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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 2.870000079274177*${_u_distance}
variable latticeconst_converted equal 2.870000079274177*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.87000007927418
Lattice spacing in x,y,z = 2.8700001 2.8700001 2.8700001
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (28.700001 28.700001 28.700001)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 2000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (28.700001 28.700001 28.700001)
  create_atoms CPU = 0.002 seconds

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

kim_interactions Fe

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

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


mass          1 ${mass_converted}
mass          1 55.845

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

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 23639.9049589205 Angstroms^3

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

variable temp_converted equal 333.15*${_u_temperature}
variable temp_converted equal 333.15*1
variable Tdamp_converted equal 0.1*${_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 333.15 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 333.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 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  "333.15 - 0.2"
variable      T_up  equal  "333.15 + 0.2"
variable      P_low equal  "0.0 - 0.2"
variable      P_up  equal  "0.0 + 0.2"

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

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

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

Your simulation uses code contributions which should be cited:

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

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

- OpenKIM potential: https://openkim.org/cite/MO_024705128470_000#item-citation

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -8473.9169   -8473.9169   -8559.9999   -8559.9999       333.15       333.15    23639.905    23639.905    3889.4533    3889.4533 
    1000   -8384.7843   -8384.7843   -8475.6685   -8475.6685    351.73144    351.73144    23992.656    23992.656   -3503.6227   -3503.6227 
Loop time of 6.11663 on 1 procs for 1000 steps with 2000 atoms

Performance: 14.125 ns/day, 1.699 hours/ns, 163.489 timesteps/s
90.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.905      | 5.905      | 5.905      |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034978   | 0.034978   | 0.034978   |   0.0 |  0.57
Output  | 0.0003225  | 0.0003225  | 0.0003225  |   0.0 |  0.01
Modify  | 0.15388    | 0.15388    | 0.15388    |   0.0 |  2.52
Other   |            | 0.02249    |            |       |  0.37

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

Total # of neighbors = 128000
Ave neighs/atom = 64.000000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -8384.7843   -8384.7843   -8475.6685   -8475.6685    351.73144    351.73144    23992.656    23992.656   -3503.6227   -3503.6227 
    2000   -8384.6553   -8384.6553   -8472.1834   -8472.1834    338.74283    338.74283    23947.859    23947.859    -163.8118    -163.8118 
Loop time of 5.85239 on 1 procs for 1000 steps with 2000 atoms

Performance: 14.763 ns/day, 1.626 hours/ns, 170.870 timesteps/s
97.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.6498     | 5.6498     | 5.6498     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03437    | 0.03437    | 0.03437    |   0.0 |  0.59
Output  | 0.00012316 | 0.00012316 | 0.00012316 |   0.0 |  0.00
Modify  | 0.14694    | 0.14694    | 0.14694    |   0.0 |  2.51
Other   |            | 0.02117    |            |       |  0.36

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132476.0 ave      132476 max      132476 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132476
Ave neighs/atom = 66.238000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -8384.6553   -8384.6553   -8472.1834   -8472.1834    338.74283    338.74283    23947.859    23947.859    -163.8118    -163.8118 
    3000   -8386.7096   -8386.7096    -8471.288    -8471.288    327.32688    327.32688    23932.799    23932.799    969.26166    969.26166 
Loop time of 5.54811 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.573 ns/day, 1.541 hours/ns, 180.242 timesteps/s
99.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3596     | 5.3596     | 5.3596     |   0.0 | 96.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03239    | 0.03239    | 0.03239    |   0.0 |  0.58
Output  | 0.00012054 | 0.00012054 | 0.00012054 |   0.0 |  0.00
Modify  | 0.13755    | 0.13755    | 0.13755    |   0.0 |  2.48
Other   |            | 0.01846    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132748.0 ave      132748 max      132748 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132748
Ave neighs/atom = 66.374000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -8386.7096   -8386.7096    -8471.288    -8471.288    327.32688    327.32688    23932.799    23932.799    969.26166    969.26166 
    4000   -8383.2088   -8383.2088    -8470.824    -8470.824    339.07999    339.07999    23979.099    23979.099   -1862.7299   -1862.7299 
Loop time of 5.50418 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.697 ns/day, 1.529 hours/ns, 181.680 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3163     | 5.3163     | 5.3163     |   0.0 | 96.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032368   | 0.032368   | 0.032368   |   0.0 |  0.59
Output  | 0.00010999 | 0.00010999 | 0.00010999 |   0.0 |  0.00
Modify  | 0.13706    | 0.13706    | 0.13706    |   0.0 |  2.49
Other   |            | 0.01829    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132818.0 ave      132818 max      132818 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132818
Ave neighs/atom = 66.409000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -8383.2088   -8383.2088    -8470.824    -8470.824    339.07999    339.07999    23979.099    23979.099   -1862.7299   -1862.7299 
    5000   -8387.2564   -8387.2564   -8474.5785   -8474.5785    337.94537    337.94537    23934.055    23934.055    360.69629    360.69629 
Loop time of 5.55884 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.543 ns/day, 1.544 hours/ns, 179.894 timesteps/s
99.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3685     | 5.3685     | 5.3685     |   0.0 | 96.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032564   | 0.032564   | 0.032564   |   0.0 |  0.59
Output  | 6.4759e-05 | 6.4759e-05 | 6.4759e-05 |   0.0 |  0.00
Modify  | 0.1387     | 0.1387     | 0.1387     |   0.0 |  2.50
Other   |            | 0.01898    |            |       |  0.34

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

Total # of neighbors = 132256
Ave neighs/atom = 66.128000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 334.575274912964, Press = 159.324340811045
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -8387.2564   -8387.2564   -8474.5785   -8474.5785    337.94537    337.94537    23934.055    23934.055    360.69629    360.69629 
    6000   -8384.4404   -8384.4404   -8470.2751   -8470.2751    332.18908    332.18908    23960.711    23960.711    -699.3445    -699.3445 
Loop time of 5.55317 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.559 ns/day, 1.543 hours/ns, 180.077 timesteps/s
99.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.361      | 5.361      | 5.361      |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032183   | 0.032183   | 0.032183   |   0.0 |  0.58
Output  | 8.9577e-05 | 8.9577e-05 | 8.9577e-05 |   0.0 |  0.00
Modify  | 0.14121    | 0.14121    | 0.14121    |   0.0 |  2.54
Other   |            | 0.01869    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132726.0 ave      132726 max      132726 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132726
Ave neighs/atom = 66.363000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 331.906744646344, Press = -56.2691710216396
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -8384.4404   -8384.4404   -8470.2751   -8470.2751    332.18908    332.18908    23960.711    23960.711    -699.3445    -699.3445 
    7000   -8388.6597   -8388.6597   -8471.9581   -8471.9581    322.37337    322.37337    23977.941    23977.941   -2315.5685   -2315.5685 
Loop time of 5.49439 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.725 ns/day, 1.526 hours/ns, 182.004 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3046     | 5.3046     | 5.3046     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031924   | 0.031924   | 0.031924   |   0.0 |  0.58
Output  | 5.7531e-05 | 5.7531e-05 | 5.7531e-05 |   0.0 |  0.00
Modify  | 0.13961    | 0.13961    | 0.13961    |   0.0 |  2.54
Other   |            | 0.01819    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132692.0 ave      132692 max      132692 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132692
Ave neighs/atom = 66.346000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 331.340582603508, Press = 30.5023328682728
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -8388.6597   -8388.6597   -8471.9581   -8471.9581    322.37337    322.37337    23977.941    23977.941   -2315.5685   -2315.5685 
    8000    -8383.671    -8383.671   -8470.5605   -8470.5605     336.2716     336.2716    23908.684    23908.684    2877.0496    2877.0496 
Loop time of 5.46031 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.823 ns/day, 1.517 hours/ns, 183.140 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2709     | 5.2709     | 5.2709     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031956   | 0.031956   | 0.031956   |   0.0 |  0.59
Output  | 4.8813e-05 | 4.8813e-05 | 4.8813e-05 |   0.0 |  0.00
Modify  | 0.13919    | 0.13919    | 0.13919    |   0.0 |  2.55
Other   |            | 0.01816    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132546.0 ave      132546 max      132546 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132546
Ave neighs/atom = 66.273000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.043915035635, Press = 7.95150708838549
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000    -8383.671    -8383.671   -8470.5605   -8470.5605     336.2716     336.2716    23908.684    23908.684    2877.0496    2877.0496 
    9000   -8387.5135   -8387.5135   -8471.7398   -8471.7398    325.96449    325.96449    23952.575    23952.575   -467.72577   -467.72577 
Loop time of 5.49863 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.713 ns/day, 1.527 hours/ns, 181.864 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3069     | 5.3069     | 5.3069     |   0.0 | 96.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032313   | 0.032313   | 0.032313   |   0.0 |  0.59
Output  | 8.3155e-05 | 8.3155e-05 | 8.3155e-05 |   0.0 |  0.00
Modify  | 0.14092    | 0.14092    | 0.14092    |   0.0 |  2.56
Other   |            | 0.01838    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      133102.0 ave      133102 max      133102 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 133102
Ave neighs/atom = 66.551000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.879031437642, Press = -6.57589795167974
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -8387.5135   -8387.5135   -8471.7398   -8471.7398    325.96449    325.96449    23952.575    23952.575   -467.72577   -467.72577 
   10000   -8384.4197   -8384.4197   -8471.4142   -8471.4142     336.6777     336.6777    23952.944    23952.944   -324.44413   -324.44413 
Loop time of 5.47347 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.785 ns/day, 1.520 hours/ns, 182.700 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2834     | 5.2834     | 5.2834     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032061   | 0.032061   | 0.032061   |   0.0 |  0.59
Output  | 4.8317e-05 | 4.8317e-05 | 4.8317e-05 |   0.0 |  0.00
Modify  | 0.13979    | 0.13979    | 0.13979    |   0.0 |  2.55
Other   |            | 0.01816    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132706.0 ave      132706 max      132706 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132706
Ave neighs/atom = 66.353000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.944520603919, Press = -1.22443393997758
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -8384.4197   -8384.4197   -8471.4142   -8471.4142     336.6777     336.6777    23952.944    23952.944   -324.44413   -324.44413 
   11000   -8384.6682   -8384.6682   -8473.1832   -8473.1832     342.5625     342.5625    23960.048    23960.048   -972.36339   -972.36339 
Loop time of 5.56672 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.521 ns/day, 1.546 hours/ns, 179.639 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3701     | 5.3701     | 5.3701     |   0.0 | 96.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032826   | 0.032826   | 0.032826   |   0.0 |  0.59
Output  | 6.2474e-05 | 6.2474e-05 | 6.2474e-05 |   0.0 |  0.00
Modify  | 0.14434    | 0.14434    | 0.14434    |   0.0 |  2.59
Other   |            | 0.01939    |            |       |  0.35

