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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 3.031088918447495*${_u_distance}
variable latticeconst_converted equal 3.031088918447495*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  3.03108891844749
Lattice spacing in x,y,z = 3.0310889 3.0310889 3.0310889
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 (30.310889 30.310889 30.310889)
  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 (30.310889 30.310889 30.310889)
  create_atoms CPU = 0.001 seconds

variable mass_converted equal 50.9415*${_u_mass}
variable mass_converted equal 50.9415*1

kim_interactions V

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

kim interactions V
#=== BEGIN kim interactions ==================================
pair_style kim MEAM_LAMMPS_LeeBaskesKim_2001_V__MO_868364924829_000
pair_coeff * * V
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 50.9415

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 27848.1295338222    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 27848.1295338222/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 27848.1295338222/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 27848.1295338222/(1*1*${_u_distance})
variable      V0_metal equal 27848.1295338222/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 27848.1295338222*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 27848.1295338222 Angstroms^3

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

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

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

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

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

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

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

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

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

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

Your simulation uses code contributions which should be cited:

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

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

- OpenKIM potential: https://openkim.org/cite/MO_868364924829_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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -10534.588   -10534.588       -10600       -10600       253.15       253.15     27848.13     27848.13    2508.8612    2508.8612 
    1000   -10464.485   -10464.485   -10534.767   -10534.767    271.99847    271.99847     27998.13     27998.13    656.02742    656.02742 
Loop time of 77.4894 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.115 ns/day, 21.525 hours/ns, 12.905 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 77.061     | 77.061     | 77.061     |   0.0 | 99.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.057053   | 0.057053   | 0.057053   |   0.0 |  0.07
Output  | 0.00052753 | 0.00052753 | 0.00052753 |   0.0 |  0.00
Modify  | 0.32407    | 0.32407    | 0.32407    |   0.0 |  0.42
Other   |            | 0.04635    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      116000.0 ave      116000 max      116000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116000
Ave neighs/atom = 58.000000
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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -10464.485   -10464.485   -10534.767   -10534.767    271.99847    271.99847     27998.13     27998.13    656.02742    656.02742 
    2000   -10466.629   -10466.629   -10535.155   -10535.155    265.20295    265.20295    28035.149    28035.149   -1285.3311   -1285.3311 
Loop time of 84.5402 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.022 ns/day, 23.483 hours/ns, 11.829 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    | 84.106     | 84.106     | 84.106     |   0.0 | 99.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.057888   | 0.057888   | 0.057888   |   0.0 |  0.07
Output  | 0.00022601 | 0.00022601 | 0.00022601 |   0.0 |  0.00
Modify  | 0.33092    | 0.33092    | 0.33092    |   0.0 |  0.39
Other   |            | 0.04564    |            |       |  0.05

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115988.0 ave      115988 max      115988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115988
Ave neighs/atom = 57.994000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -10466.629   -10466.629   -10535.155   -10535.155    265.20295    265.20295    28035.149    28035.149   -1285.3311   -1285.3311 
    3000   -10466.807   -10466.807   -10531.055   -10531.055    248.64488    248.64488    28037.927    28037.927   -1089.4202   -1089.4202 
Loop time of 85.4467 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.011 ns/day, 23.735 hours/ns, 11.703 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 85.007     | 85.007     | 85.007     |   0.0 | 99.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.057999   | 0.057999   | 0.057999   |   0.0 |  0.07
Output  | 0.00022935 | 0.00022935 | 0.00022935 |   0.0 |  0.00
Modify  | 0.33533    | 0.33533    | 0.33533    |   0.0 |  0.39
Other   |            | 0.04569    |            |       |  0.05

