# 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 0 0) 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 0 0) to (35.564777 35.564777 35.564777)
  create_atoms CPU = 0.001 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_001
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 313.15*${_u_temperature}
variable temp_converted equal 313.15*1
variable Tdamp_converted equal 0.1*${_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 313.15 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 313.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 313.15 313.15 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  "313.15 - 0.2"
variable      T_up  equal  "313.15 + 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_001#item-citation

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

Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58636.218     -58636.218     -58960         -58960          313.15         313.15         44984.227      44984.227      7687.9727      7687.9727    
      1000  -58284.033     -58284.033     -58608.893     -58608.893      314.19348      314.19348      45347.549      45347.549     -2971.463      -2971.463     
Loop time of 28.2058 on 1 procs for 1000 steps with 8000 atoms

Performance: 3.063 ns/day, 7.835 hours/ns, 35.454 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 27.906     | 27.906     | 27.906     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034375   | 0.034375   | 0.034375   |   0.0 |  0.12
Output  | 0.0001769  | 0.0001769  | 0.0001769  |   0.0 |  0.00
Modify  | 0.24156    | 0.24156    | 0.24156    |   0.0 |  0.86
Other   |            | 0.02417    |            |       |  0.09

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       688000 ave      688000 max      688000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 688000
Ave neighs/atom = 86
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58284.033     -58284.033     -58608.893     -58608.893      314.19348      314.19348      45347.549      45347.549     -2971.463      -2971.463     
      2000  -58317.375     -58317.375     -58632.554     -58632.554      304.82921      304.82921      45287.317      45287.317      987.13627      987.13627    
Loop time of 31.6192 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.733 ns/day, 8.783 hours/ns, 31.626 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    | 31.322     | 31.322     | 31.322     |   0.0 | 99.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034204   | 0.034204   | 0.034204   |   0.0 |  0.11
Output  | 9.3005e-05 | 9.3005e-05 | 9.3005e-05 |   0.0 |  0.00
Modify  | 0.2399     | 0.2399     | 0.2399     |   0.0 |  0.76
Other   |            | 0.02343    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687454 ave      687454 max      687454 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687454
Ave neighs/atom = 85.93175
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58317.375     -58317.375     -58632.554     -58632.554      304.82921      304.82921      45287.317      45287.317      987.13627      987.13627    
      3000  -58303.458     -58303.458     -58628.488     -58628.488      314.35636      314.35636      45301.466      45301.466      194.53384      194.53384    
Loop time of 31.7369 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.722 ns/day, 8.816 hours/ns, 31.509 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    | 31.44      | 31.44      | 31.44      |   0.0 | 99.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034044   | 0.034044   | 0.034044   |   0.0 |  0.11
Output  | 9.2293e-05 | 9.2293e-05 | 9.2293e-05 |   0.0 |  0.00
Modify  | 0.23985    | 0.23985    | 0.23985    |   0.0 |  0.76
Other   |            | 0.02319    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687680 ave      687680 max      687680 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687680
Ave neighs/atom = 85.96
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58303.458     -58303.458     -58628.488     -58628.488      314.35636      314.35636      45301.466      45301.466      194.53384      194.53384    
      4000  -58306.354     -58306.354     -58630.635     -58630.635      313.63183      313.63183      45309.06       45309.06      -622.84289     -622.84289    
Loop time of 31.7358 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.722 ns/day, 8.816 hours/ns, 31.510 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    | 31.439     | 31.439     | 31.439     |   0.0 | 99.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033944   | 0.033944   | 0.033944   |   0.0 |  0.11
Output  | 9.568e-05  | 9.568e-05  | 9.568e-05  |   0.0 |  0.00
Modify  | 0.23981    | 0.23981    | 0.23981    |   0.0 |  0.76
Other   |            | 0.02321    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687668 ave      687668 max      687668 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687668
Ave neighs/atom = 85.9585
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58306.354     -58306.354     -58630.635     -58630.635      313.63183      313.63183      45309.06       45309.06      -622.84289     -622.84289    
      5000  -58311.454     -58311.454     -58633.621     -58633.621      311.58878      311.58878      45277.835      45277.835      2064.463       2064.463     
Loop time of 31.6645 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.729 ns/day, 8.796 hours/ns, 31.581 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    | 31.366     | 31.366     | 31.366     |   0.0 | 99.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033894   | 0.033894   | 0.033894   |   0.0 |  0.11
Output  | 7.0933e-05 | 7.0933e-05 | 7.0933e-05 |   0.0 |  0.00
Modify  | 0.24092    | 0.24092    | 0.24092    |   0.0 |  0.76
Other   |            | 0.02321    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687674 ave      687674 max      687674 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687674
Ave neighs/atom = 85.95925
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.453325455557, Press = -588.381980581428
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58311.454     -58311.454     -58633.621     -58633.621      311.58878      311.58878      45277.835      45277.835      2064.463       2064.463     
      6000  -58301.159     -58301.159     -58625.589     -58625.589      313.77616      313.77616      45344.056      45344.056     -3761.2904     -3761.2904    
Loop time of 31.6483 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.730 ns/day, 8.791 hours/ns, 31.597 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    | 31.343     | 31.343     | 31.343     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033942   | 0.033942   | 0.033942   |   0.0 |  0.11
Output  | 7.6373e-05 | 7.6373e-05 | 7.6373e-05 |   0.0 |  0.00
Modify  | 0.24803    | 0.24803    | 0.24803    |   0.0 |  0.78
Other   |            | 0.02338    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687676 ave      687676 max      687676 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687676
Ave neighs/atom = 85.9595
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.734725036061, Press = -65.2097802918653
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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   
      6000  -58301.159     -58301.159     -58625.589     -58625.589      313.77616      313.77616      45344.056      45344.056     -3761.2904     -3761.2904    
      7000  -58312.995     -58312.995     -58633.981     -58633.981      310.44588      310.44588      45264.009      45264.009      3245.1006      3245.1006    
Loop time of 31.6407 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.731 ns/day, 8.789 hours/ns, 31.605 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    | 31.336     | 31.336     | 31.336     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034097   | 0.034097   | 0.034097   |   0.0 |  0.11
Output  | 4.8351e-05 | 4.8351e-05 | 4.8351e-05 |   0.0 |  0.00
Modify  | 0.24789    | 0.24789    | 0.24789    |   0.0 |  0.78
Other   |            | 0.02317    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687552 ave      687552 max      687552 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687552
Ave neighs/atom = 85.944
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.970958284222, Press = 18.0748209207279
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58312.995     -58312.995     -58633.981     -58633.981      310.44588      310.44588      45264.009      45264.009      3245.1006      3245.1006    
      8000  -58303.081     -58303.081     -58633.849     -58633.849      319.90641      319.90641      45311.131      45311.131     -999.76753     -999.76753    
Loop time of 31.6431 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.730 ns/day, 8.790 hours/ns, 31.603 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    | 31.338     | 31.338     | 31.338     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033912   | 0.033912   | 0.033912   |   0.0 |  0.11
Output  | 8.1273e-05 | 8.1273e-05 | 8.1273e-05 |   0.0 |  0.00
Modify  | 0.24749    | 0.24749    | 0.24749    |   0.0 |  0.78
Other   |            | 0.02328    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687674 ave      687674 max      687674 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687674
Ave neighs/atom = 85.95925
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.099220232822, Press = -35.1948693339491
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58303.081     -58303.081     -58633.849     -58633.849      319.90641      319.90641      45311.131      45311.131     -999.76753     -999.76753    
      9000  -58309.023     -58309.023     -58630.831     -58630.831      311.24083      311.24083      45306.459      45306.459     -553.87528     -553.87528    
Loop time of 31.6029 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.734 ns/day, 8.779 hours/ns, 31.643 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    | 31.298     | 31.298     | 31.298     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033986   | 0.033986   | 0.033986   |   0.0 |  0.11
Output  | 4.8371e-05 | 4.8371e-05 | 4.8371e-05 |   0.0 |  0.00
Modify  | 0.24739    | 0.24739    | 0.24739    |   0.0 |  0.78
