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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 3.5564776659011836*${_u_distance}
variable latticeconst_converted equal 3.5564776659011836*1
lattice       diamond  ${latticeconst_converted}
lattice       diamond  3.55647766590118
Lattice spacing in x,y,z = 3.5564777 3.5564777 3.5564777
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (35.564777 35.564777 35.564777)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 8000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (35.564777 35.564777 35.564777)
  create_atoms CPU = 0.005 seconds

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

kim_interactions C

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

kim interactions C
#=== BEGIN kim interactions ==================================
pair_style kim MEAM_LAMMPS_LeeLee_2005_C__MO_996970420049_000
pair_coeff * * C
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 12.0107

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 44984.2265010191    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 44984.2265010191/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 44984.2265010191/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 44984.2265010191/(1*1*${_u_distance})
variable      V0_metal equal 44984.2265010191/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 44984.2265010191*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 44984.2265010191 Angstroms^3

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

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

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

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

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

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

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

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

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

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

Your simulation uses code contributions which should be cited:

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

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

- OpenKIM potential: https://openkim.org/cite/MO_996970420049_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 = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.652 | 8.652 | 8.652 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -58698.255   -58698.255       -58960       -58960       253.15       253.15    44984.227    44984.227    6214.9466    6214.9466 
    1000    -58413.98    -58413.98   -58673.076   -58673.076    250.58858    250.58858    45267.945    45267.945   -1354.3588   -1354.3588 
Loop time of 169.618 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.509 ns/day, 47.116 hours/ns, 5.896 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 167.85     | 167.85     | 167.85     |   0.0 | 98.96
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25224    | 0.25224    | 0.25224    |   0.0 |  0.15
Output  | 0.00032913 | 0.00032913 | 0.00032913 |   0.0 |  0.00
Modify  | 1.3523     | 1.3523     | 1.3523     |   0.0 |  0.80
Other   |            | 0.1667     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      688000.0 ave      688000 max      688000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688000
Ave neighs/atom = 86.000000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000    -58413.98    -58413.98   -58673.076   -58673.076    250.58858    250.58858    45267.945    45267.945   -1354.3588   -1354.3588 
    2000    -58440.74    -58440.74   -58694.815   -58694.815     245.7317     245.7317    45245.981    45245.981   -808.92554   -808.92554 
Loop time of 178.882 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.483 ns/day, 49.689 hours/ns, 5.590 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 177.01     | 177.01     | 177.01     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.26814    | 0.26814    | 0.26814    |   0.0 |  0.15
Output  | 0.00026484 | 0.00026484 | 0.00026484 |   0.0 |  0.00
Modify  | 1.4316     | 1.4316     | 1.4316     |   0.0 |  0.80
Other   |            | 0.1737     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687814.0 ave      687814 max      687814 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687814
Ave neighs/atom = 85.976750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000    -58440.74    -58440.74   -58694.815   -58694.815     245.7317     245.7317    45245.981    45245.981   -808.92554   -808.92554 
    3000   -58429.814   -58429.814   -58691.632   -58691.632    253.22098    253.22098    45228.841    45228.841    1279.3602    1279.3602 
Loop time of 196.399 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.440 ns/day, 54.555 hours/ns, 5.092 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 194.32     | 194.32     | 194.32     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27997    | 0.27997    | 0.27997    |   0.0 |  0.14
Output  | 0.0003118  | 0.0003118  | 0.0003118  |   0.0 |  0.00
Modify  | 1.6123     | 1.6123     | 1.6123     |   0.0 |  0.82
Other   |            | 0.1872     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687904.0 ave      687904 max      687904 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687904
Ave neighs/atom = 85.988000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -58429.814   -58429.814   -58691.632   -58691.632    253.22098    253.22098    45228.841    45228.841    1279.3602    1279.3602 
    4000   -58431.821   -58431.821   -58697.407   -58697.407    256.86531    256.86531    45244.472    45244.472   -673.74376   -673.74376 
Loop time of 184.801 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.468 ns/day, 51.334 hours/ns, 5.411 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 182.85     | 182.85     | 182.85     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.26946    | 0.26946    | 0.26946    |   0.0 |  0.15
Output  | 0.00026601 | 0.00026601 | 0.00026601 |   0.0 |  0.00
Modify  | 1.4993     | 1.4993     | 1.4993     |   0.0 |  0.81
Other   |            | 0.1777     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687920.0 ave      687920 max      687920 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687920
Ave neighs/atom = 85.990000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 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 = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -58431.821   -58431.821   -58697.407   -58697.407    256.86531    256.86531    45244.472    45244.472   -673.74376   -673.74376 
    5000   -58436.266   -58436.266   -58695.165   -58695.165    250.39738    250.39738    45254.697    45254.697   -1636.8948   -1636.8948 
Loop time of 167.772 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.515 ns/day, 46.603 hours/ns, 5.960 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 166.02     | 166.02     | 166.02     |   0.0 | 98.96
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2519     | 0.2519     | 0.2519     |   0.0 |  0.15
Output  | 0.00028234 | 0.00028234 | 0.00028234 |   0.0 |  0.00
Modify  | 1.3327     | 1.3327     | 1.3327     |   0.0 |  0.79
Other   |            | 0.1647     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687882.0 ave      687882 max      687882 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687882
Ave neighs/atom = 85.985250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.761061978949, Press = -54.1710312066427
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -58436.266   -58436.266   -58695.165   -58695.165    250.39738    250.39738    45254.697    45254.697   -1636.8948   -1636.8948 
    6000   -58427.707   -58427.707   -58692.575   -58692.575    256.17029    256.17029    45207.705    45207.705    3331.9829    3331.9829 
Loop time of 194.517 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.444 ns/day, 54.032 hours/ns, 5.141 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 192.27     | 192.27     | 192.27     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.29437    | 0.29437    | 0.29437    |   0.0 |  0.15
Output  | 0.00023399 | 0.00023399 | 0.00023399 |   0.0 |  0.00
Modify  | 1.7597     | 1.7597     | 1.7597     |   0.0 |  0.90
Other   |            | 0.1955     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687926.0 ave      687926 max      687926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687926
Ave neighs/atom = 85.990750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.854751795104, Press = -1.0022689829557
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.904 | 8.904 | 8.904 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -58427.707   -58427.707   -58692.575   -58692.575    256.17029    256.17029    45207.705    45207.705    3331.9829    3331.9829 
    7000   -58437.373   -58437.373   -58695.545   -58695.545    249.69484    249.69484    45236.382    45236.382    90.633027    90.633027 
Loop time of 165.899 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.521 ns/day, 46.083 hours/ns, 6.028 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    | 164.16     | 164.16     | 164.16     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24694    | 0.24694    | 0.24694    |   0.0 |  0.15
Output  | 0.00027268 | 0.00027268 | 0.00027268 |   0.0 |  0.00
Modify  | 1.3343     | 1.3343     | 1.3343     |   0.0 |  0.80
Other   |            | 0.1621     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687876.0 ave      687876 max      687876 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687876
Ave neighs/atom = 85.984500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.010671886713, Press = 53.6424522115954
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -58437.373   -58437.373   -58695.545   -58695.545    249.69484    249.69484    45236.382    45236.382    90.633027    90.633027 
    8000   -58429.487   -58429.487   -58694.631   -58694.631    256.43752    256.43752    45256.048    45256.048    -1592.196    -1592.196 
Loop time of 165.752 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.521 ns/day, 46.042 hours/ns, 6.033 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 164        | 164        | 164        |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24985    | 0.24985    | 0.24985    |   0.0 |  0.15
Output  | 0.00023227 | 0.00023227 | 0.00023227 |   0.0 |  0.00
Modify  | 1.3376     | 1.3376     | 1.3376     |   0.0 |  0.81
Other   |            | 0.1619     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687900.0 ave      687900 max      687900 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687900