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115994.0 ave      115994 max      115994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115994
Ave neighs/atom = 57.997000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -10466.807   -10466.807   -10531.055   -10531.055    248.64488    248.64488    28037.927    28037.927   -1089.4202   -1089.4202 
    4000   -10465.486   -10465.486   -10531.365   -10531.365    254.95615    254.95615    28025.196    28025.196   -642.10079   -642.10079 
Loop time of 85.9714 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.005 ns/day, 23.881 hours/ns, 11.632 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 85.527     | 85.527     | 85.527     |   0.0 | 99.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.058795   | 0.058795   | 0.058795   |   0.0 |  0.07
Output  | 0.00024095 | 0.00024095 | 0.00024095 |   0.0 |  0.00
Modify  | 0.33835    | 0.33835    | 0.33835    |   0.0 |  0.39
Other   |            | 0.04657    |            |       |  0.05

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115990.0 ave      115990 max      115990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115990
Ave neighs/atom = 57.995000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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 = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -10465.486   -10465.486   -10531.365   -10531.365    254.95615    254.95615    28025.196    28025.196   -642.10079   -642.10079 
    5000   -10466.731   -10466.731   -10529.024   -10529.024    241.07896    241.07896    27990.078    27990.078     1438.661     1438.661 
Loop time of 85.8027 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.007 ns/day, 23.834 hours/ns, 11.655 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 85.36      | 85.36      | 85.36      |   0.0 | 99.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.058236   | 0.058236   | 0.058236   |   0.0 |  0.07
Output  | 0.00016662 | 0.00016662 | 0.00016662 |   0.0 |  0.00
Modify  | 0.33803    | 0.33803    | 0.33803    |   0.0 |  0.39
Other   |            | 0.04592    |            |       |  0.05

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115992.0 ave      115992 max      115992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115992
Ave neighs/atom = 57.996000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.767012194668, Press = 91.4497495489971
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -10466.731   -10466.731   -10529.024   -10529.024    241.07896    241.07896    27990.078    27990.078     1438.661     1438.661 
    6000   -10464.993   -10464.993   -10531.167   -10531.167     256.0992     256.0992     27984.47     27984.47    1514.2188    1514.2188 
Loop time of 83.4257 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.036 ns/day, 23.174 hours/ns, 11.987 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 82.985     | 82.985     | 82.985     |   0.0 | 99.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.057253   | 0.057253   | 0.057253   |   0.0 |  0.07
Output  | 0.00017999 | 0.00017999 | 0.00017999 |   0.0 |  0.00
Modify  | 0.33905    | 0.33905    | 0.33905    |   0.0 |  0.41
Other   |            | 0.04424    |            |       |  0.05

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115990.0 ave      115990 max      115990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115990
Ave neighs/atom = 57.995000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.904180048875, Press = -27.4610485808404
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -10464.993   -10464.993   -10531.167   -10531.167     256.0992     256.0992     27984.47     27984.47    1514.2188    1514.2188 
    7000   -10466.972   -10466.972   -10531.817   -10531.817     250.9576     250.9576    28015.228    28015.228   -220.47439   -220.47439 
Loop time of 86.8388 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.995 ns/day, 24.122 hours/ns, 11.516 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 86.381     | 86.381     | 86.381     |   0.0 | 99.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.058346   | 0.058346   | 0.058346   |   0.0 |  0.07
Output  | 0.00017643 | 0.00017643 | 0.00017643 |   0.0 |  0.00
Modify  | 0.35297    | 0.35297    | 0.35297    |   0.0 |  0.41
Other   |            | 0.04581    |            |       |  0.05

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115996.0 ave      115996 max      115996 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115996
Ave neighs/atom = 57.998000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.804377903417, Press = -38.0312452374878
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -10466.972   -10466.972   -10531.817   -10531.817     250.9576     250.9576    28015.228    28015.228   -220.47439   -220.47439 
    8000   -10464.318   -10464.318   -10532.657   -10532.657    264.48105    264.48105    28074.663    28074.663   -3268.5175   -3268.5175 
Loop time of 87.082 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.992 ns/day, 24.189 hours/ns, 11.483 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 86.627     | 86.627     | 86.627     |   0.0 | 99.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.057921   | 0.057921   | 0.057921   |   0.0 |  0.07
Output  | 0.00012059 | 0.00012059 | 0.00012059 |   0.0 |  0.00
Modify  | 0.35173    | 0.35173    | 0.35173    |   0.0 |  0.40
Other   |            | 0.0456     |            |       |  0.05