Other   |            | 0.02331    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687636 ave      687636 max      687636 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687636
Ave neighs/atom = 85.9545
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.012003243513, Press = -3.34291036725601
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58309.023     -58309.023     -58630.831     -58630.831      311.24083      311.24083      45306.459      45306.459     -553.87528     -553.87528    
     10000  -58310.03      -58310.03      -58636.807     -58636.807      316.04636      316.04636      45287.642      45287.642      919.92752      919.92752    
Loop time of 31.6564 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.729 ns/day, 8.793 hours/ns, 31.589 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    | 31.351     | 31.351     | 31.351     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033887   | 0.033887   | 0.033887   |   0.0 |  0.11
Output  | 7.5161e-05 | 7.5161e-05 | 7.5161e-05 |   0.0 |  0.00
Modify  | 0.24769    | 0.24769    | 0.24769    |   0.0 |  0.78
Other   |            | 0.02338    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687612 ave      687612 max      687612 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687612
Ave neighs/atom = 85.9515
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.120869519213, Press = -12.1455595520426
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58310.03      -58310.03      -58636.807     -58636.807      316.04636      316.04636      45287.642      45287.642      919.92752      919.92752    
     11000  -58301.105     -58301.105     -58625.278     -58625.278      313.52803      313.52803      45324.45       45324.45      -1847.8891     -1847.8891    
Loop time of 31.6452 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.730 ns/day, 8.790 hours/ns, 31.600 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    | 31.34      | 31.34      | 31.34      |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034161   | 0.034161   | 0.034161   |   0.0 |  0.11
Output  | 4.9323e-05 | 4.9323e-05 | 4.9323e-05 |   0.0 |  0.00
Modify  | 0.24764    | 0.24764    | 0.24764    |   0.0 |  0.78
Other   |            | 0.02341    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687664 ave      687664 max      687664 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687664
Ave neighs/atom = 85.958
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.120106143547, Press = -7.52651091055918
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58301.105     -58301.105     -58625.278     -58625.278      313.52803      313.52803      45324.45       45324.45      -1847.8891     -1847.8891    
     12000  -58309.289     -58309.289     -58632.425     -58632.425      312.52514      312.52514      45279.222      45279.222      1949.8324      1949.8324    
Loop time of 31.6725 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.728 ns/day, 8.798 hours/ns, 31.573 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    | 31.368     | 31.368     | 31.368     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033772   | 0.033772   | 0.033772   |   0.0 |  0.11
Output  | 7.3638e-05 | 7.3638e-05 | 7.3638e-05 |   0.0 |  0.00
Modify  | 0.24736    | 0.24736    | 0.24736    |   0.0 |  0.78
Other   |            | 0.02331    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687582 ave      687582 max      687582 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687582
Ave neighs/atom = 85.94775
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.271729915216, Press = -2.88006074013479
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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   
     12000  -58309.289     -58309.289     -58632.425     -58632.425      312.52514      312.52514      45279.222      45279.222      1949.8324      1949.8324    
     13000  -58302.266     -58302.266     -58627.438     -58627.438      314.49425      314.49425      45321.172      45321.172     -1612.061      -1612.061     
Loop time of 31.6854 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.727 ns/day, 8.801 hours/ns, 31.560 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    | 31.381     | 31.381     | 31.381     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033993   | 0.033993   | 0.033993   |   0.0 |  0.11
Output  | 4.9954e-05 | 4.9954e-05 | 4.9954e-05 |   0.0 |  0.00
Modify  | 0.24735    | 0.24735    | 0.24735    |   0.0 |  0.78
Other   |            | 0.02336    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687680 ave      687680 max      687680 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687680
Ave neighs/atom = 85.96
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.395687863773, Press = -12.1605536115641
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58302.266     -58302.266     -58627.438     -58627.438      314.49425      314.49425      45321.172      45321.172     -1612.061      -1612.061     
     14000  -58311.621     -58311.621     -58635.11      -58635.11       312.86707      312.86707      45294.856      45294.856      312.71814      312.71814    
Loop time of 31.6224 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.732 ns/day, 8.784 hours/ns, 31.623 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    | 31.318     | 31.318     | 31.318     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033984   | 0.033984   | 0.033984   |   0.0 |  0.11
Output  | 7.8939e-05 | 7.8939e-05 | 7.8939e-05 |   0.0 |  0.00
Modify  | 0.24735    | 0.24735    | 0.24735    |   0.0 |  0.78
Other   |            | 0.02343    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687628 ave      687628 max      687628 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687628
Ave neighs/atom = 85.9535
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.343449065123, Press = 2.84466233508058
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58311.621     -58311.621     -58635.11      -58635.11       312.86707      312.86707      45294.856      45294.856      312.71814      312.71814    
     15000  -58310.472     -58310.472     -58632.742     -58632.742      311.68762      311.68762      45288.016      45288.016      1064.8147      1064.8147    
Loop time of 31.5897 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.735 ns/day, 8.775 hours/ns, 31.656 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    | 31.285     | 31.285     | 31.285     |   0.0 | 99.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034108   | 0.034108   | 0.034108   |   0.0 |  0.11
Output  | 6.923e-05  | 6.923e-05  | 6.923e-05  |   0.0 |  0.00
Modify  | 0.24753    | 0.24753    | 0.24753    |   0.0 |  0.78
Other   |            | 0.02342    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687628 ave      687628 max      687628 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687628
Ave neighs/atom = 85.9535
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.312691524858, Press = -10.8114685168288
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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   
     15000  -58310.472     -58310.472     -58632.742     -58632.742      311.68762      311.68762      45288.016      45288.016      1064.8147      1064.8147    
     16000  -58307.513     -58307.513     -58628.717     -58628.717      310.65635      310.65635      45325.074      45325.074     -2208.3637     -2208.3637    
Loop time of 31.6545 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.729 ns/day, 8.793 hours/ns, 31.591 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    | 31.35      | 31.35      | 31.35      |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033894   | 0.033894   | 0.033894   |   0.0 |  0.11
Output  | 4.8541e-05 | 4.8541e-05 | 4.8541e-05 |   0.0 |  0.00
Modify  | 0.24735    | 0.24735    | 0.24735    |   0.0 |  0.78
Other   |            | 0.02337    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687644 ave      687644 max      687644 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687644
Ave neighs/atom = 85.9555
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.146005380639, Press = -0.377958428558601
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58307.513     -58307.513     -58628.717     -58628.717      310.65635      310.65635      45325.074      45325.074     -2208.3637     -2208.3637    
     17000  -58311.385     -58311.385     -58633.86      -58633.86       311.8859       311.8859       45265.194      45265.194      3292.0087      3292.0087    
Loop time of 31.6022 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.734 ns/day, 8.778 hours/ns, 31.643 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    | 31.297     | 31.297     | 31.297     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034101   | 0.034101   | 0.034101   |   0.0 |  0.11
Output  | 7.6443e-05 | 7.6443e-05 | 7.6443e-05 |   0.0 |  0.00
Modify  | 0.24747    | 0.24747    | 0.24747    |   0.0 |  0.78
Other   |            | 0.02329    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687632 ave      687632 max      687632 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687632
Ave neighs/atom = 85.954
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.136227932123, Press = -4.26587651439083
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58311.385     -58311.385     -58633.86      -58633.86       311.8859       311.8859       45265.194      45265.194      3292.0087      3292.0087    
     18000  -58303.809     -58303.809     -58630.828     -58630.828      316.28074      316.28074      45329.451      45329.451     -2720.1581     -2720.1581    
Loop time of 31.6054 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.734 ns/day, 8.779 hours/ns, 31.640 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    | 31.303     | 31.303     | 31.303     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033443   | 0.033443   | 0.033443   |   0.0 |  0.11
Output  | 5.2338e-05 | 5.2338e-05 | 5.2338e-05 |   0.0 |  0.00
Modify  | 0.2461     | 0.2461     | 0.2461     |   0.0 |  0.78
Other   |            | 0.02331    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687718 ave      687718 max      687718 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687718
Ave neighs/atom = 85.96475