Ave neighs/atom = 85.987500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.117494186261, Press = 1.30423716883531
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -58429.487   -58429.487   -58694.631   -58694.631    256.43752    256.43752    45256.048    45256.048    -1592.196    -1592.196 
    9000    -58433.67    -58433.67   -58693.077   -58693.077    250.88912    250.88912    45228.884    45228.884    1101.9952    1101.9952 
Loop time of 165.763 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.521 ns/day, 46.045 hours/ns, 6.033 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 164.02     | 164.02     | 164.02     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25059    | 0.25059    | 0.25059    |   0.0 |  0.15
Output  | 0.00023132 | 0.00023132 | 0.00023132 |   0.0 |  0.00
Modify  | 1.3344     | 1.3344     | 1.3344     |   0.0 |  0.81
Other   |            | 0.1616     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687896.0 ave      687896 max      687896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687896
Ave neighs/atom = 85.987000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.040544861204, Press = 4.96540427140329
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000    -58433.67    -58433.67   -58693.077   -58693.077    250.88912    250.88912    45228.884    45228.884    1101.9952    1101.9952 
   10000   -58435.559   -58435.559    -58697.41    -58697.41    253.25233    253.25233    45239.164    45239.164   -187.19541   -187.19541 
Loop time of 165.774 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.521 ns/day, 46.048 hours/ns, 6.032 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    | 164.02     | 164.02     | 164.02     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25128    | 0.25128    | 0.25128    |   0.0 |  0.15
Output  | 0.00023147 | 0.00023147 | 0.00023147 |   0.0 |  0.00
Modify  | 1.3407     | 1.3407     | 1.3407     |   0.0 |  0.81
Other   |            | 0.1616     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687870.0 ave      687870 max      687870 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687870
Ave neighs/atom = 85.983750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.125933484244, Press = 9.62382348235752
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -58435.559   -58435.559    -58697.41    -58697.41    253.25233    253.25233    45239.164    45239.164   -187.19541   -187.19541 
   11000   -58427.913   -58427.913   -58691.773   -58691.773    255.19534    255.19534    45253.906    45253.906   -1158.3731   -1158.3731 
Loop time of 165.809 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.521 ns/day, 46.058 hours/ns, 6.031 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 164.06     | 164.06     | 164.06     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25104    | 0.25104    | 0.25104    |   0.0 |  0.15
Output  | 0.00023232 | 0.00023232 | 0.00023232 |   0.0 |  0.00
Modify  | 1.3391     | 1.3391     | 1.3391     |   0.0 |  0.81
Other   |            | 0.1609     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687912.0 ave      687912 max      687912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687912
Ave neighs/atom = 85.989000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.108402581206, Press = 0.496960042238775
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -58427.913   -58427.913   -58691.773   -58691.773    255.19534    255.19534    45253.906    45253.906   -1158.3731   -1158.3731 
   12000   -58434.499   -58434.499   -58695.487   -58695.487    252.41851    252.41851     45212.88     45212.88    2451.5098    2451.5098 
Loop time of 165.755 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.521 ns/day, 46.043 hours/ns, 6.033 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 164        | 164        | 164        |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25081    | 0.25081    | 0.25081    |   0.0 |  0.15
Output  | 0.00023623 | 0.00023623 | 0.00023623 |   0.0 |  0.00
Modify  | 1.3415     | 1.3415     | 1.3415     |   0.0 |  0.81
Other   |            | 0.1622     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687864.0 ave      687864 max      687864 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687864
Ave neighs/atom = 85.983000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.225226254619, Press = 2.34312248623331
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.904 | 8.904 | 8.904 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -58434.499   -58434.499   -58695.487   -58695.487    252.41851    252.41851     45212.88     45212.88    2451.5098    2451.5098 
   13000    -58434.28    -58434.28   -58695.643   -58695.643    252.78058    252.78058    45244.053    45244.053   -605.14197   -605.14197 
Loop time of 165.681 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.521 ns/day, 46.023 hours/ns, 6.036 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 163.93     | 163.93     | 163.93     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24677    | 0.24677    | 0.24677    |   0.0 |  0.15
Output  | 0.00023551 | 0.00023551 | 0.00023551 |   0.0 |  0.00
Modify  | 1.3411     | 1.3411     | 1.3411     |   0.0 |  0.81
Other   |            | 0.162      |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687912.0 ave      687912 max      687912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687912
Ave neighs/atom = 85.989000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.299130959641, Press = 11.3916117220651
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000    -58434.28    -58434.28   -58695.643   -58695.643    252.78058    252.78058    45244.053    45244.053   -605.14197   -605.14197 
   14000   -58431.342   -58431.342   -58694.178   -58694.178    254.20524    254.20524    45265.648    45265.648   -2513.0707   -2513.0707 
Loop time of 165.765 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.521 ns/day, 46.046 hours/ns, 6.033 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 164.02     | 164.02     | 164.02     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24991    | 0.24991    | 0.24991    |   0.0 |  0.15
Output  | 0.00022976 | 0.00022976 | 0.00022976 |   0.0 |  0.00
Modify  | 1.3381     | 1.3381     | 1.3381     |   0.0 |  0.81
Other   |            | 0.1611     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687886.0 ave      687886 max      687886 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687886
Ave neighs/atom = 85.985750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.273794720797, Press = -2.03741789478227
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -58431.342   -58431.342   -58694.178   -58694.178    254.20524    254.20524    45265.648    45265.648   -2513.0707   -2513.0707 
   15000   -58435.026   -58435.026   -58696.842   -58696.842    253.21878    253.21878    45212.583    45212.583    2432.9701    2432.9701 
Loop time of 166.708 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.518 ns/day, 46.308 hours/ns, 5.999 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 164.95     | 164.95     | 164.95     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24985    | 0.24985    | 0.24985    |   0.0 |  0.15
Output  | 0.00058532 | 0.00058532 | 0.00058532 |   0.0 |  0.00
Modify  | 1.3418     | 1.3418     | 1.3418     |   0.0 |  0.80
Other   |            | 0.1626     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687880.0 ave      687880 max      687880 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687880
Ave neighs/atom = 85.985000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.258192149387, Press = 0.678983890479169
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.904 | 8.904 | 8.904 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -58435.026   -58435.026   -58696.842   -58696.842    253.21878    253.21878    45212.583    45212.583    2432.9701    2432.9701 
   16000   -58432.338   -58432.338   -58691.827   -58691.827    250.96756    250.96756    45241.419    45241.419   -115.36102   -115.36102 
Loop time of 190.545 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.453 ns/day, 52.929 hours/ns, 5.248 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 188.47     | 188.47     | 188.47     |   0.0 | 98.91
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27703    | 0.27703    | 0.27703    |   0.0 |  0.15
Output  | 0.00032116 | 0.00032116 | 0.00032116 |   0.0 |  0.00
Modify  | 1.616      | 1.616      | 1.616      |   0.0 |  0.85
Other   |            | 0.1838     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687928.0 ave      687928 max      687928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687928
Ave neighs/atom = 85.991000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.355139966747, Press = 7.16660170815116
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -58432.338   -58432.338   -58691.827   -58691.827    250.96756    250.96756    45241.419    45241.419   -115.36102   -115.36102 
   17000    -58429.05    -58429.05   -58697.422   -58697.422    259.55938    259.55938     45260.63     45260.63   -2155.5655   -2155.5655 
Loop time of 198.68 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.435 ns/day, 55.189 hours/ns, 5.033 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 196.43     | 196.43     | 196.43     |   0.0 | 98.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.29126    | 0.29126    | 0.29126    |   0.0 |  0.15
Output  | 0.00024282 | 0.00024282 | 0.00024282 |   0.0 |  0.00
Modify  | 1.7597     | 1.7597     | 1.7597     |   0.0 |  0.89
Other   |            | 0.1968     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687860.0 ave      687860 max      687860 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687860
Ave neighs/atom = 85.982500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.358067582451, Press = -0.760676177809501
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000    -58429.05    -58429.05   -58697.422   -58697.422    259.55938    259.55938     45260.63     45260.63   -2155.5655   -2155.5655 
   18000   -58431.903   -58431.903   -58695.621   -58695.621    255.05831    255.05831    45210.824    45210.824     2723.894     2723.894 
Loop time of 179.933 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.480 ns/day, 49.981 hours/ns, 5.558 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 178        | 178        | 178        |   0.0 | 98.93
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.26008    | 0.26008    | 0.26008    |   0.0 |  0.14
Output  | 0.00023147 | 0.00023147 | 0.00023147 |   0.0 |  0.00