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115996.0 ave      115996 max      115996 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115996
Ave neighs/atom = 57.998000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 254.127880004343, Press = -14.8757609940298
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -10464.318   -10464.318   -10532.657   -10532.657    264.48105    264.48105    28074.663    28074.663   -3268.5175   -3268.5175 
    9000   -10470.126   -10470.126   -10534.819   -10534.819     250.3695     250.3695     28031.99     28031.99   -1304.3511   -1304.3511 
Loop time of 87.205 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.991 ns/day, 24.224 hours/ns, 11.467 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 86.749     | 86.749     | 86.749     |   0.0 | 99.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.058073   | 0.058073   | 0.058073   |   0.0 |  0.07
Output  | 0.00018029 | 0.00018029 | 0.00018029 |   0.0 |  0.00
Modify  | 0.35271    | 0.35271    | 0.35271    |   0.0 |  0.40
Other   |            | 0.04529    |            |       |  0.05

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115990.0 ave      115990 max      115990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115990
Ave neighs/atom = 57.995000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.381892377308, Press = 1.2136661463235
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -10470.126   -10470.126   -10534.819   -10534.819     250.3695     250.3695     28031.99     28031.99   -1304.3511   -1304.3511 
   10000   -10465.646   -10465.646   -10530.779   -10530.779    252.07111    252.07111     28014.18     28014.18    146.03448    146.03448 
Loop time of 78.8701 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.095 ns/day, 21.908 hours/ns, 12.679 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    | 78.452     | 78.452     | 78.452     |   0.0 | 99.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.052903   | 0.052903   | 0.052903   |   0.0 |  0.07
Output  | 0.00019628 | 0.00019628 | 0.00019628 |   0.0 |  0.00
Modify  | 0.32197    | 0.32197    | 0.32197    |   0.0 |  0.41
Other   |            | 0.04313    |            |       |  0.05