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132664.0 ave      132664 max      132664 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132664
Ave neighs/atom = 66.332000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.60502888541, Press = -1.34853771057975
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -8384.6682   -8384.6682   -8473.1832   -8473.1832     342.5625     342.5625    23960.048    23960.048   -972.36339   -972.36339 
   12000   -8388.1887   -8388.1887   -8473.5739   -8473.5739    330.44952    330.44952    23931.492    23931.492    564.16264    564.16264 
Loop time of 5.5174 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.660 ns/day, 1.533 hours/ns, 181.245 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3242     | 5.3242     | 5.3242     |   0.0 | 96.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032281   | 0.032281   | 0.032281   |   0.0 |  0.59
Output  | 7.7455e-05 | 7.7455e-05 | 7.7455e-05 |   0.0 |  0.00
Modify  | 0.1421     | 0.1421     | 0.1421     |   0.0 |  2.58
Other   |            | 0.0187     |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132508.0 ave      132508 max      132508 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132508
Ave neighs/atom = 66.254000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.439508530061, Press = 1.34863689565301
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -8388.1887   -8388.1887   -8473.5739   -8473.5739    330.44952    330.44952    23931.492    23931.492    564.16264    564.16264 
   13000   -8384.9854   -8384.9854    -8471.896    -8471.896    336.35293    336.35293    23955.698    23955.698   -546.74482   -546.74482 
Loop time of 5.50552 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.693 ns/day, 1.529 hours/ns, 181.636 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3144     | 5.3144     | 5.3144     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032169   | 0.032169   | 0.032169   |   0.0 |  0.58
Output  | 8.6414e-05 | 8.6414e-05 | 8.6414e-05 |   0.0 |  0.00
Modify  | 0.14038    | 0.14038    | 0.14038    |   0.0 |  2.55
Other   |            | 0.01847    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132682.0 ave      132682 max      132682 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132682
Ave neighs/atom = 66.341000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.120521213197, Press = -4.0693388874813
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -8384.9854   -8384.9854    -8471.896    -8471.896    336.35293    336.35293    23955.698    23955.698   -546.74482   -546.74482 
   14000   -8387.9202   -8387.9202   -8472.2921   -8472.2921    326.52807    326.52807    23967.185    23967.185   -1638.4605   -1638.4605 
Loop time of 5.50519 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.694 ns/day, 1.529 hours/ns, 181.647 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3126     | 5.3126     | 5.3126     |   0.0 | 96.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032425   | 0.032425   | 0.032425   |   0.0 |  0.59
Output  | 0.00014953 | 0.00014953 | 0.00014953 |   0.0 |  0.00
Modify  | 0.1412     | 0.1412     | 0.1412     |   0.0 |  2.56
Other   |            | 0.01877    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132652.0 ave      132652 max      132652 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132652
Ave neighs/atom = 66.326000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.167838105575, Press = 4.09733526407216
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -8387.9202   -8387.9202   -8472.2921   -8472.2921    326.52807    326.52807    23967.185    23967.185   -1638.4605   -1638.4605 
   15000   -8382.2407   -8382.2407   -8470.0955   -8470.0955    340.00728    340.00728    23912.482    23912.482    2839.8151    2839.8151 
Loop time of 5.48522 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.751 ns/day, 1.524 hours/ns, 182.308 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2932     | 5.2932     | 5.2932     |   0.0 | 96.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032321   | 0.032321   | 0.032321   |   0.0 |  0.59
Output  | 9.5013e-05 | 9.5013e-05 | 9.5013e-05 |   0.0 |  0.00
Modify  | 0.14084    | 0.14084    | 0.14084    |   0.0 |  2.57
Other   |            | 0.01874    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132560.0 ave      132560 max      132560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132560
Ave neighs/atom = 66.280000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.509429249883, Press = 0.0206379002249939
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -8382.2407   -8382.2407   -8470.0955   -8470.0955    340.00728    340.00728    23912.482    23912.482    2839.8151    2839.8151 
   16000   -8384.8977   -8384.8977   -8470.8128   -8470.8128    332.50013    332.50013     23974.31     23974.31    -1759.272    -1759.272 
Loop time of 5.52896 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.627 ns/day, 1.536 hours/ns, 180.866 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3364     | 5.3364     | 5.3364     |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032334   | 0.032334   | 0.032334   |   0.0 |  0.58
Output  | 9.2214e-05 | 9.2214e-05 | 9.2214e-05 |   0.0 |  0.00
Modify  | 0.14133    | 0.14133    | 0.14133    |   0.0 |  2.56
Other   |            | 0.01881    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      133194.0 ave      133194 max      133194 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 133194
Ave neighs/atom = 66.597000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.649557878305, Press = -4.26256895580553
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -8384.8977   -8384.8977   -8470.8128   -8470.8128    332.50013    332.50013     23974.31     23974.31    -1759.272    -1759.272 
   17000    -8385.915    -8385.915   -8471.9304   -8471.9304    332.88846    332.88846    23930.211    23930.211    1049.8065    1049.8065 
Loop time of 5.50959 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.682 ns/day, 1.530 hours/ns, 181.502 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3172     | 5.3172     | 5.3172     |   0.0 | 96.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032197   | 0.032197   | 0.032197   |   0.0 |  0.58
Output  | 8.0783e-05 | 8.0783e-05 | 8.0783e-05 |   0.0 |  0.00
Modify  | 0.14124    | 0.14124    | 0.14124    |   0.0 |  2.56
Other   |            | 0.01889    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132506.0 ave      132506 max      132506 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132506
Ave neighs/atom = 66.253000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.994542290903, Press = 3.67440312708342
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000    -8385.915    -8385.915   -8471.9304   -8471.9304    332.88846    332.88846    23930.211    23930.211    1049.8065    1049.8065 
   18000   -8382.2507   -8382.2507   -8469.3986   -8469.3986    337.27152    337.27152    23954.879    23954.879   -119.82671   -119.82671 
Loop time of 5.5088 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.684 ns/day, 1.530 hours/ns, 181.528 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3162     | 5.3162     | 5.3162     |   0.0 | 96.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032408   | 0.032408   | 0.032408   |   0.0 |  0.59
Output  | 8.0429e-05 | 8.0429e-05 | 8.0429e-05 |   0.0 |  0.00
Modify  | 0.1412     | 0.1412     | 0.1412     |   0.0 |  2.56
Other   |            | 0.01896    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132748.0 ave      132748 max      132748 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132748
Ave neighs/atom = 66.374000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.049233293537, Press = -3.38973956526473
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -8382.2507   -8382.2507   -8469.3986   -8469.3986    337.27152    337.27152    23954.879    23954.879   -119.82671   -119.82671 
   19000    -8382.266    -8382.266   -8469.5851   -8469.5851    337.93402    337.93402    23966.276    23966.276   -966.26099   -966.26099 
Loop time of 5.52216 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.646 ns/day, 1.534 hours/ns, 181.089 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3289     | 5.3289     | 5.3289     |   0.0 | 96.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032444   | 0.032444   | 0.032444   |   0.0 |  0.59
Output  | 0.00022055 | 0.00022055 | 0.00022055 |   0.0 |  0.00
Modify  | 0.14159    | 0.14159    | 0.14159    |   0.0 |  2.56
Other   |            | 0.01904    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132872.0 ave      132872 max      132872 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132872
Ave neighs/atom = 66.436000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.098709865304, Press = 0.351671534948711
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000    -8382.266    -8382.266   -8469.5851   -8469.5851    337.93402    337.93402    23966.276    23966.276   -966.26099   -966.26099 
   20000   -8384.8438   -8384.8438   -8471.2057   -8471.2057    334.22962    334.22962    23931.218    23931.218    1136.8505    1136.8505 
Loop time of 5.50615 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.692 ns/day, 1.529 hours/ns, 181.615 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3138     | 5.3138     | 5.3138     |   0.0 | 96.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032164   | 0.032164   | 0.032164   |   0.0 |  0.58
Output  | 8.7438e-05 | 8.7438e-05 | 8.7438e-05 |   0.0 |  0.00
Modify  | 0.14131    | 0.14131    | 0.14131    |   0.0 |  2.57
Other   |            | 0.01877    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132820.0 ave      132820 max      132820 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132820
Ave neighs/atom = 66.410000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.348082888679, Press = -0.827871318398569
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -8384.8438   -8384.8438   -8471.2057   -8471.2057    334.22962    334.22962    23931.218    23931.218    1136.8505    1136.8505 
   21000   -8389.3478   -8389.3478   -8471.9421   -8471.9421    319.64846    319.64846    23972.025    23972.025   -2039.0443   -2039.0443 
Loop time of 5.54822 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.573 ns/day, 1.541 hours/ns, 180.238 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3524     | 5.3524     | 5.3524     |   0.0 | 96.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032793   | 0.032793   | 0.032793   |   0.0 |  0.59
Output  | 0.00010063 | 0.00010063 | 0.00010063 |   0.0 |  0.00
Modify  | 0.14326    | 0.14326    | 0.14326    |   0.0 |  2.58
Other   |            | 0.01971    |            |       |  0.36

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132962.0 ave      132962 max      132962 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132962
Ave neighs/atom = 66.481000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.346310402689, Press = -4.14519405762866
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -8389.3478   -8389.3478   -8471.9421   -8471.9421    319.64846    319.64846    23972.025    23972.025   -2039.0443   -2039.0443 
   22000   -8384.2597   -8384.2597   -8469.8703   -8469.8703    331.32194    331.32194    23946.509    23946.509    297.79726    297.79726 
Loop time of 5.49653 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.719 ns/day, 1.527 hours/ns, 181.933 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3041     | 5.3041     | 5.3041     |   0.0 | 96.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032272   | 0.032272   | 0.032272   |   0.0 |  0.59
Output  | 7.7785e-05 | 7.7785e-05 | 7.7785e-05 |   0.0 |  0.00
Modify  | 0.14106    | 0.14106    | 0.14106    |   0.0 |  2.57
Other   |            | 0.019      |            |       |  0.35

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132622.0 ave      132622 max      132622 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132622
Ave neighs/atom = 66.311000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.177194397486, Press = 4.54992508845956
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -8384.2597   -8384.2597   -8469.8703   -8469.8703    331.32194    331.32194    23946.509    23946.509    297.79726    297.79726 
   23000   -8385.0345   -8385.0345   -8471.5587   -8471.5587    334.85745    334.85745    23920.323    23920.323    1775.8703    1775.8703 
Loop time of 5.50931 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.683 ns/day, 1.530 hours/ns, 181.511 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3165     | 5.3165     | 5.3165     |   0.0 | 96.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032303   | 0.032303   | 0.032303   |   0.0 |  0.59
Output  | 8.42e-05   | 8.42e-05   | 8.42e-05   |   0.0 |  0.00
Modify  | 0.14127    | 0.14127    | 0.14127    |   0.0 |  2.56
Other   |            | 0.01913    |            |       |  0.35

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132962.0 ave      132962 max      132962 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132962
Ave neighs/atom = 66.481000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.084995101664, Press = -3.36661368661498
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -8385.0345   -8385.0345   -8471.5587   -8471.5587    334.85745    334.85745    23920.323    23920.323    1775.8703    1775.8703 
   24000   -8386.2177   -8386.2177   -8471.0417   -8471.0417     328.2774     328.2774     23978.66     23978.66   -2060.2134   -2060.2134 
Loop time of 5.51439 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.668 ns/day, 1.532 hours/ns, 181.344 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.321      | 5.321      | 5.321      |   0.0 | 96.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032471   | 0.032471   | 0.032471   |   0.0 |  0.59
Output  | 7.4755e-05 | 7.4755e-05 | 7.4755e-05 |   0.0 |  0.00
Modify  | 0.14158    | 0.14158    | 0.14158    |   0.0 |  2.57
Other   |            | 0.01929    |            |       |  0.35

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      133066.0 ave      133066 max      133066 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 133066
Ave neighs/atom = 66.533000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.225071050079, Press = 0.984057326226246
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -8386.2177   -8386.2177   -8471.0417   -8471.0417     328.2774     328.2774     23978.66     23978.66   -2060.2134   -2060.2134 
   25000   -8386.3337   -8386.3337    -8472.013    -8472.013    331.58784    331.58784    23930.552    23930.552    1050.6224    1050.6224 
Loop time of 5.54389 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.585 ns/day, 1.540 hours/ns, 180.379 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3487     | 5.3487     | 5.3487     |   0.0 | 96.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032531   | 0.032531   | 0.032531   |   0.0 |  0.59
Output  | 8.8548e-05 | 8.8548e-05 | 8.8548e-05 |   0.0 |  0.00
Modify  | 0.1429     | 0.1429     | 0.1429     |   0.0 |  2.58
Other   |            | 0.01963    |            |       |  0.35

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132598.0 ave      132598 max      132598 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132598
Ave neighs/atom = 66.299000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.304672169152, Press = 0.911472884914029
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -8386.3337   -8386.3337    -8472.013    -8472.013    331.58784    331.58784    23930.552    23930.552    1050.6224    1050.6224 
   26000   -8386.8708   -8386.8708   -8472.6597   -8472.6597     332.0121     332.0121    23940.391    23940.391    210.06266    210.06266 
Loop time of 5.51227 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.674 ns/day, 1.531 hours/ns, 181.414 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3192     | 5.3192     | 5.3192     |   0.0 | 96.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032371   | 0.032371   | 0.032371   |   0.0 |  0.59
Output  | 0.00011546 | 0.00011546 | 0.00011546 |   0.0 |  0.00
Modify  | 0.14137    | 0.14137    | 0.14137    |   0.0 |  2.56
Other   |            | 0.01917    |            |       |  0.35

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132866.0 ave      132866 max      132866 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132866
Ave neighs/atom = 66.433000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.36926329118, Press = -1.2168535300203
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -8386.8708   -8386.8708   -8472.6597   -8472.6597     332.0121     332.0121    23940.391    23940.391    210.06266    210.06266 
   27000   -8381.1342   -8381.1342   -8469.4072   -8469.4072    341.62574    341.62574    23971.216    23971.216   -1143.1209   -1143.1209 
Loop time of 5.49917 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.711 ns/day, 1.528 hours/ns, 181.846 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.307      | 5.307      | 5.307      |   0.0 | 96.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032332   | 0.032332   | 0.032332   |   0.0 |  0.59
Output  | 9.2386e-05 | 9.2386e-05 | 9.2386e-05 |   0.0 |  0.00
Modify  | 0.14085    | 0.14085    | 0.14085    |   0.0 |  2.56
Other   |            | 0.01894    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132886.0 ave      132886 max      132886 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132886
Ave neighs/atom = 66.443000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.39893909067, Press = 0.144377972388218
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -8381.1342   -8381.1342   -8469.4072   -8469.4072    341.62574    341.62574    23971.216    23971.216   -1143.1209   -1143.1209 
   28000   -8386.0314   -8386.0314   -8472.2962   -8472.2962    333.85366    333.85366    23914.569    23914.569    2010.6445    2010.6445 
Loop time of 5.55455 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.555 ns/day, 1.543 hours/ns, 180.033 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3575     | 5.3575     | 5.3575     |   0.0 | 96.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033104   | 0.033104   | 0.033104   |   0.0 |  0.60
Output  | 8.459e-05  | 8.459e-05  | 8.459e-05  |   0.0 |  0.00
Modify  | 0.14399    | 0.14399    | 0.14399    |   0.0 |  2.59
Other   |            | 0.0199     |            |       |  0.36