Modify  | 1.4945     | 1.4945     | 1.4945     |   0.0 |  0.83
Other   |            | 0.1746     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687892.0 ave      687892 max      687892 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687892
Ave neighs/atom = 85.986500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.450047162463, Press = 0.738359619105744
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.904 | 8.904 | 8.904 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -58431.903   -58431.903   -58695.621   -58695.621    255.05831    255.05831    45210.824    45210.824     2723.894     2723.894 
   19000   -58430.702   -58430.702    -58693.85    -58693.85    254.50793    254.50793    45246.658    45246.658   -675.09794   -675.09794 
Loop time of 164.477 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.525 ns/day, 45.688 hours/ns, 6.080 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.76     | 162.76     | 162.76     |   0.0 | 98.96
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23562    | 0.23562    | 0.23562    |   0.0 |  0.14
Output  | 0.00023231 | 0.00023231 | 0.00023231 |   0.0 |  0.00
Modify  | 1.3148     | 1.3148     | 1.3148     |   0.0 |  0.80
Other   |            | 0.1613     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687870.0 ave      687870 max      687870 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687870
Ave neighs/atom = 85.983750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.462298701094, Press = 8.50310352192611
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -58430.702   -58430.702    -58693.85    -58693.85    254.50793    254.50793    45246.658    45246.658   -675.09794   -675.09794 
   20000   -58435.999   -58435.999   -58695.551   -58695.551    251.02975    251.02975    45260.211    45260.211   -2166.3913   -2166.3913 
Loop time of 165.844 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.521 ns/day, 46.068 hours/ns, 6.030 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 164.11     | 164.11     | 164.11     |   0.0 | 98.96
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24031    | 0.24031    | 0.24031    |   0.0 |  0.14
Output  | 0.00022836 | 0.00022836 | 0.00022836 |   0.0 |  0.00
Modify  | 1.3283     | 1.3283     | 1.3283     |   0.0 |  0.80
Other   |            | 0.1618     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687884.0 ave      687884 max      687884 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687884
Ave neighs/atom = 85.985500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.468952240125, Press = -1.06256286388571
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -58435.999   -58435.999   -58695.551   -58695.551    251.02975    251.02975    45260.211    45260.211   -2166.3913   -2166.3913 
   21000   -58430.304   -58430.304   -58692.235   -58692.235    253.33062    253.33062    45224.358    45224.358    1632.5528    1632.5528 
Loop time of 187.158 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.462 ns/day, 51.988 hours/ns, 5.343 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 185.01     | 185.01     | 185.01     |   0.0 | 98.85
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28155    | 0.28155    | 0.28155    |   0.0 |  0.15
Output  | 0.00023256 | 0.00023256 | 0.00023256 |   0.0 |  0.00
Modify  | 1.6758     | 1.6758     | 1.6758     |   0.0 |  0.90
Other   |            | 0.1901     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687878.0 ave      687878 max      687878 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687878
Ave neighs/atom = 85.984750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.474506093672, Press = 1.42819456278968
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -58430.304   -58430.304   -58692.235   -58692.235    253.33062    253.33062    45224.358    45224.358    1632.5528    1632.5528 
   22000   -58425.355   -58425.355    -58691.73    -58691.73    257.62764    257.62764    45247.248    45247.248   -488.01011   -488.01011 
Loop time of 196.873 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.439 ns/day, 54.687 hours/ns, 5.079 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 194.67     | 194.67     | 194.67     |   0.0 | 98.88
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2897     | 0.2897     | 0.2897     |   0.0 |  0.15
Output  | 0.00023134 | 0.00023134 | 0.00023134 |   0.0 |  0.00
Modify  | 1.7211     | 1.7211     | 1.7211     |   0.0 |  0.87
Other   |            | 0.1924     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687898.0 ave      687898 max      687898 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687898
Ave neighs/atom = 85.987250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.455896233917, Press = 2.91161064768873
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -58425.355   -58425.355    -58691.73    -58691.73    257.62764    257.62764    45247.248    45247.248   -488.01011   -488.01011 
   23000   -58433.725   -58433.725   -58695.392   -58695.392    253.07508    253.07508     45248.14     45248.14   -972.55015   -972.55015 
Loop time of 197.365 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.438 ns/day, 54.824 hours/ns, 5.067 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 195.05     | 195.05     | 195.05     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.29901    | 0.29901    | 0.29901    |   0.0 |  0.15
Output  | 0.00023292 | 0.00023292 | 0.00023292 |   0.0 |  0.00
Modify  | 1.81       | 1.81       | 1.81       |   0.0 |  0.92
Other   |            | 0.2016     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687864.0 ave      687864 max      687864 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687864
Ave neighs/atom = 85.983000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.48848397781, Press = 0.105983724318844
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -58433.725   -58433.725   -58695.392   -58695.392    253.07508    253.07508     45248.14     45248.14   -972.55015   -972.55015 
   24000   -58431.675   -58431.675   -58693.245   -58693.245    252.98026    252.98026    45200.038    45200.038    3912.4904    3912.4904 
Loop time of 197.208 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.438 ns/day, 54.780 hours/ns, 5.071 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 195.03     | 195.03     | 195.03     |   0.0 | 98.90
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2873     | 0.2873     | 0.2873     |   0.0 |  0.15
Output  | 0.00027706 | 0.00027706 | 0.00027706 |   0.0 |  0.00
Modify  | 1.6993     | 1.6993     | 1.6993     |   0.0 |  0.86
Other   |            | 0.1906     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687902.0 ave      687902 max      687902 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687902
Ave neighs/atom = 85.987750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.477790737744, Press = 0.892945706175115
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.904 | 8.904 | 8.904 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -58431.675   -58431.675   -58693.245   -58693.245    252.98026    252.98026    45200.038    45200.038    3912.4904    3912.4904 
   25000   -58439.941   -58439.941   -58697.745   -58697.745    249.33853    249.33853    45246.564    45246.564   -964.43533   -964.43533 
Loop time of 195.337 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.442 ns/day, 54.260 hours/ns, 5.119 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 193.21     | 193.21     | 193.21     |   0.0 | 98.91
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27982    | 0.27982    | 0.27982    |   0.0 |  0.14
Output  | 0.00034987 | 0.00034987 | 0.00034987 |   0.0 |  0.00
Modify  | 1.6601     | 1.6601     | 1.6601     |   0.0 |  0.85
Other   |            | 0.1874     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687906.0 ave      687906 max      687906 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687906
Ave neighs/atom = 85.988250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.419435723173, Press = 5.1278561201342
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -58439.941   -58439.941   -58697.745   -58697.745    249.33853    249.33853    45246.564    45246.564   -964.43533   -964.43533 
   26000   -58434.243   -58434.243    -58697.81    -58697.81    254.91212    254.91212    45254.138    45254.138   -1694.2993   -1694.2993 
Loop time of 197.638 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.437 ns/day, 54.899 hours/ns, 5.060 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 195.45     | 195.45     | 195.45     |   0.0 | 98.89
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28843    | 0.28843    | 0.28843    |   0.0 |  0.15
Output  | 0.00028416 | 0.00028416 | 0.00028416 |   0.0 |  0.00
Modify  | 1.7047     | 1.7047     | 1.7047     |   0.0 |  0.86
Other   |            | 0.1927     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687916.0 ave      687916 max      687916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687916
Ave neighs/atom = 85.989500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.410461981635, Press = -0.568717518751161
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -58434.243   -58434.243    -58697.81    -58697.81    254.91212    254.91212    45254.138    45254.138   -1694.2993   -1694.2993 
   27000   -58432.441   -58432.441   -58695.599   -58695.599    254.51722    254.51722     45222.15     45222.15    1591.7374    1591.7374 
Loop time of 184.356 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.469 ns/day, 51.210 hours/ns, 5.424 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 182.3      | 182.3      | 182.3      |   0.0 | 98.88
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28284    | 0.28284    | 0.28284    |   0.0 |  0.15
Output  | 0.0002369  | 0.0002369  | 0.0002369  |   0.0 |  0.00
Modify  | 1.5913     | 1.5913     | 1.5913     |   0.0 |  0.86
Other   |            | 0.1835     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687902.0 ave      687902 max      687902 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687902
Ave neighs/atom = 85.987750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.410036560594, Press = 1.06419258223153
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -58432.441   -58432.441   -58695.599   -58695.599    254.51722    254.51722     45222.15     45222.15    1591.7374    1591.7374 
   28000   -58432.868   -58432.868   -58692.691   -58692.691    251.29095    251.29095    45242.391    45242.391    -211.7508    -211.7508 