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115992.0 ave      115992 max      115992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115992
Ave neighs/atom = 57.996000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.026288495289, Press = 4.06231581433735
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -10465.646   -10465.646   -10530.779   -10530.779    252.07111    252.07111     28014.18     28014.18    146.03448    146.03448 
   11000    -10468.84    -10468.84   -10532.346   -10532.346    245.77498    245.77498    27990.413    27990.413    1086.2613    1086.2613 
Loop time of 57.4183 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.505 ns/day, 15.950 hours/ns, 17.416 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    | 57.104     | 57.104     | 57.104     |   0.0 | 99.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04013    | 0.04013    | 0.04013    |   0.0 |  0.07
Output  | 0.00012897 | 0.00012897 | 0.00012897 |   0.0 |  0.00
Modify  | 0.23935    | 0.23935    | 0.23935    |   0.0 |  0.42
Other   |            | 0.03508    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115988.0 ave      115988 max      115988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115988
Ave neighs/atom = 57.994000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.738410272628, Press = 0.771157951037962
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000    -10468.84    -10468.84   -10532.346   -10532.346    245.77498    245.77498    27990.413    27990.413    1086.2613    1086.2613 
   12000    -10465.69    -10465.69     -10530.7     -10530.7    251.59599    251.59599    27981.048    27981.048    1749.9321    1749.9321 
Loop time of 54.4617 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.586 ns/day, 15.128 hours/ns, 18.362 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 54.156     | 54.156     | 54.156     |   0.0 | 99.44
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038538   | 0.038538   | 0.038538   |   0.0 |  0.07
Output  | 0.00018275 | 0.00018275 | 0.00018275 |   0.0 |  0.00
Modify  | 0.23192    | 0.23192    | 0.23192    |   0.0 |  0.43
Other   |            | 0.03497    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115994.0 ave      115994 max      115994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115994
Ave neighs/atom = 57.997000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.550855051929, Press = -4.81458284484458
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000    -10465.69    -10465.69     -10530.7     -10530.7    251.59599    251.59599    27981.048    27981.048    1749.9321    1749.9321 
   13000   -10467.648   -10467.648   -10534.765   -10534.765    259.75042    259.75042     28018.11     28018.11   -323.27026   -323.27026 
Loop time of 62.9509 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.372 ns/day, 17.486 hours/ns, 15.885 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 62.612     | 62.612     | 62.612     |   0.0 | 99.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043572   | 0.043572   | 0.043572   |   0.0 |  0.07
Output  | 0.00011278 | 0.00011278 | 0.00011278 |   0.0 |  0.00
Modify  | 0.25933    | 0.25933    | 0.25933    |   0.0 |  0.41
Other   |            | 0.03614    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115990.0 ave      115990 max      115990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115990
Ave neighs/atom = 57.995000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.526149215214, Press = -12.9346665809801
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -10467.648   -10467.648   -10534.765   -10534.765    259.75042    259.75042     28018.11     28018.11   -323.27026   -323.27026 
   14000   -10466.033   -10466.033   -10532.617   -10532.617    257.68711    257.68711    28058.735    28058.735   -2487.6081   -2487.6081 
Loop time of 57.3066 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.508 ns/day, 15.918 hours/ns, 17.450 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 56.995     | 56.995     | 56.995     |   0.0 | 99.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039621   | 0.039621   | 0.039621   |   0.0 |  0.07
Output  | 0.00012616 | 0.00012616 | 0.00012616 |   0.0 |  0.00
Modify  | 0.23847    | 0.23847    | 0.23847    |   0.0 |  0.42
Other   |            | 0.03382    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115994.0 ave      115994 max      115994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115994
Ave neighs/atom = 57.997000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.601931619715, Press = -4.22393807608298
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -10466.033   -10466.033   -10532.617   -10532.617    257.68711    257.68711    28058.735    28058.735   -2487.6081   -2487.6081 
   15000   -10467.807   -10467.807    -10533.52    -10533.52    254.31667    254.31667    28043.013    28043.013   -1807.4001   -1807.4001 
Loop time of 51.2326 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.686 ns/day, 14.231 hours/ns, 19.519 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.946     | 50.946     | 50.946     |   0.0 | 99.44
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036216   | 0.036216   | 0.036216   |   0.0 |  0.07
Output  | 0.0002248  | 0.0002248  | 0.0002248  |   0.0 |  0.00
Modify  | 0.21712    | 0.21712    | 0.21712    |   0.0 |  0.42
Other   |            | 0.03299    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115994.0 ave      115994 max      115994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115994
Ave neighs/atom = 57.997000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.405187843732, Press = 1.98878314459699
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -10467.807   -10467.807    -10533.52    -10533.52    254.31667    254.31667    28043.013    28043.013   -1807.4001   -1807.4001 
   16000   -10465.645   -10465.645   -10533.872   -10533.872    264.04299    264.04299    28014.548    28014.548   -54.866533   -54.866533 
Loop time of 52.2425 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.654 ns/day, 14.512 hours/ns, 19.142 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.949     | 51.949     | 51.949     |   0.0 | 99.44
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03674    | 0.03674    | 0.03674    |   0.0 |  0.07
Output  | 0.00012147 | 0.00012147 | 0.00012147 |   0.0 |  0.00
Modify  | 0.22314    | 0.22314    | 0.22314    |   0.0 |  0.43
Other   |            | 0.03396    |            |       |  0.07