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132766.0 ave      132766 max      132766 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132766
Ave neighs/atom = 66.383000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.525244432958, Press = 0.838154344725175
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -8386.0314   -8386.0314   -8472.2962   -8472.2962    333.85366    333.85366    23914.569    23914.569    2010.6445    2010.6445 
   29000   -8382.8627   -8382.8627   -8468.9954   -8468.9954    333.34256    333.34256    23966.417    23966.417   -835.36813   -835.36813 
Loop time of 5.51044 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.679 ns/day, 1.531 hours/ns, 181.474 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3172     | 5.3172     | 5.3172     |   0.0 | 96.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032693   | 0.032693   | 0.032693   |   0.0 |  0.59
Output  | 9.2644e-05 | 9.2644e-05 | 9.2644e-05 |   0.0 |  0.00
Modify  | 0.14125    | 0.14125    | 0.14125    |   0.0 |  2.56
Other   |            | 0.01918    |            |       |  0.35

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132992.0 ave      132992 max      132992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132992
Ave neighs/atom = 66.496000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.53511020444, Press = -3.21190739326648
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -8382.8627   -8382.8627   -8468.9954   -8468.9954    333.34256    333.34256    23966.417    23966.417   -835.36813   -835.36813 
   30000   -8386.5922   -8386.5922   -8473.7768   -8473.7768    337.41355    337.41355    23957.698    23957.698   -1185.5134   -1185.5134 
Loop time of 5.51176 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.676 ns/day, 1.531 hours/ns, 181.430 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3192     | 5.3192     | 5.3192     |   0.0 | 96.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032263   | 0.032263   | 0.032263   |   0.0 |  0.59
Output  | 8.2373e-05 | 8.2373e-05 | 8.2373e-05 |   0.0 |  0.00
Modify  | 0.14103    | 0.14103    | 0.14103    |   0.0 |  2.56
Other   |            | 0.01916    |            |       |  0.35

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132850.0 ave      132850 max      132850 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132850
Ave neighs/atom = 66.425000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.595812989728, Press = 2.14268104290084
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -8386.5922   -8386.5922   -8473.7768   -8473.7768    337.41355    337.41355    23957.698    23957.698   -1185.5134   -1185.5134 
   31000   -8379.7016   -8379.7016   -8467.9812   -8467.9812    341.65115    341.65115    23926.858    23926.858    2058.2969    2058.2969 
Loop time of 5.50567 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.693 ns/day, 1.529 hours/ns, 181.631 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3128     | 5.3128     | 5.3128     |   0.0 | 96.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032429   | 0.032429   | 0.032429   |   0.0 |  0.59
Output  | 0.00010104 | 0.00010104 | 0.00010104 |   0.0 |  0.00
Modify  | 0.1413     | 0.1413     | 0.1413     |   0.0 |  2.57
Other   |            | 0.01904    |            |       |  0.35

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132462.0 ave      132462 max      132462 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132462
Ave neighs/atom = 66.231000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.659672380657, Press = -2.02342618769273
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -8379.7016   -8379.7016   -8467.9812   -8467.9812    341.65115    341.65115    23926.858    23926.858    2058.2969    2058.2969 
   32000   -8385.9896   -8385.9896   -8471.0617   -8471.0617    329.23774    329.23774    23990.138    23990.138   -2895.8974   -2895.8974 
Loop time of 5.51007 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.680 ns/day, 1.531 hours/ns, 181.486 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3173     | 5.3173     | 5.3173     |   0.0 | 96.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032199   | 0.032199   | 0.032199   |   0.0 |  0.58
Output  | 0.00017165 | 0.00017165 | 0.00017165 |   0.0 |  0.00
Modify  | 0.14129    | 0.14129    | 0.14129    |   0.0 |  2.56
Other   |            | 0.01906    |            |       |  0.35

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      133016.0 ave      133016 max      133016 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 133016
Ave neighs/atom = 66.508000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.685493394236, Press = -0.907916975905752
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -8385.9896   -8385.9896   -8471.0617   -8471.0617    329.23774    329.23774    23990.138    23990.138   -2895.8974   -2895.8974 
   33000   -8382.8307   -8382.8307   -8468.8542   -8468.8542    332.91988    332.91988    23923.957    23923.957     2050.966     2050.966 
Loop time of 5.48293 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.758 ns/day, 1.523 hours/ns, 182.384 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2926     | 5.2926     | 5.2926     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032054   | 0.032054   | 0.032054   |   0.0 |  0.58
Output  | 8.5037e-05 | 8.5037e-05 | 8.5037e-05 |   0.0 |  0.00
Modify  | 0.13985    | 0.13985    | 0.13985    |   0.0 |  2.55
Other   |            | 0.01839    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132464.0 ave      132464 max      132464 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132464
Ave neighs/atom = 66.232000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.715272170591, Press = 2.92737638040279
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -8382.8307   -8382.8307   -8468.8542   -8468.8542    332.91988    332.91988    23923.957    23923.957     2050.966     2050.966 
   34000   -8389.3703   -8389.3703   -8472.2344   -8472.2344    320.69273    320.69273    23935.849    23935.849    459.08923    459.08923 
Loop time of 5.50625 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.691 ns/day, 1.530 hours/ns, 181.612 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3136     | 5.3136     | 5.3136     |   0.0 | 96.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032321   | 0.032321   | 0.032321   |   0.0 |  0.59
Output  | 8.6602e-05 | 8.6602e-05 | 8.6602e-05 |   0.0 |  0.00
Modify  | 0.14158    | 0.14158    | 0.14158    |   0.0 |  2.57
Other   |            | 0.01867    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      133032.0 ave      133032 max      133032 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 133032
Ave neighs/atom = 66.516000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.636671450402, Press = -3.15824578434703
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -8389.3703   -8389.3703   -8472.2344   -8472.2344    320.69273    320.69273    23935.849    23935.849    459.08923    459.08923 
   35000   -8384.1526   -8384.1526   -8467.8302   -8467.8302    323.84115    323.84115    23972.215    23972.215   -1165.3973   -1165.3973 
Loop time of 5.50577 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.693 ns/day, 1.529 hours/ns, 181.628 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3143     | 5.3143     | 5.3143     |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032228   | 0.032228   | 0.032228   |   0.0 |  0.59
Output  | 8.5164e-05 | 8.5164e-05 | 8.5164e-05 |   0.0 |  0.00
Modify  | 0.14063    | 0.14063    | 0.14063    |   0.0 |  2.55
Other   |            | 0.01851    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132596.0 ave      132596 max      132596 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132596
Ave neighs/atom = 66.298000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.508218010324, Press = 0.981914666037117
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -8384.1526   -8384.1526   -8467.8302   -8467.8302    323.84115    323.84115    23972.215    23972.215   -1165.3973   -1165.3973 
   36000   -8387.4993   -8387.4993   -8473.4067   -8473.4067    332.47048    332.47048    23922.569    23922.569    1221.9987    1221.9987 
Loop time of 5.48205 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.761 ns/day, 1.523 hours/ns, 182.414 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2917     | 5.2917     | 5.2917     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031967   | 0.031967   | 0.031967   |   0.0 |  0.58
Output  | 5.7092e-05 | 5.7092e-05 | 5.7092e-05 |   0.0 |  0.00
Modify  | 0.13987    | 0.13987    | 0.13987    |   0.0 |  2.55
Other   |            | 0.01841    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132682.0 ave      132682 max      132682 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132682
Ave neighs/atom = 66.341000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.498083056528, Press = 0.129042927267895
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -8387.4993   -8387.4993   -8473.4067   -8473.4067    332.47048    332.47048    23922.569    23922.569    1221.9987    1221.9987 
   37000   -8379.8688   -8379.8688   -8468.9214   -8468.9214    344.64267    344.64267    23964.048    23964.048   -450.32351   -450.32351 
Loop time of 5.48178 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.761 ns/day, 1.523 hours/ns, 182.423 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2912     | 5.2912     | 5.2912     |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03214    | 0.03214    | 0.03214    |   0.0 |  0.59
Output  | 8.7887e-05 | 8.7887e-05 | 8.7887e-05 |   0.0 |  0.00
Modify  | 0.13998    | 0.13998    | 0.13998    |   0.0 |  2.55
Other   |            | 0.0184     |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132884.0 ave      132884 max      132884 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132884
Ave neighs/atom = 66.442000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.515281277526, Press = -0.904322624782416
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -8379.8688   -8379.8688   -8468.9214   -8468.9214    344.64267    344.64267    23964.048    23964.048   -450.32351   -450.32351 
   38000   -8387.6602   -8387.6602   -8472.8551   -8472.8551    329.71331    329.71331    23945.309    23945.309   -200.73979   -200.73979 
Loop time of 5.47739 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.774 ns/day, 1.521 hours/ns, 182.569 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2868     | 5.2868     | 5.2868     |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032086   | 0.032086   | 0.032086   |   0.0 |  0.59
Output  | 5.8153e-05 | 5.8153e-05 | 5.8153e-05 |   0.0 |  0.00
Modify  | 0.14007    | 0.14007    | 0.14007    |   0.0 |  2.56
Other   |            | 0.0184     |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132826.0 ave      132826 max      132826 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132826
Ave neighs/atom = 66.413000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.574366303153, Press = -0.110555118725932
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -8387.6602   -8387.6602   -8472.8551   -8472.8551    329.71331    329.71331    23945.309    23945.309   -200.73979   -200.73979 
   39000   -8384.2636   -8384.2636   -8472.1953   -8472.1953    340.30491    340.30491    23962.295    23962.295   -1050.4865   -1050.4865 
Loop time of 5.48968 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.739 ns/day, 1.525 hours/ns, 182.160 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.299      | 5.299      | 5.299      |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032296   | 0.032296   | 0.032296   |   0.0 |  0.59
Output  | 8.2522e-05 | 8.2522e-05 | 8.2522e-05 |   0.0 |  0.00
Modify  | 0.13986    | 0.13986    | 0.13986    |   0.0 |  2.55
Other   |            | 0.01839    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132820.0 ave      132820 max      132820 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132820
Ave neighs/atom = 66.410000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.569118440281, Press = -0.776078117492023
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -8384.2636   -8384.2636   -8472.1953   -8472.1953    340.30491    340.30491    23962.295    23962.295   -1050.4865   -1050.4865 
   40000   -8385.4125   -8385.4125     -8470.46     -8470.46     329.1426     329.1426    23940.806    23940.806    705.97142    705.97142 
Loop time of 5.46995 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.795 ns/day, 1.519 hours/ns, 182.817 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2796     | 5.2796     | 5.2796     |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031999   | 0.031999   | 0.031999   |   0.0 |  0.58
Output  | 5.5412e-05 | 5.5412e-05 | 5.5412e-05 |   0.0 |  0.00
Modify  | 0.13991    | 0.13991    | 0.13991    |   0.0 |  2.56
Other   |            | 0.01839    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132556.0 ave      132556 max      132556 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132556
Ave neighs/atom = 66.278000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.590874829294, Press = 0.492647881442356
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -8385.4125   -8385.4125     -8470.46     -8470.46     329.1426     329.1426    23940.806    23940.806    705.97142    705.97142 
   41000   -8381.6983   -8381.6983   -8469.3165   -8469.3165    339.09123    339.09123     23929.54     23929.54    1591.2698    1591.2698 
Loop time of 5.47674 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.776 ns/day, 1.521 hours/ns, 182.590 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2862     | 5.2862     | 5.2862     |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032099   | 0.032099   | 0.032099   |   0.0 |  0.59
Output  | 6.3545e-05 | 6.3545e-05 | 6.3545e-05 |   0.0 |  0.00
Modify  | 0.13993    | 0.13993    | 0.13993    |   0.0 |  2.56
Other   |            | 0.01842    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132810.0 ave      132810 max      132810 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132810
Ave neighs/atom = 66.405000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.668632946159, Press = -2.06567605180284
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -8381.6983   -8381.6983   -8469.3165   -8469.3165    339.09123    339.09123     23929.54     23929.54    1591.2698    1591.2698 
   42000    -8384.401    -8384.401   -8468.2395   -8468.2395     324.4639     324.4639    24012.115    24012.115   -3938.2106   -3938.2106 
Loop time of 5.48323 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.757 ns/day, 1.523 hours/ns, 182.374 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2931     | 5.2931     | 5.2931     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032039   | 0.032039   | 0.032039   |   0.0 |  0.58
Output  | 5.5631e-05 | 5.5631e-05 | 5.5631e-05 |   0.0 |  0.00
Modify  | 0.13966    | 0.13966    | 0.13966    |   0.0 |  2.55
Other   |            | 0.01839    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132870.0 ave      132870 max      132870 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132870
Ave neighs/atom = 66.435000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.634690081872, Press = -0.742407950712976
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000    -8384.401    -8384.401   -8468.2395   -8468.2395     324.4639     324.4639    24012.115    24012.115   -3938.2106   -3938.2106 
   43000   -8381.1329   -8381.1329    -8470.338    -8470.338    345.23293    345.23293    23933.007    23933.007    1243.4526    1243.4526 
Loop time of 5.49 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.738 ns/day, 1.525 hours/ns, 182.149 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2994     | 5.2994     | 5.2994     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032112   | 0.032112   | 0.032112   |   0.0 |  0.58
Output  | 8.7226e-05 | 8.7226e-05 | 8.7226e-05 |   0.0 |  0.00
Modify  | 0.13998    | 0.13998    | 0.13998    |   0.0 |  2.55
Other   |            | 0.0184     |            |       |  0.34