Loop time of 197.966 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.436 ns/day, 54.990 hours/ns, 5.051 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 195.71     | 195.71     | 195.71     |   0.0 | 98.86
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.30179    | 0.30179    | 0.30179    |   0.0 |  0.15
Output  | 0.00030362 | 0.00030362 | 0.00030362 |   0.0 |  0.00
Modify  | 1.7551     | 1.7551     | 1.7551     |   0.0 |  0.89
Other   |            | 0.1961     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687912.0 ave      687912 max      687912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687912
Ave neighs/atom = 85.989000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.446777172409, Press = 2.59498244911421
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -58432.868   -58432.868   -58692.691   -58692.691    251.29095    251.29095    45242.391    45242.391    -211.7508    -211.7508 
   29000   -58434.869   -58434.869   -58693.117   -58693.117    249.76734    249.76734    45253.226    45253.226   -1329.2874   -1329.2874 
Loop time of 195.49 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.442 ns/day, 54.303 hours/ns, 5.115 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 193.25     | 193.25     | 193.25     |   0.0 | 98.85
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.29544    | 0.29544    | 0.29544    |   0.0 |  0.15
Output  | 0.00030729 | 0.00030729 | 0.00030729 |   0.0 |  0.00
Modify  | 1.7512     | 1.7512     | 1.7512     |   0.0 |  0.90
Other   |            | 0.1956     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687900.0 ave      687900 max      687900 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687900
Ave neighs/atom = 85.987500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.462767576169, Press = -0.290378643429364
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -58434.869   -58434.869   -58693.117   -58693.117    249.76734    249.76734    45253.226    45253.226   -1329.2874   -1329.2874 
   30000   -58429.487   -58429.487   -58693.043   -58693.043    254.90216    254.90216    45197.741    45197.741    4196.6192    4196.6192 
Loop time of 196.878 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.439 ns/day, 54.688 hours/ns, 5.079 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 194.69     | 194.69     | 194.69     |   0.0 | 98.89
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.29223    | 0.29223    | 0.29223    |   0.0 |  0.15
Output  | 0.00031023 | 0.00031023 | 0.00031023 |   0.0 |  0.00
Modify  | 1.6986     | 1.6986     | 1.6986     |   0.0 |  0.86
Other   |            | 0.1926     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687886.0 ave      687886 max      687886 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687886
Ave neighs/atom = 85.985750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.480664241195, Press = 0.674002174791724
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.904 | 8.904 | 8.904 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -58429.487   -58429.487   -58693.043   -58693.043    254.90216    254.90216    45197.741    45197.741    4196.6192    4196.6192 
   31000   -58434.027   -58434.027    -58694.61    -58694.61    252.02591    252.02591    45250.829    45250.829   -1080.8378   -1080.8378 
Loop time of 197.048 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.438 ns/day, 54.736 hours/ns, 5.075 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 194.89     | 194.89     | 194.89     |   0.0 | 98.90
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.28909    | 0.28909    | 0.28909    |   0.0 |  0.15
Output  | 0.00024373 | 0.00024373 | 0.00024373 |   0.0 |  0.00
Modify  | 1.6783     | 1.6783     | 1.6783     |   0.0 |  0.85
Other   |            | 0.1904     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687906.0 ave      687906 max      687906 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687906
Ave neighs/atom = 85.988250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.474019082121, Press = 4.1351260219747
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -58434.027   -58434.027    -58694.61    -58694.61    252.02591    252.02591    45250.829    45250.829   -1080.8378   -1080.8378 
   32000   -58433.161   -58433.161   -58697.035   -58697.035    255.20937    255.20937    45252.617    45252.617   -1401.8538   -1401.8538 
Loop time of 167.74 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.515 ns/day, 46.595 hours/ns, 5.962 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 165.95     | 165.95     | 165.95     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25698    | 0.25698    | 0.25698    |   0.0 |  0.15
Output  | 0.00023819 | 0.00023819 | 0.00023819 |   0.0 |  0.00
Modify  | 1.3643     | 1.3643     | 1.3643     |   0.0 |  0.81
Other   |            | 0.1648     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687866.0 ave      687866 max      687866 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687866
Ave neighs/atom = 85.983250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.459030593711, Press = -0.152970309008218
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -58433.161   -58433.161   -58697.035   -58697.035    255.20937    255.20937    45252.617    45252.617   -1401.8538   -1401.8538 
   33000    -58435.94    -58435.94   -58696.476   -58696.476    251.98027    251.98027    45224.432    45224.432    1217.1689    1217.1689 
Loop time of 178.285 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.485 ns/day, 49.524 hours/ns, 5.609 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 176.38     | 176.38     | 176.38     |   0.0 | 98.93
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.26216    | 0.26216    | 0.26216    |   0.0 |  0.15
Output  | 0.00028274 | 0.00028274 | 0.00028274 |   0.0 |  0.00
Modify  | 1.4706     | 1.4706     | 1.4706     |   0.0 |  0.82
Other   |            | 0.1746     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687884.0 ave      687884 max      687884 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687884
Ave neighs/atom = 85.985500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.395155711597, Press = 1.13704472647815
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000    -58435.94    -58435.94   -58696.476   -58696.476    251.98027    251.98027    45224.432    45224.432    1217.1689    1217.1689 
   34000   -58435.661   -58435.661   -58695.838   -58695.838    251.63395    251.63395    45246.212    45246.212   -749.18969   -749.18969 
Loop time of 170.184 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.508 ns/day, 47.273 hours/ns, 5.876 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 168.37     | 168.37     | 168.37     |   0.0 | 98.93
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25895    | 0.25895    | 0.25895    |   0.0 |  0.15
Output  | 0.00028617 | 0.00028617 | 0.00028617 |   0.0 |  0.00
Modify  | 1.3905     | 1.3905     | 1.3905     |   0.0 |  0.82
Other   |            | 0.1672     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687918.0 ave      687918 max      687918 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687918
Ave neighs/atom = 85.989750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.391084211653, Press = 1.88519446731093
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -58435.661   -58435.661   -58695.838   -58695.838    251.63395    251.63395    45246.212    45246.212   -749.18969   -749.18969 
   35000   -58425.381   -58425.381   -58688.612   -58688.612    254.58721    254.58721    45252.741    45252.741   -819.39385   -819.39385 
Loop time of 166.619 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.519 ns/day, 46.283 hours/ns, 6.002 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 164.85     | 164.85     | 164.85     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25825    | 0.25825    | 0.25825    |   0.0 |  0.15
Output  | 0.00023626 | 0.00023626 | 0.00023626 |   0.0 |  0.00
Modify  | 1.3505     | 1.3505     | 1.3505     |   0.0 |  0.81
Other   |            | 0.1623     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687874.0 ave      687874 max      687874 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687874
Ave neighs/atom = 85.984250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.412423533337, Press = -0.314483580209542
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -58425.381   -58425.381   -58688.612   -58688.612    254.58721    254.58721    45252.741    45252.741   -819.39385   -819.39385 
   36000   -58433.906   -58433.906   -58692.555   -58692.555    250.15582    250.15582    45214.126    45214.126    2500.9578    2500.9578 
Loop time of 170.545 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.507 ns/day, 47.374 hours/ns, 5.864 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 168.74     | 168.74     | 168.74     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25539    | 0.25539    | 0.25539    |   0.0 |  0.15
Output  | 0.00024355 | 0.00024355 | 0.00024355 |   0.0 |  0.00
Modify  | 1.3882     | 1.3882     | 1.3882     |   0.0 |  0.81
Other   |            | 0.1662     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687840.0 ave      687840 max      687840 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687840
Ave neighs/atom = 85.980000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.414928058278, Press = 1.01193332550087
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.920 | 8.920 | 8.920 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -58433.906   -58433.906   -58692.555   -58692.555    250.15582    250.15582    45214.126    45214.126    2500.9578    2500.9578 
   37000   -58426.922   -58426.922   -58691.968   -58691.968    256.34211    256.34211    45255.616    45255.616   -1336.5093   -1336.5093 
Loop time of 195.003 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.443 ns/day, 54.168 hours/ns, 5.128 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    | 192.87     | 192.87     | 192.87     |   0.0 | 98.90
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2869     | 0.2869     | 0.2869     |   0.0 |  0.15
Output  | 0.00028476 | 0.00028476 | 0.00028476 |   0.0 |  0.00
Modify  | 1.6629     | 1.6629     | 1.6629     |   0.0 |  0.85
Other   |            | 0.1859     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687896.0 ave      687896 max      687896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687896
Ave neighs/atom = 85.987000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.44581534411, Press = 2.47181213652181