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115996.0 ave      115996 max      115996 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115996
Ave neighs/atom = 57.998000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.434455938405, Press = 3.15900526406166
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -10465.645   -10465.645   -10533.872   -10533.872    264.04299    264.04299    28014.548    28014.548   -54.866533   -54.866533 
   17000   -10466.379   -10466.379   -10532.352   -10532.352    255.32494    255.32494    27996.016    27996.016    748.36993    748.36993 
Loop time of 53.5903 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.612 ns/day, 14.886 hours/ns, 18.660 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 53.289     | 53.289     | 53.289     |   0.0 | 99.44
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038135   | 0.038135   | 0.038135   |   0.0 |  0.07
Output  | 0.00019388 | 0.00019388 | 0.00019388 |   0.0 |  0.00
Modify  | 0.22913    | 0.22913    | 0.22913    |   0.0 |  0.43
Other   |            | 0.03414    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115996.0 ave      115996 max      115996 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115996
Ave neighs/atom = 57.998000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.500098595276, Press = 0.506162814681302
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -10466.379   -10466.379   -10532.352   -10532.352    255.32494    255.32494    27996.016    27996.016    748.36993    748.36993 
   18000    -10467.07    -10467.07    -10534.63    -10534.63     261.4633     261.4633    27997.806    27997.806    619.61633    619.61633 
Loop time of 49.6933 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.739 ns/day, 13.804 hours/ns, 20.123 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 49.419     | 49.419     | 49.419     |   0.0 | 99.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034553   | 0.034553   | 0.034553   |   0.0 |  0.07
Output  | 0.00020553 | 0.00020553 | 0.00020553 |   0.0 |  0.00
Modify  | 0.20897    | 0.20897    | 0.20897    |   0.0 |  0.42
Other   |            | 0.03017    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115992.0 ave      115992 max      115992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115992
Ave neighs/atom = 57.996000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.678684755915, Press = -1.48495115024296
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000    -10467.07    -10467.07    -10534.63    -10534.63     261.4633     261.4633    27997.806    27997.806    619.61633    619.61633 
   19000   -10464.244   -10464.244   -10529.847   -10529.847    253.89052    253.89052    28015.837    28015.837    51.725656    51.725656 
Loop time of 48.2476 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.791 ns/day, 13.402 hours/ns, 20.726 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    | 47.98      | 47.98      | 47.98      |   0.0 | 99.44
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.034032   | 0.034032   | 0.034032   |   0.0 |  0.07
Output  | 0.00011615 | 0.00011615 | 0.00011615 |   0.0 |  0.00
Modify  | 0.20401    | 0.20401    | 0.20401    |   0.0 |  0.42
Other   |            | 0.02982    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115990.0 ave      115990 max      115990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115990
Ave neighs/atom = 57.995000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.794060552367, Press = -1.79797966642977
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -10464.244   -10464.244   -10529.847   -10529.847    253.89052    253.89052    28015.837    28015.837    51.725656    51.725656 
   20000   -10468.188   -10468.188   -10532.208   -10532.208    247.76302    247.76302    28026.095    28026.095   -781.82334   -781.82334 
Loop time of 53.2277 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.623 ns/day, 14.785 hours/ns, 18.787 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    | 52.928     | 52.928     | 52.928     |   0.0 | 99.44
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037675   | 0.037675   | 0.037675   |   0.0 |  0.07
Output  | 0.0001803  | 0.0001803  | 0.0001803  |   0.0 |  0.00
Modify  | 0.22734    | 0.22734    | 0.22734    |   0.0 |  0.43
Other   |            | 0.03482    |            |       |  0.07

