760 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349760
Ave neighs/atom = 174.88000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.9423046872, Press = -0.250424054572139
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  175000   -8191.2019   -8191.2019    -8268.263    -8268.263    298.23412    298.23412    22259.943    22259.943    1021.3722    1021.3722 
  176000   -8193.2815   -8193.2815   -8270.7225   -8270.7225    299.70451    299.70451    22257.554    22257.554    65.138725    65.138725 
Loop time of 13.5097 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.395 ns/day, 3.753 hours/ns, 74.021 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.31      | 13.31      | 13.31      |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040728   | 0.040728   | 0.040728   |   0.0 |  0.30
Output  | 4.3135e-05 | 4.3135e-05 | 4.3135e-05 |   0.0 |  0.00
Modify  | 0.13819    | 0.13819    | 0.13819    |   0.0 |  1.02
Other   |            | 0.02094    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5523.00 ave        5523 max        5523 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349460.0 ave      349460 max      349460 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349460
Ave neighs/atom = 174.73000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.954833924696, Press = 0.345443608236453
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.578 | 4.578 | 4.578 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  176000   -8193.2815   -8193.2815   -8270.7225   -8270.7225    299.70451    299.70451    22257.554    22257.554    65.138725    65.138725 
  177000   -8191.2575   -8191.2575   -8267.3138   -8267.3138    294.34569    294.34569    22272.569    22272.569   -272.56627   -272.56627 
Loop time of 13.4905 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.404 ns/day, 3.747 hours/ns, 74.126 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.29      | 13.29      | 13.29      |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040819   | 0.040819   | 0.040819   |   0.0 |  0.30
Output  | 4.237e-05  | 4.237e-05  | 4.237e-05  |   0.0 |  0.00
Modify  | 0.13832    | 0.13832    | 0.13832    |   0.0 |  1.03
Other   |            | 0.021      |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5495.00 ave        5495 max        5495 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      349690.0 ave      349690 max      349690 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 349690
Ave neighs/atom = 174.84500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T293.15.out"  else  "print 'not_converged'  file output/vol_T293.15.out"
print '${V}'  file output/vol_T293.15.out
22265.1526388318

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0