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.021756980699, Press = -5.78532250168084
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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   
     18000  -58303.809     -58303.809     -58630.828     -58630.828      316.28074      316.28074      45329.451      45329.451     -2720.1581     -2720.1581    
     19000  -58310.234     -58310.234     -58637.145     -58637.145      316.17637      316.17637      45291.936      45291.936      430.11252      430.11252    
Loop time of 31.6161 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.733 ns/day, 8.782 hours/ns, 31.629 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    | 31.313     | 31.313     | 31.313     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03353    | 0.03353    | 0.03353    |   0.0 |  0.11
Output  | 7.2627e-05 | 7.2627e-05 | 7.2627e-05 |   0.0 |  0.00
Modify  | 0.24657    | 0.24657    | 0.24657    |   0.0 |  0.78
Other   |            | 0.0232     |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687634 ave      687634 max      687634 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687634
Ave neighs/atom = 85.95425
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.021238533241, Press = -1.63517339951922
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58310.234     -58310.234     -58637.145     -58637.145      316.17637      316.17637      45291.936      45291.936      430.11252      430.11252    
     20000  -58303.574     -58303.574     -58628.733     -58628.733      314.48256      314.48256      45304.068      45304.068     -108.41799     -108.41799    
Loop time of 31.6407 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.731 ns/day, 8.789 hours/ns, 31.605 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    | 31.337     | 31.337     | 31.337     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033615   | 0.033615   | 0.033615   |   0.0 |  0.11
Output  | 4.8891e-05 | 4.8891e-05 | 4.8891e-05 |   0.0 |  0.00
Modify  | 0.24688    | 0.24688    | 0.24688    |   0.0 |  0.78
Other   |            | 0.02304    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687698 ave      687698 max      687698 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687698
Ave neighs/atom = 85.96225
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.019444144746, Press = -4.49695567258689
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58303.574     -58303.574     -58628.733     -58628.733      314.48256      314.48256      45304.068      45304.068     -108.41799     -108.41799    
     21000  -58306.276     -58306.276     -58629.855     -58629.855      312.95423      312.95423      45310.823      45310.823     -813.69795     -813.69795    
Loop time of 31.585 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.735 ns/day, 8.774 hours/ns, 31.661 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    | 31.282     | 31.282     | 31.282     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033478   | 0.033478   | 0.033478   |   0.0 |  0.11
Output  | 7.8157e-05 | 7.8157e-05 | 7.8157e-05 |   0.0 |  0.00
Modify  | 0.24652    | 0.24652    | 0.24652    |   0.0 |  0.78
Other   |            | 0.02327    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687616 ave      687616 max      687616 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687616
Ave neighs/atom = 85.952
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.990504504547, Press = -2.03075310727924
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58306.276     -58306.276     -58629.855     -58629.855      312.95423      312.95423      45310.823      45310.823     -813.69795     -813.69795    
     22000  -58306.227     -58306.227     -58632.302     -58632.302      315.36779      315.36779      45280.545      45280.545      1961.6904      1961.6904    
Loop time of 31.648 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.730 ns/day, 8.791 hours/ns, 31.598 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    | 31.345     | 31.345     | 31.345     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033749   | 0.033749   | 0.033749   |   0.0 |  0.11
Output  | 4.8642e-05 | 4.8642e-05 | 4.8642e-05 |   0.0 |  0.00
Modify  | 0.24656    | 0.24656    | 0.24656    |   0.0 |  0.78
Other   |            | 0.02313    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687620 ave      687620 max      687620 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687620
Ave neighs/atom = 85.9525
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.955419264025, Press = -2.87901030133265
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58306.227     -58306.227     -58632.302     -58632.302      315.36779      315.36779      45280.545      45280.545      1961.6904      1961.6904    
     23000  -58306.299     -58306.299     -58629.031     -58629.031      312.13381      312.13381      45339.319      45339.319     -3616.689      -3616.689     
Loop time of 31.5774 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.736 ns/day, 8.772 hours/ns, 31.668 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    | 31.274     | 31.274     | 31.274     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033582   | 0.033582   | 0.033582   |   0.0 |  0.11
Output  | 7.5372e-05 | 7.5372e-05 | 7.5372e-05 |   0.0 |  0.00
Modify  | 0.24641    | 0.24641    | 0.24641    |   0.0 |  0.78
Other   |            | 0.02325    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687620 ave      687620 max      687620 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687620
Ave neighs/atom = 85.9525
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.894072337268, Press = -5.06637089573316
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58306.299     -58306.299     -58629.031     -58629.031      312.13381      312.13381      45339.319      45339.319     -3616.689      -3616.689     
     24000  -58304.238     -58304.238     -58626.258     -58626.258      311.44564      311.44564      45278.819      45278.819      2422.0508      2422.0508    
Loop time of 31.6601 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.729 ns/day, 8.794 hours/ns, 31.585 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    | 31.356     | 31.356     | 31.356     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033719   | 0.033719   | 0.033719   |   0.0 |  0.11
Output  | 4.8642e-05 | 4.8642e-05 | 4.8642e-05 |   0.0 |  0.00
Modify  | 0.24671    | 0.24671    | 0.24671    |   0.0 |  0.78
Other   |            | 0.02314    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687616 ave      687616 max      687616 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687616
Ave neighs/atom = 85.952
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.90502917446, Press = 1.69383864553216
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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   
     24000  -58304.238     -58304.238     -58626.258     -58626.258      311.44564      311.44564      45278.819      45278.819      2422.0508      2422.0508    
     25000  -58299.604     -58299.604     -58626.007     -58626.007      315.68529      315.68529      45305.62       45305.62       3.5058318      3.5058318    
Loop time of 31.5946 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.735 ns/day, 8.776 hours/ns, 31.651 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    | 31.291     | 31.291     | 31.291     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033468   | 0.033468   | 0.033468   |   0.0 |  0.11
Output  | 7.7155e-05 | 7.7155e-05 | 7.7155e-05 |   0.0 |  0.00
Modify  | 0.24641    | 0.24641    | 0.24641    |   0.0 |  0.78
Other   |            | 0.02328    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687646 ave      687646 max      687646 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687646
Ave neighs/atom = 85.95575
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.909348992743, Press = -5.02404306348459
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58299.604     -58299.604     -58626.007     -58626.007      315.68529      315.68529      45305.62       45305.62       3.5058318      3.5058318    
     26000  -58307.623     -58307.623     -58628.578     -58628.578      310.41628      310.41628      45307.232      45307.232     -396.14617     -396.14617    
Loop time of 31.6224 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.732 ns/day, 8.784 hours/ns, 31.623 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    | 31.319     | 31.319     | 31.319     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033631   | 0.033631   | 0.033631   |   0.0 |  0.11
Output  | 4.8862e-05 | 4.8862e-05 | 4.8862e-05 |   0.0 |  0.00
Modify  | 0.24658    | 0.24658    | 0.24658    |   0.0 |  0.78
Other   |            | 0.02309    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687622 ave      687622 max      687622 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687622
Ave neighs/atom = 85.95275
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.984769543934, Press = -0.698151888047878
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58307.623     -58307.623     -58628.578     -58628.578      310.41628      310.41628      45307.232      45307.232     -396.14617     -396.14617    
     27000  -58305.293     -58305.293     -58632.503     -58632.503      316.46553      316.46553      45295.313      45295.313      524.2533       524.2533     
Loop time of 31.6708 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.728 ns/day, 8.797 hours/ns, 31.575 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    | 31.367     | 31.367     | 31.367     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033587   | 0.033587   | 0.033587   |   0.0 |  0.11
Output  | 8.4349e-05 | 8.4349e-05 | 8.4349e-05 |   0.0 |  0.00
Modify  | 0.24639    | 0.24639    | 0.24639    |   0.0 |  0.78
Other   |            | 0.02324    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687588 ave      687588 max      687588 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687588
Ave neighs/atom = 85.9485
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.992037235319, Press = -2.7000050178405
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58305.293     -58305.293     -58632.503     -58632.503      316.46553      316.46553      45295.313      45295.313      524.2533       524.2533     