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -58426.922   -58426.922   -58691.968   -58691.968    256.34211    256.34211    45255.616    45255.616   -1336.5093   -1336.5093 
   38000    -58430.73    -58430.73    -58692.76    -58692.76     253.4252     253.4252    45254.334    45254.334   -1297.5224   -1297.5224 
Loop time of 166.287 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.520 ns/day, 46.191 hours/ns, 6.014 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 164.51     | 164.51     | 164.51     |   0.0 | 98.93
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25777    | 0.25777    | 0.25777    |   0.0 |  0.16
Output  | 0.00023507 | 0.00023507 | 0.00023507 |   0.0 |  0.00
Modify  | 1.3519     | 1.3519     | 1.3519     |   0.0 |  0.81
Other   |            | 0.1628     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687916.0 ave      687916 max      687916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687916
Ave neighs/atom = 85.989500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.435624726233, Press = -0.629735062487413
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000    -58430.73    -58430.73    -58692.76    -58692.76     253.4252     253.4252    45254.334    45254.334   -1297.5224   -1297.5224 
   39000   -58434.976   -58434.976   -58694.374   -58694.374    250.88012    250.88012    45213.217    45213.217    2516.3618    2516.3618 
Loop time of 166.636 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.518 ns/day, 46.288 hours/ns, 6.001 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    | 164.86     | 164.86     | 164.86     |   0.0 | 98.93
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2597     | 0.2597     | 0.2597     |   0.0 |  0.16
Output  | 0.00023586 | 0.00023586 | 0.00023586 |   0.0 |  0.00
Modify  | 1.358      | 1.358      | 1.358      |   0.0 |  0.81
Other   |            | 0.1624     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687866.0 ave      687866 max      687866 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687866
Ave neighs/atom = 85.983250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.450219371937, Press = 0.891950751676392
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.920 | 8.920 | 8.920 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -58434.976   -58434.976   -58694.374   -58694.374    250.88012    250.88012    45213.217    45213.217    2516.3618    2516.3618 
   40000   -58427.918   -58427.918   -58690.197   -58690.197    253.66718    253.66718    45250.649    45250.649   -741.29506   -741.29506 
Loop time of 165.024 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.524 ns/day, 45.840 hours/ns, 6.060 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 163.28     | 163.28     | 163.28     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24948    | 0.24948    | 0.24948    |   0.0 |  0.15
Output  | 0.0002346  | 0.0002346  | 0.0002346  |   0.0 |  0.00
Modify  | 1.3328     | 1.3328     | 1.3328     |   0.0 |  0.81
Other   |            | 0.162      |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687900.0 ave      687900 max      687900 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687900
Ave neighs/atom = 85.987500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.459901639987, Press = 2.0839591840292
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -58427.918   -58427.918   -58690.197   -58690.197    253.66718    253.66718    45250.649    45250.649   -741.29506   -741.29506 
   41000   -58432.968   -58432.968    -58692.55    -58692.55    251.05829    251.05829    45251.557    45251.557   -1130.8796   -1130.8796 
Loop time of 164.156 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.526 ns/day, 45.599 hours/ns, 6.092 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.43     | 162.43     | 162.43     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24473    | 0.24473    | 0.24473    |   0.0 |  0.15
Output  | 0.00023437 | 0.00023437 | 0.00023437 |   0.0 |  0.00
Modify  | 1.324      | 1.324      | 1.324      |   0.0 |  0.81
Other   |            | 0.1608     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687884.0 ave      687884 max      687884 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687884
Ave neighs/atom = 85.985500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.480808532138, Press = -0.49190592165566
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -58432.968   -58432.968    -58692.55    -58692.55    251.05829    251.05829    45251.557    45251.557   -1130.8796   -1130.8796 
   42000   -58427.288   -58427.288   -58693.839   -58693.839    257.79813    257.79813    45211.652    45211.652    2794.1126    2794.1126 
Loop time of 164.143 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.526 ns/day, 45.595 hours/ns, 6.092 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.41     | 162.41     | 162.41     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24756    | 0.24756    | 0.24756    |   0.0 |  0.15
Output  | 0.00022986 | 0.00022986 | 0.00022986 |   0.0 |  0.00
Modify  | 1.3258     | 1.3258     | 1.3258     |   0.0 |  0.81
Other   |            | 0.1613     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687894.0 ave      687894 max      687894 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687894
Ave neighs/atom = 85.986750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.483948392093, Press = 0.899596077708687
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.904 | 8.904 | 8.904 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -58427.288   -58427.288   -58693.839   -58693.839    257.79813    257.79813    45211.652    45211.652    2794.1126    2794.1126 
   43000   -58433.892   -58433.892   -58700.039   -58700.039    257.40819    257.40819    45257.544    45257.544   -1999.2611   -1999.2611 
Loop time of 163.961 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.527 ns/day, 45.545 hours/ns, 6.099 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.23     | 162.23     | 162.23     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24507    | 0.24507    | 0.24507    |   0.0 |  0.15
Output  | 0.00022953 | 0.00022953 | 0.00022953 |   0.0 |  0.00
Modify  | 1.3219     | 1.3219     | 1.3219     |   0.0 |  0.81
Other   |            | 0.1615     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687906.0 ave      687906 max      687906 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687906
Ave neighs/atom = 85.988250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.494135768791, Press = 2.2804137997035
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -58433.892   -58433.892   -58700.039   -58700.039    257.40819    257.40819    45257.544    45257.544   -1999.2611   -1999.2611 
   44000    -58430.56    -58430.56   -58695.737   -58695.737    256.46977    256.46977    45254.359    45254.359   -1437.6346   -1437.6346 
Loop time of 164.077 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.527 ns/day, 45.577 hours/ns, 6.095 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.35     | 162.35     | 162.35     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24486    | 0.24486    | 0.24486    |   0.0 |  0.15
Output  | 0.00022713 | 0.00022713 | 0.00022713 |   0.0 |  0.00
Modify  | 1.3229     | 1.3229     | 1.3229     |   0.0 |  0.81
Other   |            | 0.1608     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687890.0 ave      687890 max      687890 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687890
Ave neighs/atom = 85.986250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.475494074486, Press = -0.546086470563107
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000    -58430.56    -58430.56   -58695.737   -58695.737    256.46977    256.46977    45254.359    45254.359   -1437.6346   -1437.6346 
   45000   -58435.975   -58435.975   -58696.502   -58696.502    251.97232    251.97232    45225.048    45225.048    1268.3169    1268.3169 
Loop time of 164.097 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.527 ns/day, 45.582 hours/ns, 6.094 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.36     | 162.36     | 162.36     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24628    | 0.24628    | 0.24628    |   0.0 |  0.15
Output  | 0.00027816 | 0.00027816 | 0.00027816 |   0.0 |  0.00
Modify  | 1.3278     | 1.3278     | 1.3278     |   0.0 |  0.81
Other   |            | 0.1611     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687912.0 ave      687912 max      687912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687912
Ave neighs/atom = 85.989000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.441466089225, Press = 0.786905227878543
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -58435.975   -58435.975   -58696.502   -58696.502    251.97232    251.97232    45225.048    45225.048    1268.3169    1268.3169 
   46000   -58430.163   -58430.163     -58695.3     -58695.3    256.43067    256.43067    45247.487    45247.487   -737.38135   -737.38135 
Loop time of 164.087 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.527 ns/day, 45.580 hours/ns, 6.094 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.36     | 162.36     | 162.36     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24203    | 0.24203    | 0.24203    |   0.0 |  0.15
Output  | 0.00022921 | 0.00022921 | 0.00022921 |   0.0 |  0.00
Modify  | 1.3218     | 1.3218     | 1.3218     |   0.0 |  0.81
Other   |            | 0.162      |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687898.0 ave      687898 max      687898 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687898
Ave neighs/atom = 85.987250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.434167379693, Press = 1.02051315814132
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -58430.163   -58430.163     -58695.3     -58695.3    256.43067    256.43067    45247.487    45247.487   -737.38135   -737.38135 
   47000   -58434.816   -58434.816     -58695.8     -58695.8    252.41398    252.41398    45240.692    45240.692   -155.51956   -155.51956 
Loop time of 164.092 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.527 ns/day, 45.581 hours/ns, 6.094 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.36     | 162.36     | 162.36     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24527    | 0.24527    | 0.24527    |   0.0 |  0.15
Output  | 0.00027985 | 0.00027985 | 0.00027985 |   0.0 |  0.00
Modify  | 1.321      | 1.321      | 1.321      |   0.0 |  0.81
Other   |            | 0.1605     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687872.0 ave      687872 max      687872 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687872