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115994.0 ave      115994 max      115994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115994
Ave neighs/atom = 57.997000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.902274024052, Press = -1.22949256368588
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -10468.188   -10468.188   -10532.208   -10532.208    247.76302    247.76302    28026.095    28026.095   -781.82334   -781.82334 
   21000    -10466.06    -10466.06   -10532.746   -10532.746    258.08537    258.08537    28040.336    28040.336   -1503.3461   -1503.3461 
Loop time of 57.2052 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.510 ns/day, 15.890 hours/ns, 17.481 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 56.892     | 56.892     | 56.892     |   0.0 | 99.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039822   | 0.039822   | 0.039822   |   0.0 |  0.07
Output  | 0.00020743 | 0.00020743 | 0.00020743 |   0.0 |  0.00
Modify  | 0.23931    | 0.23931    | 0.23931    |   0.0 |  0.42
Other   |            | 0.03406    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115994.0 ave      115994 max      115994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115994
Ave neighs/atom = 57.997000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.898612085977, Press = 1.66281137526547
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000    -10466.06    -10466.06   -10532.746   -10532.746    258.08537    258.08537    28040.336    28040.336   -1503.3461   -1503.3461 
   22000   -10467.905   -10467.905   -10532.989   -10532.989    251.88126    251.88126    27982.235    27982.235    1683.0664    1683.0664 
Loop time of 46.5292 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.857 ns/day, 12.925 hours/ns, 21.492 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.272     | 46.272     | 46.272     |   0.0 | 99.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032541   | 0.032541   | 0.032541   |   0.0 |  0.07
Output  | 9.9488e-05 | 9.9488e-05 | 9.9488e-05 |   0.0 |  0.00
Modify  | 0.19605    | 0.19605    | 0.19605    |   0.0 |  0.42
Other   |            | 0.02846    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115992.0 ave      115992 max      115992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115992
Ave neighs/atom = 57.996000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.948743482244, Press = 3.76523311900813
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -10467.905   -10467.905   -10532.989   -10532.989    251.88126    251.88126    27982.235    27982.235    1683.0664    1683.0664 
   23000   -10465.763   -10465.763   -10532.517   -10532.517    258.34818    258.34818    27974.134    27974.134    2146.0208    2146.0208 
Loop time of 38.254 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.259 ns/day, 10.626 hours/ns, 26.141 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 38.045     | 38.045     | 38.045     |   0.0 | 99.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.026959   | 0.026959   | 0.026959   |   0.0 |  0.07
Output  | 0.00020542 | 0.00020542 | 0.00020542 |   0.0 |  0.00
Modify  | 0.15827    | 0.15827    | 0.15827    |   0.0 |  0.41
Other   |            | 0.02321    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115994.0 ave      115994 max      115994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115994
Ave neighs/atom = 57.997000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.88185577614, Press = 0.0714510383893654
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -10465.763   -10465.763   -10532.517   -10532.517    258.34818    258.34818    27974.134    27974.134    2146.0208    2146.0208 
   24000   -10468.045   -10468.045   -10532.542   -10532.542    249.60868    249.60868    28000.999    28000.999    544.38656    544.38656 
Loop time of 45.9287 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.881 ns/day, 12.758 hours/ns, 21.773 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 45.676     | 45.676     | 45.676     |   0.0 | 99.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032158   | 0.032158   | 0.032158   |   0.0 |  0.07
Output  | 0.00010038 | 0.00010038 | 0.00010038 |   0.0 |  0.00
Modify  | 0.19261    | 0.19261    | 0.19261    |   0.0 |  0.42
Other   |            | 0.02817    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115990.0 ave      115990 max      115990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115990
Ave neighs/atom = 57.995000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.871539501214, Press = -1.60092983775759
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -10468.045   -10468.045   -10532.542   -10532.542    249.60868    249.60868    28000.999    28000.999    544.38656    544.38656 
   25000   -10465.742   -10465.742   -10530.154   -10530.154    249.28212    249.28212     28020.64     28020.64   -259.73324   -259.73324 
Loop time of 38.2756 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.257 ns/day, 10.632 hours/ns, 26.126 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 38.067     | 38.067     | 38.067     |   0.0 | 99.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02677    | 0.02677    | 0.02677    |   0.0 |  0.07
Output  | 9.6095e-05 | 9.6095e-05 | 9.6095e-05 |   0.0 |  0.00