     28000  -58313.853     -58313.853     -58631.318     -58631.318      307.04037      307.04037      45300.569      45300.569     -86.788547     -86.788547    
Loop time of 31.6523 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.730 ns/day, 8.792 hours/ns, 31.593 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    | 31.349     | 31.349     | 31.349     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033528   | 0.033528   | 0.033528   |   0.0 |  0.11
Output  | 4.8622e-05 | 4.8622e-05 | 4.8622e-05 |   0.0 |  0.00
Modify  | 0.24687    | 0.24687    | 0.24687    |   0.0 |  0.78
Other   |            | 0.02311    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687658 ave      687658 max      687658 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687658
Ave neighs/atom = 85.95725
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.964337371647, Press = -1.96972083977526
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58313.853     -58313.853     -58631.318     -58631.318      307.04037      307.04037      45300.569      45300.569     -86.788547     -86.788547    
     29000  -58304.684     -58304.684     -58628.547     -58628.547      313.22842      313.22842      45301.907      45301.907      121.28013      121.28013    
Loop time of 31.6509 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.730 ns/day, 8.792 hours/ns, 31.595 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    | 31.347     | 31.347     | 31.347     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0334     | 0.0334     | 0.0334     |   0.0 |  0.11
Output  | 7.8398e-05 | 7.8398e-05 | 7.8398e-05 |   0.0 |  0.00
Modify  | 0.24674    | 0.24674    | 0.24674    |   0.0 |  0.78
Other   |            | 0.02327    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687630 ave      687630 max      687630 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687630
Ave neighs/atom = 85.95375
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.956715017065, Press = -2.00364226395808
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58304.684     -58304.684     -58628.547     -58628.547      313.22842      313.22842      45301.907      45301.907      121.28013      121.28013    
     30000  -58313.449     -58313.449     -58632.108     -58632.108      308.19461      308.19461      45300.952      45300.952     -190.35866     -190.35866    
Loop time of 31.6965 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.726 ns/day, 8.805 hours/ns, 31.549 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    | 31.393     | 31.393     | 31.393     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033561   | 0.033561   | 0.033561   |   0.0 |  0.11
Output  | 4.8932e-05 | 4.8932e-05 | 4.8932e-05 |   0.0 |  0.00
Modify  | 0.24693    | 0.24693    | 0.24693    |   0.0 |  0.78
Other   |            | 0.02314    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687578 ave      687578 max      687578 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687578
Ave neighs/atom = 85.94725
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.91871604553, Press = -2.65344419574549
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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   
     30000  -58313.449     -58313.449     -58632.108     -58632.108      308.19461      308.19461      45300.952      45300.952     -190.35866     -190.35866    
     31000  -58306.338     -58306.338     -58632.228     -58632.228      315.18904      315.18904      45300.536      45300.536     -71.657555     -71.657555    
Loop time of 31.7417 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.722 ns/day, 8.817 hours/ns, 31.504 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    | 31.438     | 31.438     | 31.438     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033513   | 0.033513   | 0.033513   |   0.0 |  0.11
Output  | 7.434e-05  | 7.434e-05  | 7.434e-05  |   0.0 |  0.00
Modify  | 0.24669    | 0.24669    | 0.24669    |   0.0 |  0.78
Other   |            | 0.02329    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687654 ave      687654 max      687654 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687654
Ave neighs/atom = 85.95675
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.9190595, Press = -0.803698623584627
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58306.338     -58306.338     -58632.228     -58632.228      315.18904      315.18904      45300.536      45300.536     -71.657555     -71.657555    
     32000  -58307.923     -58307.923     -58632.641     -58632.641      314.05567      314.05567      45291.399      45291.399      778.21673      778.21673    
Loop time of 31.699 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.726 ns/day, 8.805 hours/ns, 31.547 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    | 31.395     | 31.395     | 31.395     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033668   | 0.033668   | 0.033668   |   0.0 |  0.11
Output  | 4.8161e-05 | 4.8161e-05 | 4.8161e-05 |   0.0 |  0.00
Modify  | 0.24716    | 0.24716    | 0.24716    |   0.0 |  0.78
Other   |            | 0.0232     |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687592 ave      687592 max      687592 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687592
Ave neighs/atom = 85.949
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.897689395992, Press = -3.17328066418329
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58307.923     -58307.923     -58632.641     -58632.641      314.05567      314.05567      45291.399      45291.399      778.21673      778.21673    
     33000  -58313.985     -58313.985     -58631.387     -58631.387      306.97887      306.97887      45326.323      45326.323     -2664.7253     -2664.7253    
Loop time of 31.7113 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.725 ns/day, 8.809 hours/ns, 31.535 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    | 31.407     | 31.407     | 31.407     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03363    | 0.03363    | 0.03363    |   0.0 |  0.11
Output  | 8.0111e-05 | 8.0111e-05 | 8.0111e-05 |   0.0 |  0.00
Modify  | 0.24722    | 0.24722    | 0.24722    |   0.0 |  0.78
Other   |            | 0.02321    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687672 ave      687672 max      687672 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687672
Ave neighs/atom = 85.959
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.899291702962, Press = -0.804130026480706
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58313.985     -58313.985     -58631.387     -58631.387      306.97887      306.97887      45326.323      45326.323     -2664.7253     -2664.7253    
     34000  -58304.67      -58304.67      -58630.933     -58630.933      315.54892      315.54892      45258.732      45258.732      4187.3281      4187.3281    
Loop time of 31.6877 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.727 ns/day, 8.802 hours/ns, 31.558 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    | 31.384     | 31.384     | 31.384     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033639   | 0.033639   | 0.033639   |   0.0 |  0.11
Output  | 7.3458e-05 | 7.3458e-05 | 7.3458e-05 |   0.0 |  0.00
Modify  | 0.24697    | 0.24697    | 0.24697    |   0.0 |  0.78
Other   |            | 0.0234     |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687590 ave      687590 max      687590 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687590
Ave neighs/atom = 85.94875
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.871765781947, Press = -1.46359146961582
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58304.67      -58304.67      -58630.933     -58630.933      315.54892      315.54892      45258.732      45258.732      4187.3281      4187.3281    
     35000  -58315.916     -58315.916     -58633.537     -58633.537      307.19169      307.19169      45324.957      45324.957     -2657.4214     -2657.4214    
Loop time of 31.6853 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.727 ns/day, 8.801 hours/ns, 31.560 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    | 31.382     | 31.382     | 31.382     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03352    | 0.03352    | 0.03352    |   0.0 |  0.11
Output  | 4.8901e-05 | 4.8901e-05 | 4.8901e-05 |   0.0 |  0.00
Modify  | 0.24687    | 0.24687    | 0.24687    |   0.0 |  0.78
Other   |            | 0.02336    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687682 ave      687682 max      687682 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687682
Ave neighs/atom = 85.96025
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.86191760344, Press = -3.31646165196682
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58315.916     -58315.916     -58633.537     -58633.537      307.19169      307.19169      45324.957      45324.957     -2657.4214     -2657.4214    
     36000  -58305.958     -58305.958     -58633.874     -58633.874      317.14785      317.14785      45295.753      45295.753      446.10595      446.10595    
Loop time of 31.685 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.727 ns/day, 8.801 hours/ns, 31.561 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    | 31.381     | 31.381     | 31.381     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033678   | 0.033678   | 0.033678   |   0.0 |  0.11
Output  | 7.7155e-05 | 7.7155e-05 | 7.7155e-05 |   0.0 |  0.00
Modify  | 0.24676    | 0.24676    | 0.24676    |   0.0 |  0.78
Other   |            | 0.02326    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687678 ave      687678 max      687678 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687678
Ave neighs/atom = 85.95975
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.835865401317, Press = -0.766463830819897
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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   
     36000  -58305.958     -58305.958     -58633.874     -58633.874      317.14785      317.14785      45295.753      45295.753      446.10595      446.10595    
     37000  -58310.246     -58310.246     -58635.708     -58635.708      314.77534      314.77534      45298.299      45298.299      29.688177      29.688177    