Ave neighs/atom = 85.984000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.439211772818, Press = 0.198992573446491
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -58434.816   -58434.816     -58695.8     -58695.8    252.41398    252.41398    45240.692    45240.692   -155.51956   -155.51956 
   48000   -58434.923   -58434.923   -58694.797   -58694.797    251.34061    251.34061    45222.702    45222.702    1567.6676    1567.6676 
Loop time of 164.162 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.526 ns/day, 45.601 hours/ns, 6.092 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.43     | 162.43     | 162.43     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24681    | 0.24681    | 0.24681    |   0.0 |  0.15
Output  | 0.00022701 | 0.00022701 | 0.00022701 |   0.0 |  0.00
Modify  | 1.3232     | 1.3232     | 1.3232     |   0.0 |  0.81
Other   |            | 0.1615     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687896.0 ave      687896 max      687896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687896
Ave neighs/atom = 85.987000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.450397337225, Press = 1.02661259997613
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -58434.923   -58434.923   -58694.797   -58694.797    251.34061    251.34061    45222.702    45222.702    1567.6676    1567.6676 
   49000   -58435.737   -58435.737   -58692.713   -58692.713    248.53796    248.53796    45266.578    45266.578    -2639.425    -2639.425 
Loop time of 164.043 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.527 ns/day, 45.567 hours/ns, 6.096 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.32     | 162.32     | 162.32     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24574    | 0.24574    | 0.24574    |   0.0 |  0.15
Output  | 0.00028519 | 0.00028519 | 0.00028519 |   0.0 |  0.00
Modify  | 1.3205     | 1.3205     | 1.3205     |   0.0 |  0.80
Other   |            | 0.1603     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687894.0 ave      687894 max      687894 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687894
Ave neighs/atom = 85.986750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.422424330282, Press = 1.47786414545835
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -58435.737   -58435.737   -58692.713   -58692.713    248.53796    248.53796    45266.578    45266.578    -2639.425    -2639.425 
   50000   -58436.311   -58436.311   -58697.438   -58697.438    252.55237    252.55237     45238.45     45238.45   -170.67108   -170.67108 
Loop time of 164.103 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.526 ns/day, 45.584 hours/ns, 6.094 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    | 162.38     | 162.38     | 162.38     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24393    | 0.24393    | 0.24393    |   0.0 |  0.15
Output  | 0.00023182 | 0.00023182 | 0.00023182 |   0.0 |  0.00
Modify  | 1.3229     | 1.3229     | 1.3229     |   0.0 |  0.81
Other   |            | 0.1597     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687858.0 ave      687858 max      687858 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687858
Ave neighs/atom = 85.982250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.406440356027, Press = -1.23817996577591
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -58436.311   -58436.311   -58697.438   -58697.438    252.55237    252.55237     45238.45     45238.45   -170.67108   -170.67108 
   51000   -58430.896   -58430.896   -58695.112   -58695.112    255.53975    255.53975    45217.803    45217.803     2123.214     2123.214 
Loop time of 164.107 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.526 ns/day, 45.585 hours/ns, 6.094 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    | 162.38     | 162.38     | 162.38     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24558    | 0.24558    | 0.24558    |   0.0 |  0.15
Output  | 0.00028585 | 0.00028585 | 0.00028585 |   0.0 |  0.00
Modify  | 1.3227     | 1.3227     | 1.3227     |   0.0 |  0.81
Other   |            | 0.1615     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687876.0 ave      687876 max      687876 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687876
Ave neighs/atom = 85.984500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.390117174002, Press = 1.27537982321213
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -58430.896   -58430.896   -58695.112   -58695.112    255.53975    255.53975    45217.803    45217.803     2123.214     2123.214 
   52000   -58433.285   -58433.285   -58693.456   -58693.456    251.62753    251.62753     45252.51     45252.51    -1231.542    -1231.542 
Loop time of 164.125 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.526 ns/day, 45.590 hours/ns, 6.093 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.39     | 162.39     | 162.39     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24406    | 0.24406    | 0.24406    |   0.0 |  0.15
Output  | 0.00023122 | 0.00023122 | 0.00023122 |   0.0 |  0.00
Modify  | 1.3241     | 1.3241     | 1.3241     |   0.0 |  0.81
Other   |            | 0.1622     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687912.0 ave      687912 max      687912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687912
Ave neighs/atom = 85.989000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.404205827892, Press = 0.758577942384408
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -58433.285   -58433.285   -58693.456   -58693.456    251.62753    251.62753     45252.51     45252.51    -1231.542    -1231.542 
   53000   -58424.003   -58424.003   -58687.933   -58687.933    255.26318    255.26318     45242.26     45242.26    230.65903    230.65903 
Loop time of 164.133 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.526 ns/day, 45.593 hours/ns, 6.093 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.4      | 162.4      | 162.4      |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.245      | 0.245      | 0.245      |   0.0 |  0.15
Output  | 0.00022834 | 0.00022834 | 0.00022834 |   0.0 |  0.00
Modify  | 1.3229     | 1.3229     | 1.3229     |   0.0 |  0.81
Other   |            | 0.1614     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687892.0 ave      687892 max      687892 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687892
Ave neighs/atom = 85.986500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.406953158966, Press = 0.101680227747921
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -58424.003   -58424.003   -58687.933   -58687.933    255.26318    255.26318     45242.26     45242.26    230.65903    230.65903 
   54000   -58434.607   -58434.607    -58695.25    -58695.25    252.08434    252.08434    45227.942    45227.942    1023.4186    1023.4186 
Loop time of 164.036 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.527 ns/day, 45.565 hours/ns, 6.096 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    | 162.31     | 162.31     | 162.31     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24544    | 0.24544    | 0.24544    |   0.0 |  0.15
Output  | 0.00028175 | 0.00028175 | 0.00028175 |   0.0 |  0.00
Modify  | 1.3223     | 1.3223     | 1.3223     |   0.0 |  0.81
Other   |            | 0.1614     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687862.0 ave      687862 max      687862 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687862
Ave neighs/atom = 85.982750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.422298128003, Press = 1.03348472365928
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -58434.607   -58434.607    -58695.25    -58695.25    252.08434    252.08434    45227.942    45227.942    1023.4186    1023.4186 
   55000   -58428.943   -58428.943   -58692.933   -58692.933    255.32155    255.32155    45260.448    45260.448   -1866.1292   -1866.1292 
Loop time of 164.06 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.527 ns/day, 45.572 hours/ns, 6.095 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.33     | 162.33     | 162.33     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24432    | 0.24432    | 0.24432    |   0.0 |  0.15
Output  | 0.00022737 | 0.00022737 | 0.00022737 |   0.0 |  0.00
Modify  | 1.3232     | 1.3232     | 1.3232     |   0.0 |  0.81
Other   |            | 0.1627     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687904.0 ave      687904 max      687904 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687904
Ave neighs/atom = 85.988000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.431034628012, Press = 0.617375125691853
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -58428.943   -58428.943   -58692.933   -58692.933    255.32155    255.32155    45260.448    45260.448   -1866.1292   -1866.1292 
   56000   -58433.831   -58433.831   -58692.269   -58692.269    249.95213    249.95213    45229.305    45229.305    1116.1523    1116.1523 
Loop time of 164.082 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.527 ns/day, 45.578 hours/ns, 6.095 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.35     | 162.35     | 162.35     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24551    | 0.24551    | 0.24551    |   0.0 |  0.15
Output  | 0.00022851 | 0.00022851 | 0.00022851 |   0.0 |  0.00
Modify  | 1.3247     | 1.3247     | 1.3247     |   0.0 |  0.81
Other   |            | 0.1626     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687898.0 ave      687898 max      687898 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687898
Ave neighs/atom = 85.987250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.429251890555, Press = -0.435980409468697
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -58433.831   -58433.831   -58692.269   -58692.269    249.95213    249.95213    45229.305    45229.305    1116.1523    1116.1523 
   57000   -58431.101   -58431.101   -58694.058   -58694.058    254.32208    254.32208    45219.082    45219.082    2070.6302    2070.6302 
Loop time of 164.041 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.527 ns/day, 45.567 hours/ns, 6.096 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    | 162.31     | 162.31     | 162.31     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24447    | 0.24447    | 0.24447    |   0.0 |  0.15
Output  | 0.0002296  | 0.0002296  | 0.0002296  |   0.0 |  0.00
Modify  | 1.3227     | 1.3227     | 1.3227     |   0.0 |  0.81
Other   |            | 0.1612     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687896.0 ave      687896 max      687896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687896