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

Total # of neighbors = 132416
Ave neighs/atom = 66.208000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.672264578368, Press = 0.776973115175901
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -8381.1329   -8381.1329    -8470.338    -8470.338    345.23293    345.23293    23933.007    23933.007    1243.4526    1243.4526 
   44000   -8387.1656   -8387.1656   -8471.9873   -8471.9873    328.26893    328.26893    23946.904    23946.904   -173.51768   -173.51768 
Loop time of 5.47408 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.783 ns/day, 1.521 hours/ns, 182.679 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2839     | 5.2839     | 5.2839     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031895   | 0.031895   | 0.031895   |   0.0 |  0.58
Output  | 5.6018e-05 | 5.6018e-05 | 5.6018e-05 |   0.0 |  0.00
Modify  | 0.13982    | 0.13982    | 0.13982    |   0.0 |  2.55
Other   |            | 0.01842    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132924.0 ave      132924 max      132924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132924
Ave neighs/atom = 66.462000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.719627581673, Press = -1.35210330715433
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -8387.1656   -8387.1656   -8471.9873   -8471.9873    328.26893    328.26893    23946.904    23946.904   -173.51768   -173.51768 
   45000   -8387.9851   -8387.9851   -8472.4508   -8472.4508    326.89092    326.89092     23956.56     23956.56   -867.40759   -867.40759 
Loop time of 5.49349 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.728 ns/day, 1.526 hours/ns, 182.034 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3034     | 5.3034     | 5.3034     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032007   | 0.032007   | 0.032007   |   0.0 |  0.58
Output  | 5.628e-05  | 5.628e-05  | 5.628e-05  |   0.0 |  0.00
Modify  | 0.13967    | 0.13967    | 0.13967    |   0.0 |  2.54
Other   |            | 0.01835    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132674.0 ave      132674 max      132674 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132674
Ave neighs/atom = 66.337000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.717538461396, Press = 0.199506189172224
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -8387.9851   -8387.9851   -8472.4508   -8472.4508    326.89092    326.89092     23956.56     23956.56   -867.40759   -867.40759 
   46000    -8386.157    -8386.157    -8472.635    -8472.635    334.67876    334.67876    23927.965    23927.965    1064.5388    1064.5388 
Loop time of 5.48032 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.766 ns/day, 1.522 hours/ns, 182.471 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.29       | 5.29       | 5.29       |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032044   | 0.032044   | 0.032044   |   0.0 |  0.58
Output  | 5.4156e-05 | 5.4156e-05 | 5.4156e-05 |   0.0 |  0.00
Modify  | 0.13983    | 0.13983    | 0.13983    |   0.0 |  2.55
Other   |            | 0.01841    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132580.0 ave      132580 max      132580 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132580
Ave neighs/atom = 66.290000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.611699379002, Press = 0.25151541502527
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000    -8386.157    -8386.157    -8472.635    -8472.635    334.67876    334.67876    23927.965    23927.965    1064.5388    1064.5388 
   47000   -8387.0045   -8387.0045   -8471.1946   -8471.1946    325.82455    325.82455    23938.898    23938.898    386.04183    386.04183 
Loop time of 5.47779 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.773 ns/day, 1.522 hours/ns, 182.555 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2875     | 5.2875     | 5.2875     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032016   | 0.032016   | 0.032016   |   0.0 |  0.58
Output  | 5.6344e-05 | 5.6344e-05 | 5.6344e-05 |   0.0 |  0.00
Modify  | 0.13991    | 0.13991    | 0.13991    |   0.0 |  2.55
Other   |            | 0.01836    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132670.0 ave      132670 max      132670 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132670
Ave neighs/atom = 66.335000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.59754596815, Press = -1.77512699768804
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -8387.0045   -8387.0045   -8471.1946   -8471.1946    325.82455    325.82455    23938.898    23938.898    386.04183    386.04183 
   48000   -8385.4439   -8385.4439   -8470.0161   -8470.0161    327.30321    327.30321    23972.207    23972.207   -1369.2044   -1369.2044 
Loop time of 5.48866 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.742 ns/day, 1.525 hours/ns, 182.194 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2981     | 5.2981     | 5.2981     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032024   | 0.032024   | 0.032024   |   0.0 |  0.58
Output  | 8.5337e-05 | 8.5337e-05 | 8.5337e-05 |   0.0 |  0.00
Modify  | 0.14009    | 0.14009    | 0.14009    |   0.0 |  2.55
Other   |            | 0.01839    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132886.0 ave      132886 max      132886 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132886
Ave neighs/atom = 66.443000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.498426640699, Press = 0.677880166008264
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -8385.4439   -8385.4439   -8470.0161   -8470.0161    327.30321    327.30321    23972.207    23972.207   -1369.2044   -1369.2044 
   49000   -8387.4994   -8387.4994    -8473.063    -8473.063    331.13995    331.13995    23893.114    23893.114    3334.7515    3334.7515 
Loop time of 5.48497 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.752 ns/day, 1.524 hours/ns, 182.316 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2946     | 5.2946     | 5.2946     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03213    | 0.03213    | 0.03213    |   0.0 |  0.59
Output  | 5.6272e-05 | 5.6272e-05 | 5.6272e-05 |   0.0 |  0.00
Modify  | 0.13975    | 0.13975    | 0.13975    |   0.0 |  2.55
Other   |            | 0.01849    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132612.0 ave      132612 max      132612 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132612
Ave neighs/atom = 66.306000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.485827835462, Press = -0.757206360912524
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -8387.4994   -8387.4994    -8473.063    -8473.063    331.13995    331.13995    23893.114    23893.114    3334.7515    3334.7515 
   50000   -8386.4065   -8386.4065   -8471.8655   -8471.8655    330.73512    330.73512    23993.906    23993.906   -3125.9333   -3125.9333 
Loop time of 5.48553 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.751 ns/day, 1.524 hours/ns, 182.298 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2952     | 5.2952     | 5.2952     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031978   | 0.031978   | 0.031978   |   0.0 |  0.58
Output  | 5.6512e-05 | 5.6512e-05 | 5.6512e-05 |   0.0 |  0.00
Modify  | 0.13994    | 0.13994    | 0.13994    |   0.0 |  2.55
Other   |            | 0.01837    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132940.0 ave      132940 max      132940 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132940
Ave neighs/atom = 66.470000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.463452674025, Press = -1.23904714824493
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -8386.4065   -8386.4065   -8471.8655   -8471.8655    330.73512    330.73512    23993.906    23993.906   -3125.9333   -3125.9333 
   51000   -8383.5479   -8383.5479   -8471.5922   -8471.5922    340.74058    340.74058    23942.974    23942.974    322.83054    322.83054 
Loop time of 5.47703 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.775 ns/day, 1.521 hours/ns, 182.581 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2868     | 5.2868     | 5.2868     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031932   | 0.031932   | 0.031932   |   0.0 |  0.58
Output  | 5.4536e-05 | 5.4536e-05 | 5.4536e-05 |   0.0 |  0.00
Modify  | 0.13987    | 0.13987    | 0.13987    |   0.0 |  2.55
Other   |            | 0.0184     |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132308.0 ave      132308 max      132308 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132308
Ave neighs/atom = 66.154000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.474577417318, Press = 0.813462303177146
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -8383.5479   -8383.5479   -8471.5922   -8471.5922    340.74058    340.74058    23942.974    23942.974    322.83054    322.83054 
   52000   -8385.5566   -8385.5566   -8472.7171   -8472.7171    337.32012    337.32012     23942.92     23942.92    69.383255    69.383255 
Loop time of 5.4745 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.782 ns/day, 1.521 hours/ns, 182.665 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2842     | 5.2842     | 5.2842     |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031991   | 0.031991   | 0.031991   |   0.0 |  0.58
Output  | 5.5918e-05 | 5.5918e-05 | 5.5918e-05 |   0.0 |  0.00
Modify  | 0.13992    | 0.13992    | 0.13992    |   0.0 |  2.56
Other   |            | 0.01838    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132682.0 ave      132682 max      132682 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132682
Ave neighs/atom = 66.341000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.484225082045, Press = -1.48435866205637
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -8385.5566   -8385.5566   -8472.7171   -8472.7171    337.32012    337.32012     23942.92     23942.92    69.383255    69.383255 
   53000   -8383.2832   -8383.2832    -8472.481    -8472.481    345.20471    345.20471    23978.349    23978.349   -2353.7089   -2353.7089 
Loop time of 5.48077 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.764 ns/day, 1.522 hours/ns, 182.456 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2905     | 5.2905     | 5.2905     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031969   | 0.031969   | 0.031969   |   0.0 |  0.58
Output  | 5.4482e-05 | 5.4482e-05 | 5.4482e-05 |   0.0 |  0.00
Modify  | 0.13987    | 0.13987    | 0.13987    |   0.0 |  2.55
Other   |            | 0.01841    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132668.0 ave      132668 max      132668 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132668
Ave neighs/atom = 66.334000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.509730493453, Press = 0.128894256504338
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -8383.2832   -8383.2832    -8472.481    -8472.481    345.20471    345.20471    23978.349    23978.349   -2353.7089   -2353.7089 
   54000   -8387.9081   -8387.9081   -8473.5666   -8473.5666     331.5072     331.5072    23929.161    23929.161    787.12272    787.12272 
Loop time of 5.47216 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.789 ns/day, 1.520 hours/ns, 182.743 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2822     | 5.2822     | 5.2822     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031985   | 0.031985   | 0.031985   |   0.0 |  0.58
Output  | 5.451e-05  | 5.451e-05  | 5.451e-05  |   0.0 |  0.00
Modify  | 0.13955    | 0.13955    | 0.13955    |   0.0 |  2.55
Other   |            | 0.01833    |            |       |  0.34