Loop time of 31.6896 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.726 ns/day, 8.803 hours/ns, 31.556 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    | 31.386     | 31.386     | 31.386     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033599   | 0.033599   | 0.033599   |   0.0 |  0.11
Output  | 5.4302e-05 | 5.4302e-05 | 5.4302e-05 |   0.0 |  0.00
Modify  | 0.24653    | 0.24653    | 0.24653    |   0.0 |  0.78
Other   |            | 0.02327    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687606 ave      687606 max      687606 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687606
Ave neighs/atom = 85.95075
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.851185729868, Press = -2.37137099457182
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58310.246     -58310.246     -58635.708     -58635.708      314.77534      314.77534      45298.299      45298.299      29.688177      29.688177    
     38000  -58300.685     -58300.685     -58626.987     -58626.987      315.58765      315.58765      45310.298      45310.298     -608.14039     -608.14039    
Loop time of 31.6281 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.732 ns/day, 8.786 hours/ns, 31.617 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    | 31.325     | 31.325     | 31.325     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033345   | 0.033345   | 0.033345   |   0.0 |  0.11
Output  | 7.3128e-05 | 7.3128e-05 | 7.3128e-05 |   0.0 |  0.00
Modify  | 0.24631    | 0.24631    | 0.24631    |   0.0 |  0.78
Other   |            | 0.02335    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687640 ave      687640 max      687640 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687640
Ave neighs/atom = 85.955
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.894304669728, Press = -1.01077044599066
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58300.685     -58300.685     -58626.987     -58626.987      315.58765      315.58765      45310.298      45310.298     -608.14039     -608.14039    
     39000  -58312.243     -58312.243     -58632.051     -58632.051      309.30679      309.30679      45278.763      45278.763      2012.2217      2012.2217    
Loop time of 31.6047 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.734 ns/day, 8.779 hours/ns, 31.641 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    | 31.302     | 31.302     | 31.302     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033569   | 0.033569   | 0.033569   |   0.0 |  0.11
Output  | 4.75e-05   | 4.75e-05   | 4.75e-05   |   0.0 |  0.00
Modify  | 0.24588    | 0.24588    | 0.24588    |   0.0 |  0.78
Other   |            | 0.02339    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687654 ave      687654 max      687654 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687654
Ave neighs/atom = 85.95675
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.911930383641, Press = -2.0937409931567
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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   
     39000  -58312.243     -58312.243     -58632.051     -58632.051      309.30679      309.30679      45278.763      45278.763      2012.2217      2012.2217    
     40000  -58306.343     -58306.343     -58627.542     -58627.542      310.65197      310.65197      45333.007      45333.007     -2910.2625     -2910.2625    
Loop time of 31.5451 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.739 ns/day, 8.763 hours/ns, 31.701 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    | 31.242     | 31.242     | 31.242     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03322    | 0.03322    | 0.03322    |   0.0 |  0.11
Output  | 7.1404e-05 | 7.1404e-05 | 7.1404e-05 |   0.0 |  0.00
Modify  | 0.24619    | 0.24619    | 0.24619    |   0.0 |  0.78
Other   |            | 0.02334    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687646 ave      687646 max      687646 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687646
Ave neighs/atom = 85.95575
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.927783017809, Press = -1.9281436358327
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58306.343     -58306.343     -58627.542     -58627.542      310.65197      310.65197      45333.007      45333.007     -2910.2625     -2910.2625    
     41000  -58309.262     -58309.262     -58632.499     -58632.499      312.62336      312.62336      45272.472      45272.472      2548.7105      2548.7105    
Loop time of 31.6083 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.733 ns/day, 8.780 hours/ns, 31.637 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    | 31.306     | 31.306     | 31.306     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033515   | 0.033515   | 0.033515   |   0.0 |  0.11
Output  | 4.773e-05  | 4.773e-05  | 4.773e-05  |   0.0 |  0.00
Modify  | 0.24578    | 0.24578    | 0.24578    |   0.0 |  0.78
Other   |            | 0.02343    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687648 ave      687648 max      687648 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687648
Ave neighs/atom = 85.956
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.948028019947, Press = 0.0147429150992821
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58309.262     -58309.262     -58632.499     -58632.499      312.62336      312.62336      45272.472      45272.472      2548.7105      2548.7105    
     42000  -58302.978     -58302.978     -58629.374     -58629.374      315.6784       315.6784       45314.267      45314.267     -1074.5221     -1074.5221    
Loop time of 31.608 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.733 ns/day, 8.780 hours/ns, 31.638 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    | 31.305     | 31.305     | 31.305     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033472   | 0.033472   | 0.033472   |   0.0 |  0.11
Output  | 7.3037e-05 | 7.3037e-05 | 7.3037e-05 |   0.0 |  0.00
Modify  | 0.24627    | 0.24627    | 0.24627    |   0.0 |  0.78
Other   |            | 0.02362    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687706 ave      687706 max      687706 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687706
Ave neighs/atom = 85.96325
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.984054083572, Press = -3.48749392041119
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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   
     42000  -58302.978     -58302.978     -58629.374     -58629.374      315.6784       315.6784       45314.267      45314.267     -1074.5221     -1074.5221    
     43000  -58305.003     -58305.003     -58630.403     -58630.403      314.71514      314.71514      45304.054      45304.054     -263.97006     -263.97006    
Loop time of 31.5639 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.737 ns/day, 8.768 hours/ns, 31.682 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    | 31.261     | 31.261     | 31.261     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033266   | 0.033266   | 0.033266   |   0.0 |  0.11
Output  | 4.8261e-05 | 4.8261e-05 | 4.8261e-05 |   0.0 |  0.00
Modify  | 0.24591    | 0.24591    | 0.24591    |   0.0 |  0.78
Other   |            | 0.02354    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687652 ave      687652 max      687652 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687652
Ave neighs/atom = 85.9565
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.980637108183, Press = -0.222949451369836
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58305.003     -58305.003     -58630.403     -58630.403      314.71514      314.71514      45304.054      45304.054     -263.97006     -263.97006    
     44000  -58304.088     -58304.088     -58632.532     -58632.532      317.65883      317.65883      45297.3        45297.3        393.47155      393.47155    
Loop time of 31.5701 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.737 ns/day, 8.769 hours/ns, 31.676 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    | 31.267     | 31.267     | 31.267     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033333   | 0.033333   | 0.033333   |   0.0 |  0.11
Output  | 7.0061e-05 | 7.0061e-05 | 7.0061e-05 |   0.0 |  0.00
Modify  | 0.24616    | 0.24616    | 0.24616    |   0.0 |  0.78
Other   |            | 0.02353    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687660 ave      687660 max      687660 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687660
Ave neighs/atom = 85.9575
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.016573290784, Press = -1.80640765638758
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58304.088     -58304.088     -58632.532     -58632.532      317.65883      317.65883      45297.3        45297.3        393.47155      393.47155    
     45000  -58304.992     -58304.992     -58631.57      -58631.57       315.85419      315.85419      45310.638      45310.638     -865.70797     -865.70797    
Loop time of 31.5427 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.739 ns/day, 8.762 hours/ns, 31.703 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    | 31.24      | 31.24      | 31.24      |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03334    | 0.03334    | 0.03334    |   0.0 |  0.11
Output  | 4.7048e-05 | 4.7048e-05 | 4.7048e-05 |   0.0 |  0.00
Modify  | 0.246      | 0.246      | 0.246      |   0.0 |  0.78
Other   |            | 0.02331    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687634 ave      687634 max      687634 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687634
Ave neighs/atom = 85.95425
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.034649261216, Press = -1.2152131336476
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58304.992     -58304.992     -58631.57      -58631.57       315.85419      315.85419      45310.638      45310.638     -865.70797     -865.70797    
     46000  -58311.662     -58311.662     -58632.012     -58632.012      309.83039      309.83039      45287.83       45287.83       1156.9706      1156.9706    
Loop time of 31.6141 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.733 ns/day, 8.782 hours/ns, 31.631 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    | 31.312     | 31.312     | 31.312     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033389   | 0.033389   | 0.033389   |   0.0 |  0.11