Ave neighs/atom = 85.987000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.436464733773, Press = 1.91792404003599
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -58431.101   -58431.101   -58694.058   -58694.058    254.32208    254.32208    45219.082    45219.082    2070.6302    2070.6302 
   58000   -58426.801   -58426.801   -58691.318   -58691.318    255.83132    255.83132    45284.421    45284.421   -4018.7621   -4018.7621 
Loop time of 165.666 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.522 ns/day, 46.018 hours/ns, 6.036 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 163.92     | 163.92     | 163.92     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24721    | 0.24721    | 0.24721    |   0.0 |  0.15
Output  | 0.0002299  | 0.0002299  | 0.0002299  |   0.0 |  0.00
Modify  | 1.336      | 1.336      | 1.336      |   0.0 |  0.81
Other   |            | 0.1632     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687900.0 ave      687900 max      687900 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687900
Ave neighs/atom = 85.987500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.432297478528, Press = 0.277840138957909
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -58426.801   -58426.801   -58691.318   -58691.318    255.83132    255.83132    45284.421    45284.421   -4018.7621   -4018.7621 
   59000   -58433.442   -58433.442     -58697.3     -58697.3    255.19364    255.19364     45229.13     45229.13     844.3627     844.3627 
Loop time of 166.3 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.520 ns/day, 46.194 hours/ns, 6.013 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 164.54     | 164.54     | 164.54     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25169    | 0.25169    | 0.25169    |   0.0 |  0.15
Output  | 0.00027977 | 0.00027977 | 0.00027977 |   0.0 |  0.00
Modify  | 1.3454     | 1.3454     | 1.3454     |   0.0 |  0.81
Other   |            | 0.1637     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687854.0 ave      687854 max      687854 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687854
Ave neighs/atom = 85.981750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.448735340289, Press = 0.0779645803871527
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -58433.442   -58433.442     -58697.3     -58697.3    255.19364    255.19364     45229.13     45229.13     844.3627     844.3627 
   60000   -58428.349   -58428.349   -58690.578   -58690.578    253.61856    253.61856    45239.012    45239.012    368.76238    368.76238 
Loop time of 166.006 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.520 ns/day, 46.113 hours/ns, 6.024 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 164.25     | 164.25     | 164.25     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24783    | 0.24783    | 0.24783    |   0.0 |  0.15
Output  | 0.00022992 | 0.00022992 | 0.00022992 |   0.0 |  0.00
Modify  | 1.3444     | 1.3444     | 1.3444     |   0.0 |  0.81
Other   |            | 0.1623     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687888.0 ave      687888 max      687888 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687888
Ave neighs/atom = 85.986000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.445922453671, Press = 0.924572929694023
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000   -58428.349   -58428.349   -58690.578   -58690.578    253.61856    253.61856    45239.012    45239.012    368.76238    368.76238 
   61000   -58432.885   -58432.885   -58697.304   -58697.304    255.73551    255.73551    45251.124    45251.124   -1269.6446   -1269.6446 
Loop time of 166.256 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.520 ns/day, 46.182 hours/ns, 6.015 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 164.5      | 164.5      | 164.5      |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24879    | 0.24879    | 0.24879    |   0.0 |  0.15
Output  | 0.00027766 | 0.00027766 | 0.00027766 |   0.0 |  0.00
Modify  | 1.3409     | 1.3409     | 1.3409     |   0.0 |  0.81
Other   |            | 0.1641     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687870.0 ave      687870 max      687870 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687870
Ave neighs/atom = 85.983750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.459969993299, Press = 0.26038985579571
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -58432.885   -58432.885   -58697.304   -58697.304    255.73551    255.73551    45251.124    45251.124   -1269.6446   -1269.6446 
   62000   -58431.462   -58431.462   -58693.804   -58693.804    253.72766    253.72766    45215.846    45215.846    2300.0171    2300.0171 
Loop time of 166.609 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.519 ns/day, 46.280 hours/ns, 6.002 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 164.86     | 164.86     | 164.86     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24752    | 0.24752    | 0.24752    |   0.0 |  0.15
Output  | 0.00023388 | 0.00023388 | 0.00023388 |   0.0 |  0.00
Modify  | 1.3427     | 1.3427     | 1.3427     |   0.0 |  0.81
Other   |            | 0.1633     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687898.0 ave      687898 max      687898 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687898
Ave neighs/atom = 85.987250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.447169937851, Press = 0.0642445342069383
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -58431.462   -58431.462   -58693.804   -58693.804    253.72766    253.72766    45215.846    45215.846    2300.0171    2300.0171 
   63000   -58438.531   -58438.531   -58701.522   -58701.522    254.35571    254.35571    45234.041    45234.041    41.114321    41.114321 
Loop time of 198.206 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.436 ns/day, 55.057 hours/ns, 5.045 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 195.93     | 195.93     | 195.93     |   0.0 | 98.85
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.30211    | 0.30211    | 0.30211    |   0.0 |  0.15
Output  | 0.00022992 | 0.00022992 | 0.00022992 |   0.0 |  0.00
Modify  | 1.776      | 1.776      | 1.776      |   0.0 |  0.90
Other   |            | 0.1977     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687892.0 ave      687892 max      687892 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687892
Ave neighs/atom = 85.986500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.427443737052, Press = 2.04145762146851
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -58438.531   -58438.531   -58701.522   -58701.522    254.35571    254.35571    45234.041    45234.041    41.114321    41.114321 
   64000   -58430.573   -58430.573   -58691.758   -58691.758    252.60922    252.60922    45266.824    45266.824   -2474.7168   -2474.7168 
Loop time of 164.318 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.526 ns/day, 45.644 hours/ns, 6.086 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    | 162.57     | 162.57     | 162.57     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24711    | 0.24711    | 0.24711    |   0.0 |  0.15
Output  | 0.00023097 | 0.00023097 | 0.00023097 |   0.0 |  0.00
Modify  | 1.3353     | 1.3353     | 1.3353     |   0.0 |  0.81
Other   |            | 0.1617     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687928.0 ave      687928 max      687928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687928
Ave neighs/atom = 85.991000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.416842935818, Press = -0.172390849546281
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -58430.573   -58430.573   -58691.758   -58691.758    252.60922    252.60922    45266.824    45266.824   -2474.7168   -2474.7168 
   65000   -58438.166   -58438.166    -58698.68    -58698.68    251.95924    251.95924    45215.807    45215.807    1995.6979    1995.6979 
Loop time of 185.108 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.467 ns/day, 51.419 hours/ns, 5.402 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 183.09     | 183.09     | 183.09     |   0.0 | 98.91
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27648    | 0.27648    | 0.27648    |   0.0 |  0.15
Output  | 0.00034865 | 0.00034865 | 0.00034865 |   0.0 |  0.00
Modify  | 1.557      | 1.557      | 1.557      |   0.0 |  0.84
Other   |            | 0.1798     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687868.0 ave      687868 max      687868 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687868
Ave neighs/atom = 85.983500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.394259295229, Press = 0.124517136676828
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -58438.166   -58438.166    -58698.68    -58698.68    251.95924    251.95924    45215.807    45215.807    1995.6979    1995.6979 
   66000   -58428.461   -58428.461   -58691.096   -58691.096    254.01052    254.01052    45243.216    45243.216   -144.96033   -144.96033 
Loop time of 178.715 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.483 ns/day, 49.643 hours/ns, 5.596 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 176.75     | 176.75     | 176.75     |   0.0 | 98.90
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27053    | 0.27053    | 0.27053    |   0.0 |  0.15
Output  | 0.00030143 | 0.00030143 | 0.00030143 |   0.0 |  0.00
Modify  | 1.5127     | 1.5127     | 1.5127     |   0.0 |  0.85
Other   |            | 0.1774     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687924.0 ave      687924 max      687924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687924
Ave neighs/atom = 85.990500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.383910422523, Press = 1.10525161117394
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000   -58428.461   -58428.461   -58691.096   -58691.096    254.01052    254.01052    45243.216    45243.216   -144.96033   -144.96033 
   67000   -58434.043   -58434.043   -58694.969   -58694.969     252.3582     252.3582    45248.877    45248.877   -968.61813   -968.61813 
Loop time of 179.876 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.480 ns/day, 49.966 hours/ns, 5.559 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 177.87     | 177.87     | 177.87     |   0.0 | 98.88
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.27838    | 0.27838    | 0.27838    |   0.0 |  0.15
Output  | 0.00023237 | 0.00023237 | 0.00023237 |   0.0 |  0.00
Modify  | 1.5511     | 1.5511     | 1.5511     |   0.0 |  0.86