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

Total # of neighbors = 132404
Ave neighs/atom = 66.202000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.493116950928, Press = 0.09145073216712
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -8387.9081   -8387.9081   -8473.5666   -8473.5666     331.5072     331.5072    23929.161    23929.161    787.12272    787.12272 
   55000   -8384.3585   -8384.3585    -8471.034    -8471.034    335.44299    335.44299    23943.118    23943.118    316.14129    316.14129 
Loop time of 5.48187 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.761 ns/day, 1.523 hours/ns, 182.420 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2918     | 5.2918     | 5.2918     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032024   | 0.032024   | 0.032024   |   0.0 |  0.58
Output  | 5.544e-05  | 5.544e-05  | 5.544e-05  |   0.0 |  0.00
Modify  | 0.13968    | 0.13968    | 0.13968    |   0.0 |  2.55
Other   |            | 0.01836    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132718.0 ave      132718 max      132718 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132718
Ave neighs/atom = 66.359000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.492224622806, Press = -0.57818469479259
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -8384.3585   -8384.3585    -8471.034    -8471.034    335.44299    335.44299    23943.118    23943.118    316.14129    316.14129 
   56000     -8387.31     -8387.31   -8472.9556   -8472.9556    331.45757    331.45757    23963.414    23963.414   -1393.5678   -1393.5678 
Loop time of 5.46848 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.800 ns/day, 1.519 hours/ns, 182.866 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2784     | 5.2784     | 5.2784     |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031907   | 0.031907   | 0.031907   |   0.0 |  0.58
Output  | 5.5393e-05 | 5.5393e-05 | 5.5393e-05 |   0.0 |  0.00
Modify  | 0.13971    | 0.13971    | 0.13971    |   0.0 |  2.55
Other   |            | 0.01836    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132914.0 ave      132914 max      132914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132914
Ave neighs/atom = 66.457000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.483320976876, Press = -0.689877134664369
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000     -8387.31     -8387.31   -8472.9556   -8472.9556    331.45757    331.45757    23963.414    23963.414   -1393.5678   -1393.5678 
   57000    -8385.167    -8385.167   -8473.3285   -8473.3285    341.19413    341.19413    23917.758    23917.758    1744.5729    1744.5729 
Loop time of 5.47102 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.792 ns/day, 1.520 hours/ns, 182.781 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.281      | 5.281      | 5.281      |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031956   | 0.031956   | 0.031956   |   0.0 |  0.58
Output  | 5.5017e-05 | 5.5017e-05 | 5.5017e-05 |   0.0 |  0.00
Modify  | 0.13963    | 0.13963    | 0.13963    |   0.0 |  2.55
Other   |            | 0.0184     |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132540.0 ave      132540 max      132540 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132540
Ave neighs/atom = 66.270000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.533475755624, Press = 1.02544628965755
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000    -8385.167    -8385.167   -8473.3285   -8473.3285    341.19413    341.19413    23917.758    23917.758    1744.5729    1744.5729 
   58000   -8381.9769   -8381.9769   -8470.6883   -8470.6883    343.32255    343.32255    23950.608    23950.608    1.5839249    1.5839249 
Loop time of 5.48123 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.763 ns/day, 1.523 hours/ns, 182.441 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2911     | 5.2911     | 5.2911     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032001   | 0.032001   | 0.032001   |   0.0 |  0.58
Output  | 8.6604e-05 | 8.6604e-05 | 8.6604e-05 |   0.0 |  0.00
Modify  | 0.13964    | 0.13964    | 0.13964    |   0.0 |  2.55
Other   |            | 0.01843    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132874.0 ave      132874 max      132874 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132874
Ave neighs/atom = 66.437000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.551070113952, Press = -2.49024601031819
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -8381.9769   -8381.9769   -8470.6883   -8470.6883    343.32255    343.32255    23950.608    23950.608    1.5839249    1.5839249 
   59000   -8385.5122   -8385.5122   -8471.0337   -8471.0337    330.97711    330.97711     23974.42     23974.42   -1730.3504   -1730.3504 
Loop time of 5.47705 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.775 ns/day, 1.521 hours/ns, 182.580 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.287      | 5.287      | 5.287      |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032061   | 0.032061   | 0.032061   |   0.0 |  0.59
Output  | 5.5535e-05 | 5.5535e-05 | 5.5535e-05 |   0.0 |  0.00
Modify  | 0.13956    | 0.13956    | 0.13956    |   0.0 |  2.55
Other   |            | 0.01836    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132812.0 ave      132812 max      132812 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132812
Ave neighs/atom = 66.406000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.532258146757, Press = 0.991814498683253
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -8385.5122   -8385.5122   -8471.0337   -8471.0337    330.97711    330.97711     23974.42     23974.42   -1730.3504   -1730.3504 
   60000    -8381.694    -8381.694   -8470.0089   -8470.0089    341.78754    341.78754    23922.911    23922.911    2013.9277    2013.9277 
Loop time of 5.46472 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.811 ns/day, 1.518 hours/ns, 182.992 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2747     | 5.2747     | 5.2747     |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031901   | 0.031901   | 0.031901   |   0.0 |  0.58
Output  | 5.489e-05  | 5.489e-05  | 5.489e-05  |   0.0 |  0.00
Modify  | 0.13977    | 0.13977    | 0.13977    |   0.0 |  2.56
Other   |            | 0.01833    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132548.0 ave      132548 max      132548 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132548
Ave neighs/atom = 66.274000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.51999337627, Press = -0.1506867518916
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000    -8381.694    -8381.694   -8470.0089   -8470.0089    341.78754    341.78754    23922.911    23922.911    2013.9277    2013.9277 
   61000   -8387.5281   -8387.5281   -8472.7321   -8472.7321    329.74826    329.74826    23962.728    23962.728   -1256.6782   -1256.6782 
Loop time of 5.4926 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.730 ns/day, 1.526 hours/ns, 182.063 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.3024     | 5.3024     | 5.3024     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032033   | 0.032033   | 0.032033   |   0.0 |  0.58
Output  | 5.4267e-05 | 5.4267e-05 | 5.4267e-05 |   0.0 |  0.00
Modify  | 0.13968    | 0.13968    | 0.13968    |   0.0 |  2.54
Other   |            | 0.0184     |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      133014.0 ave      133014 max      133014 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 133014
Ave neighs/atom = 66.507000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.526155893674, Press = -1.51773298213424
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -8387.5281   -8387.5281   -8472.7321   -8472.7321    329.74826    329.74826    23962.728    23962.728   -1256.6782   -1256.6782 
   62000   -8381.2494   -8381.2494   -8468.8848   -8468.8848    339.15781    339.15781    23963.629    23963.629   -634.60698   -634.60698 
Loop time of 5.47855 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.771 ns/day, 1.522 hours/ns, 182.530 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2883     | 5.2883     | 5.2883     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032032   | 0.032032   | 0.032032   |   0.0 |  0.58
Output  | 5.5976e-05 | 5.5976e-05 | 5.5976e-05 |   0.0 |  0.00
Modify  | 0.13978    | 0.13978    | 0.13978    |   0.0 |  2.55
Other   |            | 0.01838    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132372.0 ave      132372 max      132372 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132372
Ave neighs/atom = 66.186000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.553137986976, Press = 0.492345477952456
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -8381.2494   -8381.2494   -8468.8848   -8468.8848    339.15781    339.15781    23963.629    23963.629   -634.60698   -634.60698 
   63000   -8386.1037   -8386.1037   -8472.6862   -8472.6862    335.08294    335.08294    23919.698    23919.698    1607.6432    1607.6432 
Loop time of 5.48133 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.763 ns/day, 1.523 hours/ns, 182.438 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2909     | 5.2909     | 5.2909     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03198    | 0.03198    | 0.03198    |   0.0 |  0.58
Output  | 5.4952e-05 | 5.4952e-05 | 5.4952e-05 |   0.0 |  0.00
Modify  | 0.14004    | 0.14004    | 0.14004    |   0.0 |  2.55
Other   |            | 0.01837    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132710.0 ave      132710 max      132710 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132710
Ave neighs/atom = 66.355000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.567630846902, Press = -1.00118216054032
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -8386.1037   -8386.1037   -8472.6862   -8472.6862    335.08294    335.08294    23919.698    23919.698    1607.6432    1607.6432 
   64000   -8384.1969   -8384.1969   -8469.7025   -8469.7025    330.91521    330.91521     24036.33     24036.33   -5644.1838   -5644.1838 
Loop time of 5.48211 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.760 ns/day, 1.523 hours/ns, 182.412 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2917     | 5.2917     | 5.2917     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032224   | 0.032224   | 0.032224   |   0.0 |  0.59
Output  | 5.4715e-05 | 5.4715e-05 | 5.4715e-05 |   0.0 |  0.00
Modify  | 0.13977    | 0.13977    | 0.13977    |   0.0 |  2.55
Other   |            | 0.0184     |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132904.0 ave      132904 max      132904 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132904
Ave neighs/atom = 66.452000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.614659287659, Press = -0.0511502390295833
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -8384.1969   -8384.1969   -8469.7025   -8469.7025    330.91521    330.91521     24036.33     24036.33   -5644.1838   -5644.1838 
   65000   -8384.0896   -8384.0896   -8471.2725   -8471.2725    337.40658    337.40658     23922.94     23922.94    1664.9842    1664.9842 
Loop time of 5.47474 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.782 ns/day, 1.521 hours/ns, 182.657 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2843     | 5.2843     | 5.2843     |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032111   | 0.032111   | 0.032111   |   0.0 |  0.59
Output  | 5.5888e-05 | 5.5888e-05 | 5.5888e-05 |   0.0 |  0.00
Modify  | 0.13984    | 0.13984    | 0.13984    |   0.0 |  2.55
Other   |            | 0.01845    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132276.0 ave      132276 max      132276 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132276
Ave neighs/atom = 66.138000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.617708605953, Press = 0.709244923594493
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -8384.0896   -8384.0896   -8471.2725   -8471.2725    337.40658    337.40658     23922.94     23922.94    1664.9842    1664.9842 
   66000   -8386.5571   -8386.5571     -8472.44     -8472.44     332.3756     332.3756    23945.187    23945.187   -13.737062   -13.737062 
Loop time of 5.4838 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.755 ns/day, 1.523 hours/ns, 182.355 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2937     | 5.2937     | 5.2937     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032007   | 0.032007   | 0.032007   |   0.0 |  0.58
Output  | 5.5094e-05 | 5.5094e-05 | 5.5094e-05 |   0.0 |  0.00
Modify  | 0.13963    | 0.13963    | 0.13963    |   0.0 |  2.55
Other   |            | 0.01843    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132888.0 ave      132888 max      132888 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132888
Ave neighs/atom = 66.444000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.631697056368, Press = -1.02768447737786
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000   -8386.5571   -8386.5571     -8472.44     -8472.44     332.3756     332.3756    23945.187    23945.187   -13.737062   -13.737062 
   67000   -8384.7823   -8384.7823   -8471.1693   -8471.1693    334.32642    334.32642    23954.046    23954.046   -387.90245   -387.90245 
Loop time of 5.50052 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.708 ns/day, 1.528 hours/ns, 181.801 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.31       | 5.31       | 5.31       |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032053   | 0.032053   | 0.032053   |   0.0 |  0.58
Output  | 5.4741e-05 | 5.4741e-05 | 5.4741e-05 |   0.0 |  0.00
Modify  | 0.13996    | 0.13996    | 0.13996    |   0.0 |  2.54
Other   |            | 0.01841    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132934.0 ave      132934 max      132934 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132934
Ave neighs/atom = 66.467000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.63262002636, Press = 0.418612078112529
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000   -8384.7823   -8384.7823   -8471.1693   -8471.1693    334.32642    334.32642    23954.046    23954.046   -387.90245   -387.90245 
   68000   -8380.5592   -8380.5592   -8468.6017   -8468.6017    340.73359    340.73359    23924.633    23924.633    2197.1338    2197.1338 
Loop time of 5.47749 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.774 ns/day, 1.522 hours/ns, 182.565 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2871     | 5.2871     | 5.2871     |   0.0 | 96.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031929   | 0.031929   | 0.031929   |   0.0 |  0.58
Output  | 7.807e-05  | 7.807e-05  | 7.807e-05  |   0.0 |  0.00
Modify  | 0.13994    | 0.13994    | 0.13994    |   0.0 |  2.55
Other   |            | 0.01844    |            |       |  0.34

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

Total # of neighbors = 132856
Ave neighs/atom = 66.428000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.628510809041, Press = -0.777399196640467
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   68000   -8380.5592   -8380.5592   -8468.6017   -8468.6017    340.73359    340.73359    23924.633    23924.633    2197.1338    2197.1338 
   69000   -8385.6055   -8385.6055   -8469.5951   -8469.5951    325.04817    325.04817    24028.837    24028.837   -5257.7008   -5257.7008 
Loop time of 5.47972 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.767 ns/day, 1.522 hours/ns, 182.491 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2895     | 5.2895     | 5.2895     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032016   | 0.032016   | 0.032016   |   0.0 |  0.58
Output  | 4.7559e-05 | 4.7559e-05 | 4.7559e-05 |   0.0 |  0.00
Modify  | 0.13979    | 0.13979    | 0.13979    |   0.0 |  2.55
Other   |            | 0.01837    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      133232.0 ave      133232 max      133232 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 133232
Ave neighs/atom = 66.616000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.648470534024, Press = -0.0763373101479653
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   69000   -8385.6055   -8385.6055   -8469.5951   -8469.5951    325.04817    325.04817    24028.837    24028.837   -5257.7008   -5257.7008 
   70000    -8387.522    -8387.522    -8472.858    -8472.858    330.25922    330.25922     23902.17     23902.17    2667.6293    2667.6293 
Loop time of 5.48355 on 1 procs for 1000 steps with 2000 atoms

Performance: 15.756 ns/day, 1.523 hours/ns, 182.364 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.2938     | 5.2938     | 5.2938     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03191    | 0.03191    | 0.03191    |   0.0 |  0.58
Output  | 4.7356e-05 | 4.7356e-05 | 4.7356e-05 |   0.0 |  0.00
Modify  | 0.13948    | 0.13948    | 0.13948    |   0.0 |  2.54
Other   |            | 0.01835    |            |       |  0.33