Output  | 7.9189e-05 | 7.9189e-05 | 7.9189e-05 |   0.0 |  0.00
Modify  | 0.24578    | 0.24578    | 0.24578    |   0.0 |  0.78
Other   |            | 0.02327    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687670 ave      687670 max      687670 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687670
Ave neighs/atom = 85.95875
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.042437556138, Press = -1.01051629660032
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58311.662     -58311.662     -58632.012     -58632.012      309.83039      309.83039      45287.83       45287.83       1156.9706      1156.9706    
     47000  -58306.98      -58306.98      -58629.403     -58629.403      311.8354       311.8354       45321.584      45321.584     -1779.3774     -1779.3774    
Loop time of 31.5715 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.737 ns/day, 8.770 hours/ns, 31.674 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    | 31.268     | 31.268     | 31.268     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033472   | 0.033472   | 0.033472   |   0.0 |  0.11
Output  | 4.8241e-05 | 4.8241e-05 | 4.8241e-05 |   0.0 |  0.00
Modify  | 0.24615    | 0.24615    | 0.24615    |   0.0 |  0.78
Other   |            | 0.02334    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687640 ave      687640 max      687640 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687640
Ave neighs/atom = 85.955
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.039225742127, Press = -2.65345202458068
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58306.98      -58306.98      -58629.403     -58629.403      311.8354       311.8354       45321.584      45321.584     -1779.3774     -1779.3774    
     48000  -58307.555     -58307.555     -58631.132     -58631.132      312.95112      312.95112      45293.831      45293.831      730.33631      730.33631    
Loop time of 31.6482 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.730 ns/day, 8.791 hours/ns, 31.597 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    | 31.345     | 31.345     | 31.345     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033548   | 0.033548   | 0.033548   |   0.0 |  0.11
Output  | 7.1825e-05 | 7.1825e-05 | 7.1825e-05 |   0.0 |  0.00
Modify  | 0.24562    | 0.24562    | 0.24562    |   0.0 |  0.78
Other   |            | 0.02344    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687626 ave      687626 max      687626 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687626
Ave neighs/atom = 85.95325
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.030064824757, Press = 0.377710431369572
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58307.555     -58307.555     -58631.132     -58631.132      312.95112      312.95112      45293.831      45293.831      730.33631      730.33631    
     49000  -58311.366     -58311.366     -58636.133     -58636.133      314.10314      314.10314      45291.26       45291.26       524.42181      524.42181    
Loop time of 31.5759 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.736 ns/day, 8.771 hours/ns, 31.670 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    | 31.274     | 31.274     | 31.274     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033446   | 0.033446   | 0.033446   |   0.0 |  0.11
Output  | 4.806e-05  | 4.806e-05  | 4.806e-05  |   0.0 |  0.00
Modify  | 0.24561    | 0.24561    | 0.24561    |   0.0 |  0.78
Other   |            | 0.02326    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687670 ave      687670 max      687670 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687670
Ave neighs/atom = 85.95875
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.031406360726, Press = -2.91532043258327
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58311.366     -58311.366     -58636.133     -58636.133      314.10314      314.10314      45291.26       45291.26       524.42181      524.42181    
     50000  -58306.572     -58306.572     -58629.695     -58629.695      312.51287      312.51287      45321.509      45321.509     -1913.622      -1913.622     
Loop time of 31.6025 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.734 ns/day, 8.778 hours/ns, 31.643 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    | 31.3       | 31.3       | 31.3       |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033368   | 0.033368   | 0.033368   |   0.0 |  0.11
Output  | 7.0933e-05 | 7.0933e-05 | 7.0933e-05 |   0.0 |  0.00
Modify  | 0.24585    | 0.24585    | 0.24585    |   0.0 |  0.78
Other   |            | 0.02338    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687698 ave      687698 max      687698 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687698
Ave neighs/atom = 85.96225
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.035249006064, Press = -0.424836108974125
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58306.572     -58306.572     -58629.695     -58629.695      312.51287      312.51287      45321.509      45321.509     -1913.622      -1913.622     
     51000  -58313.458     -58313.458     -58633.572     -58633.572      309.60265      309.60265      45276.423      45276.423      2090.938       2090.938     
Loop time of 31.6165 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.733 ns/day, 8.782 hours/ns, 31.629 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    | 31.314     | 31.314     | 31.314     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03344    | 0.03344    | 0.03344    |   0.0 |  0.11
Output  | 5.9371e-05 | 5.9371e-05 | 5.9371e-05 |   0.0 |  0.00
Modify  | 0.24628    | 0.24628    | 0.24628    |   0.0 |  0.78
Other   |            | 0.02319    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687604 ave      687604 max      687604 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687604
Ave neighs/atom = 85.9505
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.025623944904, Press = -1.22647418660618
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58313.458     -58313.458     -58633.572     -58633.572      309.60265      309.60265      45276.423      45276.423      2090.938       2090.938     
     52000  -58306.815     -58306.815     -58631.324     -58631.324      313.85377      313.85377      45315.509      45315.509     -1446.7406     -1446.7406    
Loop time of 31.5816 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.736 ns/day, 8.773 hours/ns, 31.664 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    | 31.279     | 31.279     | 31.279     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033445   | 0.033445   | 0.033445   |   0.0 |  0.11
Output  | 4.7609e-05 | 4.7609e-05 | 4.7609e-05 |   0.0 |  0.00
Modify  | 0.24615    | 0.24615    | 0.24615    |   0.0 |  0.78
Other   |            | 0.02313    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687648 ave      687648 max      687648 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687648
Ave neighs/atom = 85.956
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.01839002382, Press = -1.67204967743462
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58306.815     -58306.815     -58631.324     -58631.324      313.85377      313.85377      45315.509      45315.509     -1446.7406     -1446.7406    
     53000  -58311.615     -58311.615     -58637.072     -58637.072      314.76994      314.76994      45292.743      45292.743      388.35258      388.35258    
Loop time of 31.6216 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.732 ns/day, 8.784 hours/ns, 31.624 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    | 31.319     | 31.319     | 31.319     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033394   | 0.033394   | 0.033394   |   0.0 |  0.11
Output  | 6.91e-05   | 6.91e-05   | 6.91e-05   |   0.0 |  0.00
Modify  | 0.24639    | 0.24639    | 0.24639    |   0.0 |  0.78
Other   |            | 0.0231     |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687660 ave      687660 max      687660 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687660
Ave neighs/atom = 85.9575
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.989956370522, Press = -0.625395727461782
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58311.615     -58311.615     -58637.072     -58637.072      314.76994      314.76994      45292.743      45292.743      388.35258      388.35258    
     54000  -58304.697     -58304.697     -58632.769     -58632.769      317.29867      317.29867      45302.338      45302.338     -166.46529     -166.46529    
Loop time of 31.6036 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.734 ns/day, 8.779 hours/ns, 31.642 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    | 31.301     | 31.301     | 31.301     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033303   | 0.033303   | 0.033303   |   0.0 |  0.11
Output  | 4.9934e-05 | 4.9934e-05 | 4.9934e-05 |   0.0 |  0.00
Modify  | 0.2463     | 0.2463     | 0.2463     |   0.0 |  0.78
Other   |            | 0.02337    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687678 ave      687678 max      687678 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687678
Ave neighs/atom = 85.95975
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.975174531389, Press = -1.69090272333551
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58304.697     -58304.697     -58632.769     -58632.769      317.29867      317.29867      45302.338      45302.338     -166.46529     -166.46529    
     55000  -58304.213     -58304.213     -58629.717     -58629.717      314.81519      314.81519      45314.51       45314.51      -1086.2804     -1086.2804    
Loop time of 31.6126 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.733 ns/day, 8.781 hours/ns, 31.633 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    | 31.31      | 31.31      | 31.31      |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033679   | 0.033679   | 0.033679   |   0.0 |  0.11
Output  | 7.426e-05  | 7.426e-05  | 7.426e-05  |   0.0 |  0.00
Modify  | 0.24589    | 0.24589    | 0.24589    |   0.0 |  0.78
Other   |            | 0.02324    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687670 ave      687670 max      687670 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687670