Other   |            | 0.1806     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687902.0 ave      687902 max      687902 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687902
Ave neighs/atom = 85.987750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.393346115561, Press = 0.20044824289929
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000   -58434.043   -58434.043   -58694.969   -58694.969     252.3582     252.3582    45248.877    45248.877   -968.61813   -968.61813 
   68000   -58429.087   -58429.087   -58695.408   -58695.408    257.57562    257.57562    45236.727    45236.727    222.76919    222.76919 
Loop time of 164.856 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.524 ns/day, 45.793 hours/ns, 6.066 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 163.11     | 163.11     | 163.11     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25137    | 0.25137    | 0.25137    |   0.0 |  0.15
Output  | 0.00028942 | 0.00028942 | 0.00028942 |   0.0 |  0.00
Modify  | 1.3362     | 1.3362     | 1.3362     |   0.0 |  0.81
Other   |            | 0.1622     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687926.0 ave      687926 max      687926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687926
Ave neighs/atom = 85.990750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.399009140194, Press = 0.343265007506617
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   68000   -58429.087   -58429.087   -58695.408   -58695.408    257.57562    257.57562    45236.727    45236.727    222.76919    222.76919 
   69000   -58437.713   -58437.713   -58697.377   -58697.377    251.13763    251.13763    45237.368    45237.368   -75.894481   -75.894481 
Loop time of 164.782 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.524 ns/day, 45.773 hours/ns, 6.069 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    | 163.03     | 163.03     | 163.03     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24884    | 0.24884    | 0.24884    |   0.0 |  0.15
Output  | 0.00028713 | 0.00028713 | 0.00028713 |   0.0 |  0.00
Modify  | 1.3354     | 1.3354     | 1.3354     |   0.0 |  0.81
Other   |            | 0.1639     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687866.0 ave      687866 max      687866 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687866
Ave neighs/atom = 85.983250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.388816940253, Press = 0.566440665247346
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   69000   -58437.713   -58437.713   -58697.377   -58697.377    251.13763    251.13763    45237.368    45237.368   -75.894481   -75.894481 
   70000   -58430.465   -58430.465   -58692.142   -58692.142     253.0843     253.0843    45246.399    45246.399   -522.14311   -522.14311 
Loop time of 167.27 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.517 ns/day, 46.464 hours/ns, 5.978 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 165.49     | 165.49     | 165.49     |   0.0 | 98.93
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25427    | 0.25427    | 0.25427    |   0.0 |  0.15
Output  | 0.00023076 | 0.00023076 | 0.00023076 |   0.0 |  0.00
Modify  | 1.3649     | 1.3649     | 1.3649     |   0.0 |  0.82
Other   |            | 0.1645     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687916.0 ave      687916 max      687916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687916
Ave neighs/atom = 85.989500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.378104601828, Press = 0.176010921332808
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   70000   -58430.465   -58430.465   -58692.142   -58692.142     253.0843     253.0843    45246.399    45246.399   -522.14311   -522.14311 
   71000   -58435.002   -58435.002   -58696.211   -58696.211    252.63193    252.63193     45217.49     45217.49     2059.196     2059.196 
Loop time of 166.013 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.520 ns/day, 46.115 hours/ns, 6.024 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 164.25     | 164.25     | 164.25     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.25116    | 0.25116    | 0.25116    |   0.0 |  0.15
Output  | 0.00022982 | 0.00022982 | 0.00022982 |   0.0 |  0.00
Modify  | 1.3436     | 1.3436     | 1.3436     |   0.0 |  0.81
Other   |            | 0.1641     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687876.0 ave      687876 max      687876 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687876
Ave neighs/atom = 85.984500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.354923948209, Press = 0.452141778124291
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   71000   -58435.002   -58435.002   -58696.211   -58696.211    252.63193    252.63193     45217.49     45217.49     2059.196     2059.196 
   72000   -58432.615   -58432.615   -58696.213   -58696.213    254.94196    254.94196    45254.091    45254.091   -1534.4361   -1534.4361 
Loop time of 164.64 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.525 ns/day, 45.733 hours/ns, 6.074 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.9      | 162.9      | 162.9      |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24775    | 0.24775    | 0.24775    |   0.0 |  0.15
Output  | 0.0002803  | 0.0002803  | 0.0002803  |   0.0 |  0.00
Modify  | 1.3278     | 1.3278     | 1.3278     |   0.0 |  0.81
Other   |            | 0.1614     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687894.0 ave      687894 max      687894 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687894
Ave neighs/atom = 85.986750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.353211881278, Press = 1.13174743115152
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   72000   -58432.615   -58432.615   -58696.213   -58696.213    254.94196    254.94196    45254.091    45254.091   -1534.4361   -1534.4361 
   73000   -58433.787   -58433.787   -58694.209   -58694.209    251.87088    251.87088    45255.154    45255.154   -1520.6734   -1520.6734 
Loop time of 165.177 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.523 ns/day, 45.882 hours/ns, 6.054 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 163.43     | 163.43     | 163.43     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2494     | 0.2494     | 0.2494     |   0.0 |  0.15
Output  | 0.00023056 | 0.00023056 | 0.00023056 |   0.0 |  0.00
Modify  | 1.3294     | 1.3294     | 1.3294     |   0.0 |  0.80
Other   |            | 0.1633     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687880.0 ave      687880 max      687880 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687880
Ave neighs/atom = 85.985000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.338562206977, Press = -0.621600915554376
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   73000   -58433.787   -58433.787   -58694.209   -58694.209    251.87088    251.87088    45255.154    45255.154   -1520.6734   -1520.6734 
   74000   -58439.088   -58439.088   -58703.382   -58703.382     255.6155     255.6155    45210.986    45210.986    2228.3495    2228.3495 
Loop time of 166.001 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.520 ns/day, 46.111 hours/ns, 6.024 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 164.24     | 164.24     | 164.24     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2519     | 0.2519     | 0.2519     |   0.0 |  0.15
Output  | 0.00028062 | 0.00028062 | 0.00028062 |   0.0 |  0.00
Modify  | 1.3424     | 1.3424     | 1.3424     |   0.0 |  0.81
Other   |            | 0.1645     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687890.0 ave      687890 max      687890 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687890
Ave neighs/atom = 85.986250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.329593919846, Press = 0.468926158801985
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 15 15 15
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.904 | 8.904 | 8.904 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   74000   -58439.088   -58439.088   -58703.382   -58703.382     255.6155     255.6155    45210.986    45210.986    2228.3495    2228.3495 
   75000   -58431.543   -58431.543   -58691.634   -58691.634    251.55054    251.55054    45244.347    45244.347   -289.51721   -289.51721 
Loop time of 164.213 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.526 ns/day, 45.615 hours/ns, 6.090 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    | 162.48     | 162.48     | 162.48     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24711    | 0.24711    | 0.24711    |   0.0 |  0.15
Output  | 0.00028486 | 0.00028486 | 0.00028486 |   0.0 |  0.00
Modify  | 1.3288     | 1.3288     | 1.3288     |   0.0 |  0.81
Other   |            | 0.1613     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687928.0 ave      687928 max      687928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687928
Ave neighs/atom = 85.991000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.3113830964, Press = 0.683875184704894
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.75
  ghost atom cutoff = 4.75
  binsize = 2.375, bins = 16 16 16
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 4.75
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 8.909 | 8.909 | 8.909 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   75000   -58431.543   -58431.543   -58691.634   -58691.634    251.55054    251.55054    45244.347    45244.347   -289.51721   -289.51721 
   76000   -58433.582   -58433.582   -58693.809   -58693.809    251.68235    251.68235    45244.155    45244.155   -512.87633   -512.87633 
Loop time of 164.437 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.525 ns/day, 45.677 hours/ns, 6.081 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 162.69     | 162.69     | 162.69     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.24847    | 0.24847    | 0.24847    |   0.0 |  0.15
Output  | 0.00022936 | 0.00022936 | 0.00022936 |   0.0 |  0.00
Modify  | 1.3349     | 1.3349     | 1.3349     |   0.0 |  0.81
Other   |            | 0.1629     |            |       |  0.10

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        8601.00 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      687914.0 ave      687914 max      687914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687914
Ave neighs/atom = 85.989250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T253.15.out"  else  "print 'not_converged'  file output/vol_T253.15.out"
print '${V}'  file output/vol_T253.15.out
45239.6149069378

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0