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132422.0 ave      132422 max      132422 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132422
Ave neighs/atom = 66.211000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.635475651117, Press = 0.874313059062142
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   70000    -8387.522    -8387.522    -8472.858    -8472.858    330.25922    330.25922     23902.17     23902.17    2667.6293    2667.6293 
   71000   -8384.1666   -8384.1666   -8471.3366   -8471.3366    337.35687    337.35687    23950.247    23950.247   -182.77997   -182.77997 
Loop time of 5.37846 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.064 ns/day, 1.494 hours/ns, 185.927 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1927     | 5.1927     | 5.1927     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03173    | 0.03173    | 0.03173    |   0.0 |  0.59
Output  | 4.7597e-05 | 4.7597e-05 | 4.7597e-05 |   0.0 |  0.00
Modify  | 0.13589    | 0.13589    | 0.13589    |   0.0 |  2.53
Other   |            | 0.01807    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      133128.0 ave      133128 max      133128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 133128
Ave neighs/atom = 66.564000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.582791964423, Press = -1.11698913687205
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   71000   -8384.1666   -8384.1666   -8471.3366   -8471.3366    337.35687    337.35687    23950.247    23950.247   -182.77997   -182.77997 
   72000   -8383.4547   -8383.4547   -8469.6353   -8469.6353    333.52786    333.52786    23974.539    23974.539   -1538.4252   -1538.4252 
Loop time of 5.35693 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.129 ns/day, 1.488 hours/ns, 186.674 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.171      | 5.171      | 5.171      |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031708   | 0.031708   | 0.031708   |   0.0 |  0.59
Output  | 4.9525e-05 | 4.9525e-05 | 4.9525e-05 |   0.0 |  0.00
Modify  | 0.13612    | 0.13612    | 0.13612    |   0.0 |  2.54
Other   |            | 0.01808    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132718.0 ave      132718 max      132718 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132718
Ave neighs/atom = 66.359000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.591452840343, Press = 0.574238293840444
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   72000   -8383.4547   -8383.4547   -8469.6353   -8469.6353    333.52786    333.52786    23974.539    23974.539   -1538.4252   -1538.4252 
   73000   -8381.0283   -8381.0283   -8470.7441   -8470.7441    347.20976    347.20976    23928.831    23928.831    1452.7145    1452.7145 
Loop time of 5.36017 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.119 ns/day, 1.489 hours/ns, 186.561 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1745     | 5.1745     | 5.1745     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031608   | 0.031608   | 0.031608   |   0.0 |  0.59
Output  | 4.7515e-05 | 4.7515e-05 | 4.7515e-05 |   0.0 |  0.00
Modify  | 0.13591    | 0.13591    | 0.13591    |   0.0 |  2.54
Other   |            | 0.0181     |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132872.0 ave      132872 max      132872 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132872
Ave neighs/atom = 66.436000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.584110604306, Press = -0.167446072605529
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   73000   -8381.0283   -8381.0283   -8470.7441   -8470.7441    347.20976    347.20976    23928.831    23928.831    1452.7145    1452.7145 
   74000   -8385.9771   -8385.9771   -8472.2943   -8472.2943    334.05633    334.05633    23984.507    23984.507   -2761.9137   -2761.9137 
Loop time of 5.37462 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.076 ns/day, 1.493 hours/ns, 186.060 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1889     | 5.1889     | 5.1889     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031661   | 0.031661   | 0.031661   |   0.0 |  0.59
Output  | 4.56e-05   | 4.56e-05   | 4.56e-05   |   0.0 |  0.00
Modify  | 0.13598    | 0.13598    | 0.13598    |   0.0 |  2.53
Other   |            | 0.01807    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132908.0 ave      132908 max      132908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132908
Ave neighs/atom = 66.454000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.614951442263, Press = -0.832588290485141
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   74000   -8385.9771   -8385.9771   -8472.2943   -8472.2943    334.05633    334.05633    23984.507    23984.507   -2761.9137   -2761.9137 
   75000   -8380.8664   -8380.8664   -8469.4459   -8469.4459    342.81201    342.81201    23947.801    23947.801    436.51522    436.51522 
Loop time of 5.36222 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.113 ns/day, 1.490 hours/ns, 186.490 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1764     | 5.1764     | 5.1764     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031756   | 0.031756   | 0.031756   |   0.0 |  0.59
Output  | 4.3285e-05 | 4.3285e-05 | 4.3285e-05 |   0.0 |  0.00
Modify  | 0.13596    | 0.13596    | 0.13596    |   0.0 |  2.54
Other   |            | 0.01807    |            |       |  0.34

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

Total # of neighbors = 132438
Ave neighs/atom = 66.219000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.63474203335, Press = 1.88751548543004
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   75000   -8380.8664   -8380.8664   -8469.4459   -8469.4459    342.81201    342.81201    23947.801    23947.801    436.51522    436.51522 
   76000   -8386.4033   -8386.4033   -8473.3769   -8473.3769    336.59686    336.59686    23919.951    23919.951    1545.3559    1545.3559 
Loop time of 5.3758 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.072 ns/day, 1.493 hours/ns, 186.019 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.19       | 5.19       | 5.19       |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031616   | 0.031616   | 0.031616   |   0.0 |  0.59
Output  | 4.4281e-05 | 4.4281e-05 | 4.4281e-05 |   0.0 |  0.00
Modify  | 0.13608    | 0.13608    | 0.13608    |   0.0 |  2.53
Other   |            | 0.0181     |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132912.0 ave      132912 max      132912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132912
Ave neighs/atom = 66.456000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.652533776095, Press = -0.694671454013475
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   76000   -8386.4033   -8386.4033   -8473.3769   -8473.3769    336.59686    336.59686    23919.951    23919.951    1545.3559    1545.3559 
   77000   -8385.7415   -8385.7415    -8470.208    -8470.208    326.89429    326.89429      23956.5      23956.5   -465.55246   -465.55246 
Loop time of 5.37335 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.079 ns/day, 1.493 hours/ns, 186.104 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1876     | 5.1876     | 5.1876     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031688   | 0.031688   | 0.031688   |   0.0 |  0.59
Output  | 4.4762e-05 | 4.4762e-05 | 4.4762e-05 |   0.0 |  0.00
Modify  | 0.136      | 0.136      | 0.136      |   0.0 |  2.53
Other   |            | 0.01807    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132996.0 ave      132996 max      132996 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132996
Ave neighs/atom = 66.498000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.603643870111, Press = 0.41784954035757
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   77000   -8385.7415   -8385.7415    -8470.208    -8470.208    326.89429    326.89429      23956.5      23956.5   -465.55246   -465.55246 
   78000   -8381.4792   -8381.4792   -8468.9695   -8468.9695    338.59673    338.59673    23931.567    23931.567    1624.0476    1624.0476 
Loop time of 5.36103 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.116 ns/day, 1.489 hours/ns, 186.531 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.175      | 5.175      | 5.175      |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031735   | 0.031735   | 0.031735   |   0.0 |  0.59
Output  | 5.105e-05  | 5.105e-05  | 5.105e-05  |   0.0 |  0.00
Modify  | 0.13608    | 0.13608    | 0.13608    |   0.0 |  2.54
Other   |            | 0.01813    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132810.0 ave      132810 max      132810 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132810
Ave neighs/atom = 66.405000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.602048719337, Press = -0.0851199673201478
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   78000   -8381.4792   -8381.4792   -8468.9695   -8468.9695    338.59673    338.59673    23931.567    23931.567    1624.0476    1624.0476 
   79000   -8386.9351   -8386.9351   -8472.2096   -8472.2096    330.02111    330.02111    23977.339    23977.339   -2158.9886   -2158.9886 
Loop time of 5.36715 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.098 ns/day, 1.491 hours/ns, 186.319 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1813     | 5.1813     | 5.1813     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03174    | 0.03174    | 0.03174    |   0.0 |  0.59
Output  | 4.4389e-05 | 4.4389e-05 | 4.4389e-05 |   0.0 |  0.00
Modify  | 0.13598    | 0.13598    | 0.13598    |   0.0 |  2.53
Other   |            | 0.01807    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      133086.0 ave      133086 max      133086 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 133086
Ave neighs/atom = 66.543000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.614308847723, Press = -0.178711277231729
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   79000   -8386.9351   -8386.9351   -8472.2096   -8472.2096    330.02111    330.02111    23977.339    23977.339   -2158.9886   -2158.9886 
   80000   -8388.6447   -8388.6447   -8473.2712   -8473.2712    327.51303    327.51303    23874.333    23874.333    4547.7152    4547.7152 
Loop time of 5.36442 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.106 ns/day, 1.490 hours/ns, 186.413 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1786     | 5.1786     | 5.1786     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03171    | 0.03171    | 0.03171    |   0.0 |  0.59
Output  | 7.1022e-05 | 7.1022e-05 | 7.1022e-05 |   0.0 |  0.00
Modify  | 0.13597    | 0.13597    | 0.13597    |   0.0 |  2.53
Other   |            | 0.01812    |            |       |  0.34

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

Total # of neighbors = 132538
Ave neighs/atom = 66.269000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.608698370026, Press = 1.7940879670243
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   80000   -8388.6447   -8388.6447   -8473.2712   -8473.2712    327.51303    327.51303    23874.333    23874.333    4547.7152    4547.7152 
   81000   -8384.6799   -8384.6799   -8472.6198   -8472.6198    340.33628    340.33628    23949.848    23949.848   -401.07859   -401.07859 
Loop time of 5.36776 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.096 ns/day, 1.491 hours/ns, 186.298 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1818     | 5.1818     | 5.1818     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031712   | 0.031712   | 0.031712   |   0.0 |  0.59
Output  | 4.2031e-05 | 4.2031e-05 | 4.2031e-05 |   0.0 |  0.00
Modify  | 0.13607    | 0.13607    | 0.13607    |   0.0 |  2.53
Other   |            | 0.0181     |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      133230.0 ave      133230 max      133230 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 133230
Ave neighs/atom = 66.615000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.561954231947, Press = -1.00009714794474
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   81000   -8384.6799   -8384.6799   -8472.6198   -8472.6198    340.33628    340.33628    23949.848    23949.848   -401.07859   -401.07859 
   82000   -8388.1147   -8388.1147   -8475.1222   -8475.1222      336.728      336.728    23969.708    23969.708   -2160.7474   -2160.7474 
Loop time of 5.36459 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.106 ns/day, 1.490 hours/ns, 186.408 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.179      | 5.179      | 5.179      |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031614   | 0.031614   | 0.031614   |   0.0 |  0.59
Output  | 4.255e-05  | 4.255e-05  | 4.255e-05  |   0.0 |  0.00
Modify  | 0.1359     | 0.1359     | 0.1359     |   0.0 |  2.53
Other   |            | 0.01807    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132658.0 ave      132658 max      132658 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132658
Ave neighs/atom = 66.329000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.544739781138, Press = 0.396261756253609
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   82000   -8388.1147   -8388.1147   -8475.1222   -8475.1222      336.728      336.728    23969.708    23969.708   -2160.7474   -2160.7474 
   83000   -8384.4854   -8384.4854   -8472.2191   -8472.2191    339.53838    339.53838    23929.771    23929.771    1111.1315    1111.1315 
Loop time of 5.36487 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.105 ns/day, 1.490 hours/ns, 186.398 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1792     | 5.1792     | 5.1792     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031702   | 0.031702   | 0.031702   |   0.0 |  0.59
Output  | 3.9282e-05 | 3.9282e-05 | 3.9282e-05 |   0.0 |  0.00
Modify  | 0.13588    | 0.13588    | 0.13588    |   0.0 |  2.53
Other   |            | 0.01807    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132270.0 ave      132270 max      132270 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132270
Ave neighs/atom = 66.135000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.494482242223, Press = 0.58442928638758
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   83000   -8384.4854   -8384.4854   -8472.2191   -8472.2191    339.53838    339.53838    23929.771    23929.771    1111.1315    1111.1315 
   84000   -8386.2858   -8386.2858   -8471.8427   -8471.8427    331.11428    331.11428    23950.998    23950.998   -409.46251   -409.46251 
Loop time of 5.36025 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.119 ns/day, 1.489 hours/ns, 186.558 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1746     | 5.1746     | 5.1746     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031636   | 0.031636   | 0.031636   |   0.0 |  0.59
Output  | 3.9533e-05 | 3.9533e-05 | 3.9533e-05 |   0.0 |  0.00
Modify  | 0.13589    | 0.13589    | 0.13589    |   0.0 |  2.54
Other   |            | 0.01808    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132884.0 ave      132884 max      132884 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132884
Ave neighs/atom = 66.442000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.502530071851, Press = -0.231346748515276
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   84000   -8386.2858   -8386.2858   -8471.8427   -8471.8427    331.11428    331.11428    23950.998    23950.998   -409.46251   -409.46251 
   85000   -8381.6777   -8381.6777   -8469.9403   -8469.9403    341.58544    341.58544     23972.79     23972.79   -1278.2518   -1278.2518 
Loop time of 5.35877 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.123 ns/day, 1.489 hours/ns, 186.610 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1729     | 5.1729     | 5.1729     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031747   | 0.031747   | 0.031747   |   0.0 |  0.59
Output  | 5.3959e-05 | 5.3959e-05 | 5.3959e-05 |   0.0 |  0.00
Modify  | 0.13596    | 0.13596    | 0.13596    |   0.0 |  2.54
Other   |            | 0.01811    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132658.0 ave      132658 max      132658 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132658
Ave neighs/atom = 66.329000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.531647017271, Press = 0.552467058315255
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   85000   -8381.6777   -8381.6777   -8469.9403   -8469.9403    341.58544    341.58544     23972.79     23972.79   -1278.2518   -1278.2518 
   86000   -8384.9918   -8384.9918    -8472.867    -8472.867    340.08588    340.08588    23896.872    23896.872    3245.9461    3245.9461 
Loop time of 5.36767 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.096 ns/day, 1.491 hours/ns, 186.300 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1821     | 5.1821     | 5.1821     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031592   | 0.031592   | 0.031592   |   0.0 |  0.59
Output  | 3.9928e-05 | 3.9928e-05 | 3.9928e-05 |   0.0 |  0.00
Modify  | 0.13581    | 0.13581    | 0.13581    |   0.0 |  2.53
Other   |            | 0.01811    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132792.0 ave      132792 max      132792 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132792
Ave neighs/atom = 66.396000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.52067389975, Press = 0.0418213765020296
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   86000   -8384.9918   -8384.9918    -8472.867    -8472.867    340.08588    340.08588    23896.872    23896.872    3245.9461    3245.9461 
   87000   -8386.6245   -8386.6245   -8472.1743   -8472.1743    331.08674    331.08674    23986.914    23986.914   -2815.5669   -2815.5669 
Loop time of 5.36949 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.091 ns/day, 1.492 hours/ns, 186.237 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1838     | 5.1838     | 5.1838     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03158    | 0.03158    | 0.03158    |   0.0 |  0.59
Output  | 4.2214e-05 | 4.2214e-05 | 4.2214e-05 |   0.0 |  0.00
Modify  | 0.13597    | 0.13597    | 0.13597    |   0.0 |  2.53
Other   |            | 0.01812    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      133146.0 ave      133146 max      133146 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 133146
Ave neighs/atom = 66.573000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.493606592656, Press = -0.640194246691888
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   87000   -8386.6245   -8386.6245   -8472.1743   -8472.1743    331.08674    331.08674    23986.914    23986.914   -2815.5669   -2815.5669 
   88000   -8382.8232   -8382.8232   -8469.6652   -8469.6652    336.08755    336.08755    23943.739    23943.739     421.5734     421.5734 
Loop time of 5.37351 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.079 ns/day, 1.493 hours/ns, 186.098 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1878     | 5.1878     | 5.1878     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031676   | 0.031676   | 0.031676   |   0.0 |  0.59
Output  | 4.0957e-05 | 4.0957e-05 | 4.0957e-05 |   0.0 |  0.00
Modify  | 0.13592    | 0.13592    | 0.13592    |   0.0 |  2.53
Other   |            | 0.01812    |            |       |  0.34