Ave neighs/atom = 85.95875
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.960482816249, Press = -0.44462632016848
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58304.213     -58304.213     -58629.717     -58629.717      314.81519      314.81519      45314.51       45314.51      -1086.2804     -1086.2804    
     56000  -58306.532     -58306.532     -58636.941     -58636.941      319.55922      319.55922      45259.191      45259.191      3866.4498      3866.4498    
Loop time of 31.6267 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.732 ns/day, 8.785 hours/ns, 31.619 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    | 31.324     | 31.324     | 31.324     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0334     | 0.0334     | 0.0334     |   0.0 |  0.11
Output  | 5.4412e-05 | 5.4412e-05 | 5.4412e-05 |   0.0 |  0.00
Modify  | 0.24605    | 0.24605    | 0.24605    |   0.0 |  0.78
Other   |            | 0.02313    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687622 ave      687622 max      687622 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687622
Ave neighs/atom = 85.95275
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.974093638327, Press = -1.7007363170735
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58306.532     -58306.532     -58636.941     -58636.941      319.55922      319.55922      45259.191      45259.191      3866.4498      3866.4498    
     57000  -58297.999     -58297.999     -58629.345     -58629.345      320.46535      320.46535      45346.094      45346.094     -4013.4023     -4013.4023    
Loop time of 31.6424 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.731 ns/day, 8.790 hours/ns, 31.603 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    | 31.339     | 31.339     | 31.339     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03334    | 0.03334    | 0.03334    |   0.0 |  0.11
Output  | 6.8559e-05 | 6.8559e-05 | 6.8559e-05 |   0.0 |  0.00
Modify  | 0.24648    | 0.24648    | 0.24648    |   0.0 |  0.78
Other   |            | 0.02339    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687750 ave      687750 max      687750 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687750
Ave neighs/atom = 85.96875
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.984396408157, Press = -1.65118027122268
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58297.999     -58297.999     -58629.345     -58629.345      320.46535      320.46535      45346.094      45346.094     -4013.4023     -4013.4023    
     58000  -58308.08      -58308.08      -58631.064     -58631.064      312.37759      312.37759      45283.696      45283.696      1616.2761      1616.2761    
Loop time of 31.6042 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.734 ns/day, 8.779 hours/ns, 31.641 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    | 31.301     | 31.301     | 31.301     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033631   | 0.033631   | 0.033631   |   0.0 |  0.11
Output  | 4.8912e-05 | 4.8912e-05 | 4.8912e-05 |   0.0 |  0.00
Modify  | 0.24606    | 0.24606    | 0.24606    |   0.0 |  0.78
Other   |            | 0.02328    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687586 ave      687586 max      687586 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687586
Ave neighs/atom = 85.94825
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.010316726541, Press = -0.229386891472338
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58308.08      -58308.08      -58631.064     -58631.064      312.37759      312.37759      45283.696      45283.696      1616.2761      1616.2761    
     59000  -58295.175     -58295.175     -58627.83      -58627.83       321.73085      321.73085      45308.893      45308.893     -265.52745     -265.52745    
Loop time of 31.6282 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.732 ns/day, 8.786 hours/ns, 31.617 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    | 31.325     | 31.325     | 31.325     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033393   | 0.033393   | 0.033393   |   0.0 |  0.11
Output  | 7.2346e-05 | 7.2346e-05 | 7.2346e-05 |   0.0 |  0.00
Modify  | 0.24624    | 0.24624    | 0.24624    |   0.0 |  0.78
Other   |            | 0.02316    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687658 ave      687658 max      687658 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687658
Ave neighs/atom = 85.95725
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.032217116251, Press = -1.71701742327843
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58295.175     -58295.175     -58627.83      -58627.83       321.73085      321.73085      45308.893      45308.893     -265.52745     -265.52745    
     60000  -58308.385     -58308.385     -58633.982     -58633.982      314.9051       314.9051       45303.288      45303.288     -436.46336     -436.46336    
Loop time of 31.6079 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.733 ns/day, 8.780 hours/ns, 31.638 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    | 31.304     | 31.304     | 31.304     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033508   | 0.033508   | 0.033508   |   0.0 |  0.11
Output  | 4.7239e-05 | 4.7239e-05 | 4.7239e-05 |   0.0 |  0.00
Modify  | 0.24665    | 0.24665    | 0.24665    |   0.0 |  0.78
Other   |            | 0.02339    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687612 ave      687612 max      687612 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687612
Ave neighs/atom = 85.9515
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.052687867612, Press = -0.733030666106036
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58308.385     -58308.385     -58633.982     -58633.982      314.9051       314.9051       45303.288      45303.288     -436.46336     -436.46336    
     61000  -58303.332     -58303.332     -58633.594     -58633.594      319.4165       319.4165       45300.545      45300.545      7.1468939      7.1468939    
Loop time of 31.6334 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.731 ns/day, 8.787 hours/ns, 31.612 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    | 31.33      | 31.33      | 31.33      |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033301   | 0.033301   | 0.033301   |   0.0 |  0.11
Output  | 7.6554e-05 | 7.6554e-05 | 7.6554e-05 |   0.0 |  0.00
Modify  | 0.24656    | 0.24656    | 0.24656    |   0.0 |  0.78
Other   |            | 0.02319    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687668 ave      687668 max      687668 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687668
Ave neighs/atom = 85.9585
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.07034003562, Press = -1.18466682014142
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58303.332     -58303.332     -58633.594     -58633.594      319.4165       319.4165       45300.545      45300.545      7.1468939      7.1468939    
     62000  -58307.842     -58307.842     -58632.314     -58632.314      313.81677      313.81677      45302.917      45302.917     -327.88818     -327.88818    
Loop time of 31.6458 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.730 ns/day, 8.791 hours/ns, 31.600 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    | 31.343     | 31.343     | 31.343     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033293   | 0.033293   | 0.033293   |   0.0 |  0.11
Output  | 0.0001099  | 0.0001099  | 0.0001099  |   0.0 |  0.00
Modify  | 0.24624    | 0.24624    | 0.24624    |   0.0 |  0.78
Other   |            | 0.02318    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687622 ave      687622 max      687622 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687622
Ave neighs/atom = 85.95275
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.071533858496, Press = -1.12186799993834
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58307.842     -58307.842     -58632.314     -58632.314      313.81677      313.81677      45302.917      45302.917     -327.88818     -327.88818    
     63000  -58300.748     -58300.748     -58627.083     -58627.083      315.61908      315.61908      45304.204      45304.204     -1.8593552     -1.8593552    
Loop time of 31.633 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.731 ns/day, 8.787 hours/ns, 31.613 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    | 31.33      | 31.33      | 31.33      |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033554   | 0.033554   | 0.033554   |   0.0 |  0.11
Output  | 7.1785e-05 | 7.1785e-05 | 7.1785e-05 |   0.0 |  0.00
Modify  | 0.2464     | 0.2464     | 0.2464     |   0.0 |  0.78
Other   |            | 0.02328    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687620 ave      687620 max      687620 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687620
Ave neighs/atom = 85.9525
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.100745120601, Press = -0.853150620767091
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58300.748     -58300.748     -58627.083     -58627.083      315.61908      315.61908      45304.204      45304.204     -1.8593552     -1.8593552    
     64000  -58302.846     -58302.846     -58627.583     -58627.583      314.07353      314.07353      45295.526      45295.526      848.80611      848.80611    
Loop time of 31.6442 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.730 ns/day, 8.790 hours/ns, 31.601 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    | 31.341     | 31.341     | 31.341     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033578   | 0.033578   | 0.033578   |   0.0 |  0.11
Output  | 5.0154e-05 | 5.0154e-05 | 5.0154e-05 |   0.0 |  0.00
Modify  | 0.24665    | 0.24665    | 0.24665    |   0.0 |  0.78
Other   |            | 0.02301    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687616 ave      687616 max      687616 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687616
Ave neighs/atom = 85.952
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.102092109524, Press = -1.59436767741816
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58302.846     -58302.846     -58627.583     -58627.583      314.07353      314.07353      45295.526      45295.526      848.80611      848.80611    