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

Total # of neighbors = 132538
Ave neighs/atom = 66.269000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.467598323889, Press = 0.736547838936058
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   88000   -8382.8232   -8382.8232   -8469.6652   -8469.6652    336.08755    336.08755    23943.739    23943.739     421.5734     421.5734 
   89000   -8384.0932   -8384.0932   -8471.2611   -8471.2611    337.34879    337.34879    23943.628    23943.628     267.6146     267.6146 
Loop time of 5.36436 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.106 ns/day, 1.490 hours/ns, 186.416 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1786     | 5.1786     | 5.1786     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031786   | 0.031786   | 0.031786   |   0.0 |  0.59
Output  | 3.9805e-05 | 3.9805e-05 | 3.9805e-05 |   0.0 |  0.00
Modify  | 0.13584    | 0.13584    | 0.13584    |   0.0 |  2.53
Other   |            | 0.01812    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132852.0 ave      132852 max      132852 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132852
Ave neighs/atom = 66.426000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.469741615543, Press = -0.0576657390008211
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   89000   -8384.0932   -8384.0932   -8471.2611   -8471.2611    337.34879    337.34879    23943.628    23943.628     267.6146     267.6146 
   90000    -8384.699    -8384.699   -8472.0203   -8472.0203    337.94223    337.94223    23955.636    23955.636   -613.69215   -613.69215 
Loop time of 5.36375 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.108 ns/day, 1.490 hours/ns, 186.437 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.178      | 5.178      | 5.178      |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031764   | 0.031764   | 0.031764   |   0.0 |  0.59
Output  | 4.0174e-05 | 4.0174e-05 | 4.0174e-05 |   0.0 |  0.00
Modify  | 0.13593    | 0.13593    | 0.13593    |   0.0 |  2.53
Other   |            | 0.01807    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132770.0 ave      132770 max      132770 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132770
Ave neighs/atom = 66.385000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.497567957666, Press = 0.0175592492492542
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   90000    -8384.699    -8384.699   -8472.0203   -8472.0203    337.94223    337.94223    23955.636    23955.636   -613.69215   -613.69215 
   91000   -8383.1528   -8383.1528   -8470.3068   -8470.3068    337.29482    337.29482    23940.139    23940.139    720.10372    720.10372 
Loop time of 5.35144 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.145 ns/day, 1.487 hours/ns, 186.866 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1658     | 5.1658     | 5.1658     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031653   | 0.031653   | 0.031653   |   0.0 |  0.59
Output  | 4.3463e-05 | 4.3463e-05 | 4.3463e-05 |   0.0 |  0.00
Modify  | 0.1359     | 0.1359     | 0.1359     |   0.0 |  2.54
Other   |            | 0.01806    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132522.0 ave      132522 max      132522 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132522
Ave neighs/atom = 66.261000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.493486141707, Press = 0.0766645270527148
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   91000   -8383.1528   -8383.1528   -8470.3068   -8470.3068    337.29482    337.29482    23940.139    23940.139    720.10372    720.10372 
   92000   -8384.7877   -8384.7877   -8469.9876   -8469.9876    329.73238    329.73238    23963.803    23963.803   -928.34172   -928.34172 
Loop time of 5.35714 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.128 ns/day, 1.488 hours/ns, 186.667 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1713     | 5.1713     | 5.1713     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031787   | 0.031787   | 0.031787   |   0.0 |  0.59
Output  | 4.2051e-05 | 4.2051e-05 | 4.2051e-05 |   0.0 |  0.00
Modify  | 0.13594    | 0.13594    | 0.13594    |   0.0 |  2.54
Other   |            | 0.01805    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132884.0 ave      132884 max      132884 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132884
Ave neighs/atom = 66.442000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.508776791935, Press = -0.170292749189507
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   92000   -8384.7877   -8384.7877   -8469.9876   -8469.9876    329.73238    329.73238    23963.803    23963.803   -928.34172   -928.34172 
   93000   -8385.4777   -8385.4777   -8470.9691   -8470.9691    330.86066    330.86066    23928.158    23928.158    1372.3528    1372.3528 
Loop time of 5.37101 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.086 ns/day, 1.492 hours/ns, 186.185 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1853     | 5.1853     | 5.1853     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031648   | 0.031648   | 0.031648   |   0.0 |  0.59
Output  | 4.1097e-05 | 4.1097e-05 | 4.1097e-05 |   0.0 |  0.00
Modify  | 0.13597    | 0.13597    | 0.13597    |   0.0 |  2.53
Other   |            | 0.01805    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132806.0 ave      132806 max      132806 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132806
Ave neighs/atom = 66.403000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.475583233949, Press = 0.728163585256453
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   93000   -8385.4777   -8385.4777   -8470.9691   -8470.9691    330.86066    330.86066    23928.158    23928.158    1372.3528    1372.3528 
   94000   -8386.9307   -8386.9307   -8472.4948   -8472.4948    331.14171    331.14171    23933.991    23933.991    717.15062    717.15062 
Loop time of 5.35898 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.122 ns/day, 1.489 hours/ns, 186.603 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1733     | 5.1733     | 5.1733     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0317     | 0.0317     | 0.0317     |   0.0 |  0.59
Output  | 4.0703e-05 | 4.0703e-05 | 4.0703e-05 |   0.0 |  0.00
Modify  | 0.13586    | 0.13586    | 0.13586    |   0.0 |  2.54
Other   |            | 0.01807    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132858.0 ave      132858 max      132858 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132858
Ave neighs/atom = 66.429000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.478957106441, Press = -0.787776172112172
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   94000   -8386.9307   -8386.9307   -8472.4948   -8472.4948    331.14171    331.14171    23933.991    23933.991    717.15062    717.15062 
   95000   -8383.7242   -8383.7242     -8470.94     -8470.94    337.53402    337.53402    23989.842    23989.842   -2771.7181   -2771.7181 
Loop time of 5.36523 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.104 ns/day, 1.490 hours/ns, 186.385 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1792     | 5.1792     | 5.1792     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032085   | 0.032085   | 0.032085   |   0.0 |  0.60
Output  | 4.1527e-05 | 4.1527e-05 | 4.1527e-05 |   0.0 |  0.00
Modify  | 0.13589    | 0.13589    | 0.13589    |   0.0 |  2.53
Other   |            | 0.01803    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132776.0 ave      132776 max      132776 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132776
Ave neighs/atom = 66.388000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.504454615425, Press = 0.247429541387733
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   95000   -8383.7242   -8383.7242     -8470.94     -8470.94    337.53402    337.53402    23989.842    23989.842   -2771.7181   -2771.7181 
   96000   -8383.2985   -8383.2985   -8470.8804   -8470.8804    338.95136    338.95136    23920.011    23920.011    1988.5521    1988.5521 
Loop time of 5.35543 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.133 ns/day, 1.488 hours/ns, 186.726 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1697     | 5.1697     | 5.1697     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03169    | 0.03169    | 0.03169    |   0.0 |  0.59
Output  | 4.1e-05    | 4.1e-05    | 4.1e-05    |   0.0 |  0.00
Modify  | 0.13587    | 0.13587    | 0.13587    |   0.0 |  2.54
Other   |            | 0.01808    |            |       |  0.34

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

Total # of neighbors = 132524
Ave neighs/atom = 66.262000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.512060193032, Press = 0.281457201222648
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   96000   -8383.2985   -8383.2985   -8470.8804   -8470.8804    338.95136    338.95136    23920.011    23920.011    1988.5521    1988.5521 
   97000   -8387.9204   -8387.9204   -8472.1143   -8472.1143    325.83924    325.83924     23943.66     23943.66   -100.26302   -100.26302 
Loop time of 5.36274 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.111 ns/day, 1.490 hours/ns, 186.472 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1769     | 5.1769     | 5.1769     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031725   | 0.031725   | 0.031725   |   0.0 |  0.59
Output  | 4.1583e-05 | 4.1583e-05 | 4.1583e-05 |   0.0 |  0.00
Modify  | 0.13597    | 0.13597    | 0.13597    |   0.0 |  2.54
Other   |            | 0.01807    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      133248.0 ave      133248 max      133248 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 133248
Ave neighs/atom = 66.624000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.516425728278, Press = -0.416493372055039
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   97000   -8387.9204   -8387.9204   -8472.1143   -8472.1143    325.83924    325.83924     23943.66     23943.66   -100.26302   -100.26302 
   98000   -8383.7949   -8383.7949    -8471.728    -8471.728    340.31003    340.31003    23954.596    23954.596   -525.84069   -525.84069 
Loop time of 5.36501 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.104 ns/day, 1.490 hours/ns, 186.393 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1794     | 5.1794     | 5.1794     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031646   | 0.031646   | 0.031646   |   0.0 |  0.59
Output  | 4.0742e-05 | 4.0742e-05 | 4.0742e-05 |   0.0 |  0.00
Modify  | 0.13586    | 0.13586    | 0.13586    |   0.0 |  2.53
Other   |            | 0.01808    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132916.0 ave      132916 max      132916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132916
Ave neighs/atom = 66.458000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.486432942685, Press = 0.269754795708539
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   98000   -8383.7949   -8383.7949    -8471.728    -8471.728    340.31003    340.31003    23954.596    23954.596   -525.84069   -525.84069 
   99000   -8387.4268   -8387.4268   -8471.7407   -8471.7407    326.30343    326.30343    23937.962    23937.962    444.02829    444.02829 
Loop time of 5.3725 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.082 ns/day, 1.492 hours/ns, 186.133 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1867     | 5.1867     | 5.1867     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0317     | 0.0317     | 0.0317     |   0.0 |  0.59
Output  | 3.991e-05  | 3.991e-05  | 3.991e-05  |   0.0 |  0.00
Modify  | 0.13599    | 0.13599    | 0.13599    |   0.0 |  2.53
Other   |            | 0.0181     |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132652.0 ave      132652 max      132652 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132652
Ave neighs/atom = 66.326000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.468878623086, Press = -0.282449880822447
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   99000   -8387.4268   -8387.4268   -8471.7407   -8471.7407    326.30343    326.30343    23937.962    23937.962    444.02829    444.02829 
  100000   -8382.4195   -8382.4195    -8470.301    -8470.301    340.11036    340.11036    23990.547    23990.547   -2627.4588   -2627.4588 
Loop time of 5.35139 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.145 ns/day, 1.486 hours/ns, 186.867 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1657     | 5.1657     | 5.1657     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031619   | 0.031619   | 0.031619   |   0.0 |  0.59
Output  | 4.3673e-05 | 4.3673e-05 | 4.3673e-05 |   0.0 |  0.00
Modify  | 0.13583    | 0.13583    | 0.13583    |   0.0 |  2.54
Other   |            | 0.01815    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132968.0 ave      132968 max      132968 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132968
Ave neighs/atom = 66.484000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.470820041673, Press = 0.0617905894442398
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  100000   -8382.4195   -8382.4195    -8470.301    -8470.301    340.11036    340.11036    23990.547    23990.547   -2627.4588   -2627.4588 
  101000   -8386.7644   -8386.7644   -8471.8973   -8471.8973    329.47314    329.47314    23859.108    23859.108    5875.5607    5875.5607 
Loop time of 5.35928 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.122 ns/day, 1.489 hours/ns, 186.592 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1736     | 5.1736     | 5.1736     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031552   | 0.031552   | 0.031552   |   0.0 |  0.59
Output  | 4.0037e-05 | 4.0037e-05 | 4.0037e-05 |   0.0 |  0.00
Modify  | 0.13604    | 0.13604    | 0.13604    |   0.0 |  2.54
Other   |            | 0.01808    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132776.0 ave      132776 max      132776 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132776
Ave neighs/atom = 66.388000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.473231990591, Press = 0.92295563913343
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  101000   -8386.7644   -8386.7644   -8471.8973   -8471.8973    329.47314    329.47314    23859.108    23859.108    5875.5607    5875.5607 
  102000   -8386.2755   -8386.2755   -8473.2986   -8473.2986    336.78864    336.78864    23968.908    23968.908   -1830.7843   -1830.7843 
Loop time of 5.3627 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.111 ns/day, 1.490 hours/ns, 186.473 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1767     | 5.1767     | 5.1767     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03167    | 0.03167    | 0.03167    |   0.0 |  0.59
Output  | 6.4299e-05 | 6.4299e-05 | 6.4299e-05 |   0.0 |  0.00
Modify  | 0.13611    | 0.13611    | 0.13611    |   0.0 |  2.54
Other   |            | 0.01812    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      133562.0 ave      133562 max      133562 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 133562
Ave neighs/atom = 66.781000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.466623964771, Press = -0.866172367789237
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  102000   -8386.2755   -8386.2755   -8473.2986   -8473.2986    336.78864    336.78864    23968.908    23968.908   -1830.7843   -1830.7843 
  103000   -8387.1375   -8387.1375   -8471.1563   -8471.1563     325.1614     325.1614     23964.64     23964.64   -1332.0708   -1332.0708 
Loop time of 5.36327 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.110 ns/day, 1.490 hours/ns, 186.453 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1775     | 5.1775     | 5.1775     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031734   | 0.031734   | 0.031734   |   0.0 |  0.59
Output  | 4.6383e-05 | 4.6383e-05 | 4.6383e-05 |   0.0 |  0.00
Modify  | 0.13592    | 0.13592    | 0.13592    |   0.0 |  2.53
Other   |            | 0.0181     |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132610.0 ave      132610 max      132610 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132610
Ave neighs/atom = 66.305000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.429918872906, Press = 0.7358000443235
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  103000   -8387.1375   -8387.1375   -8471.1563   -8471.1563     325.1614     325.1614     23964.64     23964.64   -1332.0708   -1332.0708 
  104000    -8384.241    -8384.241   -8469.7542   -8469.7542    330.94465    330.94465    23921.008    23921.008    2093.4927    2093.4927 
Loop time of 5.36907 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.092 ns/day, 1.491 hours/ns, 186.252 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1829     | 5.1829     | 5.1829     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031968   | 0.031968   | 0.031968   |   0.0 |  0.60
Output  | 4.5824e-05 | 4.5824e-05 | 4.5824e-05 |   0.0 |  0.00
Modify  | 0.13593    | 0.13593    | 0.13593    |   0.0 |  2.53
Other   |            | 0.01817    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132662.0 ave      132662 max      132662 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132662
Ave neighs/atom = 66.331000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.424189023906, Press = -0.116179269812685
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  104000    -8384.241    -8384.241   -8469.7542   -8469.7542    330.94465    330.94465    23921.008    23921.008    2093.4927    2093.4927 
  105000   -8387.4078   -8387.4078   -8471.9646   -8471.9646    327.24378    327.24378    23973.843    23973.843   -1969.1996   -1969.1996 
Loop time of 5.36991 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.090 ns/day, 1.492 hours/ns, 186.223 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1842     | 5.1842     | 5.1842     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031744   | 0.031744   | 0.031744   |   0.0 |  0.59
Output  | 3.9992e-05 | 3.9992e-05 | 3.9992e-05 |   0.0 |  0.00
Modify  | 0.13585    | 0.13585    | 0.13585    |   0.0 |  2.53
Other   |            | 0.01808    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      133036.0 ave      133036 max      133036 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 133036
Ave neighs/atom = 66.518000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.425706749633, Press = -0.184829830011883
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  105000   -8387.4078   -8387.4078   -8471.9646   -8471.9646    327.24378    327.24378    23973.843    23973.843   -1969.1996   -1969.1996 
  106000   -8382.0017   -8382.0017   -8469.7845   -8469.7845    339.72841    339.72841    23939.164    23939.164    967.25851    967.25851 
Loop time of 5.36044 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.118 ns/day, 1.489 hours/ns, 186.552 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1748     | 5.1748     | 5.1748     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031648   | 0.031648   | 0.031648   |   0.0 |  0.59
Output  | 3.9557e-05 | 3.9557e-05 | 3.9557e-05 |   0.0 |  0.00
Modify  | 0.13589    | 0.13589    | 0.13589    |   0.0 |  2.54
Other   |            | 0.01805    |            |       |  0.34

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

Total # of neighbors = 132526
Ave neighs/atom = 66.263000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.433102973006, Press = 0.494926152115996
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  106000   -8382.0017   -8382.0017   -8469.7845   -8469.7845    339.72841    339.72841    23939.164    23939.164    967.25851    967.25851 
  107000   -8386.1233   -8386.1233   -8473.2353   -8473.2353    337.13248    337.13248    23946.215    23946.215   -224.72448   -224.72448 
Loop time of 5.37395 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.078 ns/day, 1.493 hours/ns, 186.083 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1883     | 5.1883     | 5.1883     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031658   | 0.031658   | 0.031658   |   0.0 |  0.59
Output  | 3.9961e-05 | 3.9961e-05 | 3.9961e-05 |   0.0 |  0.00
Modify  | 0.13587    | 0.13587    | 0.13587    |   0.0 |  2.53
Other   |            | 0.01808    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132956.0 ave      132956 max      132956 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132956
Ave neighs/atom = 66.478000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.4361100142, Press = -0.290472145508634
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  107000   -8386.1233   -8386.1233   -8473.2353   -8473.2353    337.13248    337.13248    23946.215    23946.215   -224.72448   -224.72448 
  108000   -8383.4259   -8383.4259   -8470.8411   -8470.8411    338.30612    338.30612    23965.279    23965.279   -918.60238   -918.60238 
Loop time of 5.37601 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.071 ns/day, 1.493 hours/ns, 186.012 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1903     | 5.1903     | 5.1903     |   0.0 | 96.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031646   | 0.031646   | 0.031646   |   0.0 |  0.59
Output  | 4.1245e-05 | 4.1245e-05 | 4.1245e-05 |   0.0 |  0.00
Modify  | 0.13593    | 0.13593    | 0.13593    |   0.0 |  2.53
Other   |            | 0.01809    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132734.0 ave      132734 max      132734 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132734
Ave neighs/atom = 66.367000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.451885978334, Press = 0.1341629183296
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  108000   -8383.4259   -8383.4259   -8470.8411   -8470.8411    338.30612    338.30612    23965.279    23965.279   -918.60238   -918.60238 
  109000   -8386.8335   -8386.8335   -8472.5198   -8472.5198    331.61493    331.61493    23932.123    23932.123     903.9331     903.9331 
Loop time of 5.36863 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.093 ns/day, 1.491 hours/ns, 186.267 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1829     | 5.1829     | 5.1829     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031646   | 0.031646   | 0.031646   |   0.0 |  0.59
Output  | 3.9588e-05 | 3.9588e-05 | 3.9588e-05 |   0.0 |  0.00
Modify  | 0.13596    | 0.13596    | 0.13596    |   0.0 |  2.53
Other   |            | 0.01809    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132580.0 ave      132580 max      132580 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132580
Ave neighs/atom = 66.290000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.448759921102, Press = 0.101349960441713
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  109000   -8386.8335   -8386.8335   -8472.5198   -8472.5198    331.61493    331.61493    23932.123    23932.123     903.9331     903.9331 
  110000   -8383.7512   -8383.7512   -8468.6596   -8468.6596    328.60441    328.60441     23954.87     23954.87   -90.345842   -90.345842 
Loop time of 5.36401 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.107 ns/day, 1.490 hours/ns, 186.428 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1781     | 5.1781     | 5.1781     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031804   | 0.031804   | 0.031804   |   0.0 |  0.59
Output  | 3.9854e-05 | 3.9854e-05 | 3.9854e-05 |   0.0 |  0.00
Modify  | 0.13598    | 0.13598    | 0.13598    |   0.0 |  2.54
Other   |            | 0.01809    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132558.0 ave      132558 max      132558 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132558
Ave neighs/atom = 66.279000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.42728696808, Press = -0.111600605760988
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  110000   -8383.7512   -8383.7512   -8468.6596   -8468.6596    328.60441    328.60441     23954.87     23954.87   -90.345842   -90.345842 
  111000   -8386.7376   -8386.7376   -8472.3353   -8472.3353    331.27189    331.27189    23956.502    23956.502   -817.82693   -817.82693 
Loop time of 5.37416 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.077 ns/day, 1.493 hours/ns, 186.075 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1883     | 5.1883     | 5.1883     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031714   | 0.031714   | 0.031714   |   0.0 |  0.59
Output  | 4.0691e-05 | 4.0691e-05 | 4.0691e-05 |   0.0 |  0.00
Modify  | 0.13599    | 0.13599    | 0.13599    |   0.0 |  2.53
Other   |            | 0.01808    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132928.0 ave      132928 max      132928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132928
Ave neighs/atom = 66.464000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.408578333637, Press = 0.340249514200196
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  111000   -8386.7376   -8386.7376   -8472.3353   -8472.3353    331.27189    331.27189    23956.502    23956.502   -817.82693   -817.82693 
  112000   -8387.5292   -8387.5292   -8472.8708   -8472.8708    330.28104    330.28104    23910.738    23910.738    2230.9577    2230.9577 
Loop time of 5.36086 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.117 ns/day, 1.489 hours/ns, 186.537 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1752     | 5.1752     | 5.1752     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031585   | 0.031585   | 0.031585   |   0.0 |  0.59
Output  | 4.0753e-05 | 4.0753e-05 | 4.0753e-05 |   0.0 |  0.00
Modify  | 0.13592    | 0.13592    | 0.13592    |   0.0 |  2.54
Other   |            | 0.0181     |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132684.0 ave      132684 max      132684 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132684
Ave neighs/atom = 66.342000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.410150234563, Press = 0.230524096858325
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  112000   -8387.5292   -8387.5292   -8472.8708   -8472.8708    330.28104    330.28104    23910.738    23910.738    2230.9577    2230.9577 
  113000   -8385.8891   -8385.8891   -8472.6817   -8472.6817    335.89622    335.89622    23977.392    23977.392   -2235.0966   -2235.0966 
Loop time of 5.36414 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.107 ns/day, 1.490 hours/ns, 186.423 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1784     | 5.1784     | 5.1784     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031656   | 0.031656   | 0.031656   |   0.0 |  0.59
Output  | 4.0266e-05 | 4.0266e-05 | 4.0266e-05 |   0.0 |  0.00
Modify  | 0.13603    | 0.13603    | 0.13603    |   0.0 |  2.54
Other   |            | 0.01806    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      133050.0 ave      133050 max      133050 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 133050
Ave neighs/atom = 66.525000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.390221241453, Press = -0.877540605394501
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  113000   -8385.8891   -8385.8891   -8472.6817   -8472.6817    335.89622    335.89622    23977.392    23977.392   -2235.0966   -2235.0966 
  114000   -8387.0404   -8387.0404   -8474.5716   -8474.5716     338.7549     338.7549    23962.697    23962.697     -1586.79     -1586.79 
Loop time of 5.35804 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.125 ns/day, 1.488 hours/ns, 186.635 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1724     | 5.1724     | 5.1724     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031593   | 0.031593   | 0.031593   |   0.0 |  0.59
Output  | 4.1459e-05 | 4.1459e-05 | 4.1459e-05 |   0.0 |  0.00
Modify  | 0.13592    | 0.13592    | 0.13592    |   0.0 |  2.54
Other   |            | 0.01804    |            |       |  0.34

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

Total # of neighbors = 132316
Ave neighs/atom = 66.158000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.381405947541, Press = 0.87472903544999
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  114000   -8387.0404   -8387.0404   -8474.5716   -8474.5716     338.7549     338.7549    23962.697    23962.697     -1586.79     -1586.79 
  115000   -8385.5634   -8385.5634   -8470.3322   -8470.3322    328.06397    328.06397    23921.749    23921.749    1971.2918    1971.2918 
Loop time of 5.35539 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.133 ns/day, 1.488 hours/ns, 186.728 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1697     | 5.1697     | 5.1697     |   0.0 | 96.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03164    | 0.03164    | 0.03164    |   0.0 |  0.59
Output  | 4.2957e-05 | 4.2957e-05 | 4.2957e-05 |   0.0 |  0.00
Modify  | 0.13589    | 0.13589    | 0.13589    |   0.0 |  2.54
Other   |            | 0.01808    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      132312.0 ave      132312 max      132312 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 132312
Ave neighs/atom = 66.156000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.352672885362, Press = 0.0678548894890139
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1615
  ghost atom cutoff = 6.1615
  binsize = 3.08075, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.1615
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.755 | 3.755 | 3.755 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  115000   -8385.5634   -8385.5634   -8470.3322   -8470.3322    328.06397    328.06397    23921.749    23921.749    1971.2918    1971.2918 
  116000   -8387.5169   -8387.5169    -8470.867    -8470.867    322.57349    322.57349     23946.53     23946.53     47.70337     47.70337 
Loop time of 5.36579 on 1 procs for 1000 steps with 2000 atoms

Performance: 16.102 ns/day, 1.490 hours/ns, 186.366 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.1801     | 5.1801     | 5.1801     |   0.0 | 96.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031581   | 0.031581   | 0.031581   |   0.0 |  0.59
Output  | 4.2052e-05 | 4.2052e-05 | 4.2052e-05 |   0.0 |  0.00
Modify  | 0.13595    | 0.13595    | 0.13595    |   0.0 |  2.53
Other   |            | 0.01808    |            |       |  0.34

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      133006.0 ave      133006 max      133006 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 133006
Ave neighs/atom = 66.503000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${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_T333.15.out"  else  "print 'not_converged'  file output/vol_T333.15.out"
print '${V}'  file output/vol_T333.15.out
23947.4665851892

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0