     65000  -58303.052     -58303.052     -58632.474     -58632.474      318.60414      318.60414      45323.914      45323.914     -2225.4576     -2225.4576    
Loop time of 31.7355 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.723 ns/day, 8.815 hours/ns, 31.510 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    | 31.433     | 31.433     | 31.433     |   0.0 | 99.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033353   | 0.033353   | 0.033353   |   0.0 |  0.11
Output  | 7.7396e-05 | 7.7396e-05 | 7.7396e-05 |   0.0 |  0.00
Modify  | 0.2464     | 0.2464     | 0.2464     |   0.0 |  0.78
Other   |            | 0.02306    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687616 ave      687616 max      687616 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687616
Ave neighs/atom = 85.952
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.112495113239, Press = -0.686317330945663
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58303.052     -58303.052     -58632.474     -58632.474      318.60414      318.60414      45323.914      45323.914     -2225.4576     -2225.4576    
     66000  -58316.004     -58316.004     -58629.841     -58629.841      303.53112      303.53112      45263.449      45263.449      3500.2968      3500.2968    
Loop time of 31.6353 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.731 ns/day, 8.788 hours/ns, 31.610 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    | 31.332     | 31.332     | 31.332     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03348    | 0.03348    | 0.03348    |   0.0 |  0.11
Output  | 4.9022e-05 | 4.9022e-05 | 4.9022e-05 |   0.0 |  0.00
Modify  | 0.24636    | 0.24636    | 0.24636    |   0.0 |  0.78
Other   |            | 0.0233     |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687622 ave      687622 max      687622 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687622
Ave neighs/atom = 85.95275
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.096872196617, Press = -0.863626497111979
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58316.004     -58316.004     -58629.841     -58629.841      303.53112      303.53112      45263.449      45263.449      3500.2968      3500.2968    
     67000  -58309.687     -58309.687     -58630.273     -58630.273      310.05925      310.05925      45334.258      45334.258     -3152.3944     -3152.3944    
Loop time of 31.6186 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.733 ns/day, 8.783 hours/ns, 31.627 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    | 31.316     | 31.316     | 31.316     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033314   | 0.033314   | 0.033314   |   0.0 |  0.11
Output  | 6.8429e-05 | 6.8429e-05 | 6.8429e-05 |   0.0 |  0.00
Modify  | 0.24634    | 0.24634    | 0.24634    |   0.0 |  0.78
Other   |            | 0.02326    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687630 ave      687630 max      687630 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687630
Ave neighs/atom = 85.95375
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.0880769392, Press = -1.97664135333035
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58309.687     -58309.687     -58630.273     -58630.273      310.05925      310.05925      45334.258      45334.258     -3152.3944     -3152.3944    
     68000  -58305.372     -58305.372     -58630.045     -58630.045      314.01168      314.01168      45283.294      45283.294      1695.4979      1695.4979    
Loop time of 31.6857 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.727 ns/day, 8.802 hours/ns, 31.560 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    | 31.382     | 31.382     | 31.382     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033676   | 0.033676   | 0.033676   |   0.0 |  0.11
Output  | 4.8391e-05 | 4.8391e-05 | 4.8391e-05 |   0.0 |  0.00
Modify  | 0.2465     | 0.2465     | 0.2465     |   0.0 |  0.78
Other   |            | 0.02311    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687616 ave      687616 max      687616 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687616
Ave neighs/atom = 85.952
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.083781123337, Press = 0.411411030579252
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58305.372     -58305.372     -58630.045     -58630.045      314.01168      314.01168      45283.294      45283.294      1695.4979      1695.4979    
     69000  -58309.283     -58309.283     -58632.905     -58632.905      312.99512      312.99512      45299.931      45299.931     -32.242187     -32.242187    
Loop time of 31.7295 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.723 ns/day, 8.814 hours/ns, 31.516 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    | 31.426     | 31.426     | 31.426     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033471   | 0.033471   | 0.033471   |   0.0 |  0.11
Output  | 7.4561e-05 | 7.4561e-05 | 7.4561e-05 |   0.0 |  0.00
Modify  | 0.24679    | 0.24679    | 0.24679    |   0.0 |  0.78
Other   |            | 0.02309    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687640 ave      687640 max      687640 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687640
Ave neighs/atom = 85.955
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.093621675117, Press = -1.71002233027377
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58309.283     -58309.283     -58632.905     -58632.905      312.99512      312.99512      45299.931      45299.931     -32.242187     -32.242187    
     70000  -58303.689     -58303.689     -58633.135     -58633.135      318.6285       318.6285       45308.347      45308.347     -679.55432     -679.55432    
Loop time of 31.632 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.731 ns/day, 8.787 hours/ns, 31.614 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    | 31.329     | 31.329     | 31.329     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033469   | 0.033469   | 0.033469   |   0.0 |  0.11
Output  | 6.7446e-05 | 6.7446e-05 | 6.7446e-05 |   0.0 |  0.00
Modify  | 0.24651    | 0.24651    | 0.24651    |   0.0 |  0.78
Other   |            | 0.02334    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687690 ave      687690 max      687690 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687690
Ave neighs/atom = 85.96125
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.091799048726, Press = -0.517104848565616
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58303.689     -58303.689     -58633.135     -58633.135      318.6285       318.6285       45308.347      45308.347     -679.55432     -679.55432    
     71000  -58311.176     -58311.176     -58636.13      -58636.13       314.28298      314.28298      45287.661      45287.661      955.76501      955.76501    
Loop time of 31.6657 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.729 ns/day, 8.796 hours/ns, 31.580 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    | 31.362     | 31.362     | 31.362     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033448   | 0.033448   | 0.033448   |   0.0 |  0.11
Output  | 4.8882e-05 | 4.8882e-05 | 4.8882e-05 |   0.0 |  0.00
Modify  | 0.24667    | 0.24667    | 0.24667    |   0.0 |  0.78
Other   |            | 0.02314    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687670 ave      687670 max      687670 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687670
Ave neighs/atom = 85.95875
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.09640883444, Press = -1.26680363536352
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58311.176     -58311.176     -58636.13      -58636.13       314.28298      314.28298      45287.661      45287.661      955.76501      955.76501    
     72000  -58304.72      -58304.72      -58629.133     -58629.133      313.75947      313.75947      45327.626      45327.626     -2495.5446     -2495.5446    
Loop time of 31.6425 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.731 ns/day, 8.790 hours/ns, 31.603 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    | 31.339     | 31.339     | 31.339     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033715   | 0.033715   | 0.033715   |   0.0 |  0.11
Output  | 7.1104e-05 | 7.1104e-05 | 7.1104e-05 |   0.0 |  0.00
Modify  | 0.24644    | 0.24644    | 0.24644    |   0.0 |  0.78
Other   |            | 0.02321    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687646 ave      687646 max      687646 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687646
Ave neighs/atom = 85.95575
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.08669250361, Press = -0.932359637977606
next a
jump SELF top
variable a loop 2000
run 1000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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  -58304.72      -58304.72      -58629.133     -58629.133      313.75947      313.75947      45327.626      45327.626     -2495.5446     -2495.5446    
     73000  -58308.005     -58308.005     -58631.067     -58631.067      312.45304      312.45304      45254.896      45254.896      4454.4517      4454.4517    
Loop time of 31.6908 on 1 procs for 1000 steps with 8000 atoms

Performance: 2.726 ns/day, 8.803 hours/ns, 31.555 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    | 31.388     | 31.388     | 31.388     |   0.0 | 99.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033388   | 0.033388   | 0.033388   |   0.0 |  0.11
Output  | 4.9222e-05 | 4.9222e-05 | 4.9222e-05 |   0.0 |  0.00
Modify  | 0.24667    | 0.24667    | 0.24667    |   0.0 |  0.78
Other   |            | 0.02318    |            |       |  0.07

Nlocal:           8000 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           8601 ave        8601 max        8601 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       687668 ave      687668 max      687668 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 687668
Ave neighs/atom = 85.9585
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${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_T313.15.out"  else  "print 'not_converged'  file output/vol_T313.15.out"
print '${V}'  file output/vol_T313.15.out
45300.9950920208

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0