Modify  | 0.15838    | 0.15838    | 0.15838    |   0.0 |  0.41
Other   |            | 0.02356    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115996.0 ave      115996 max      115996 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115996
Ave neighs/atom = 57.998000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.796545923883, Press = -1.38752710501286
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -10465.742   -10465.742   -10530.154   -10530.154    249.28212    249.28212     28020.64     28020.64   -259.73324   -259.73324 
   26000   -10467.359   -10467.359     -10531.3     -10531.3    247.45779    247.45779    28037.286    28037.286   -1304.6823   -1304.6823 
Loop time of 44.8977 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.924 ns/day, 12.472 hours/ns, 22.273 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.65      | 44.65      | 44.65      |   0.0 | 99.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03151    | 0.03151    | 0.03151    |   0.0 |  0.07
Output  | 0.00010744 | 0.00010744 | 0.00010744 |   0.0 |  0.00
Modify  | 0.18823    | 0.18823    | 0.18823    |   0.0 |  0.42
Other   |            | 0.02809    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115998.0 ave      115998 max      115998 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115998
Ave neighs/atom = 57.999000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.769614519285, Press = -1.1677613713863
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -10467.359   -10467.359     -10531.3     -10531.3    247.45779    247.45779    28037.286    28037.286   -1304.6823   -1304.6823 
   27000    -10463.99    -10463.99   -10531.811   -10531.811    262.47397    262.47397    28042.476    28042.476   -1565.3628   -1565.3628 
Loop time of 43.425 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.990 ns/day, 12.062 hours/ns, 23.028 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.187     | 43.187     | 43.187     |   0.0 | 99.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.030115   | 0.030115   | 0.030115   |   0.0 |  0.07
Output  | 6.9216e-05 | 6.9216e-05 | 6.9216e-05 |   0.0 |  0.00
Modify  | 0.18102    | 0.18102    | 0.18102    |   0.0 |  0.42
Other   |            | 0.02659    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115992.0 ave      115992 max      115992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115992
Ave neighs/atom = 57.996000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.780729087514, Press = 0.784264494485453
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000    -10463.99    -10463.99   -10531.811   -10531.811    262.47397    262.47397    28042.476    28042.476   -1565.3628   -1565.3628 
   28000   -10467.332   -10467.332   -10530.029   -10530.029    242.64627    242.64627    27987.939    27987.939    1400.8775    1400.8775 
Loop time of 41.7353 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.070 ns/day, 11.593 hours/ns, 23.961 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.504     | 41.504     | 41.504     |   0.0 | 99.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.029009   | 0.029009   | 0.029009   |   0.0 |  0.07
Output  | 6.8788e-05 | 6.8788e-05 | 6.8788e-05 |   0.0 |  0.00
Modify  | 0.17643    | 0.17643    | 0.17643    |   0.0 |  0.42
Other   |            | 0.02562    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115998.0 ave      115998 max      115998 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115998
Ave neighs/atom = 57.999000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.870655933384, Press = 2.87161476217255
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -10467.332   -10467.332   -10530.029   -10530.029    242.64627    242.64627    27987.939    27987.939    1400.8775    1400.8775 
   29000   -10463.665   -10463.665    -10530.02    -10530.02    256.80245    256.80245    27975.828    27975.828    2106.6409    2106.6409 
Loop time of 41.7441 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.070 ns/day, 11.596 hours/ns, 23.955 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.512     | 41.512     | 41.512     |   0.0 | 99.44
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.029228   | 0.029228   | 0.029228   |   0.0 |  0.07
Output  | 9.8542e-05 | 9.8542e-05 | 9.8542e-05 |   0.0 |  0.00
Modify  | 0.17705    | 0.17705    | 0.17705    |   0.0 |  0.42
Other   |            | 0.02582    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115986.0 ave      115986 max      115986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115986
Ave neighs/atom = 57.993000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.945710976579, Press = -0.00403421418537299
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -10463.665   -10463.665    -10530.02    -10530.02    256.80245    256.80245    27975.828    27975.828    2106.6409    2106.6409 
   30000   -10465.176   -10465.176    -10530.53    -10530.53    252.92894    252.92894    28008.785    28008.785    289.76042    289.76042 
Loop time of 40.0447 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.158 ns/day, 11.124 hours/ns, 24.972 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.825     | 39.825     | 39.825     |   0.0 | 99.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02798    | 0.02798    | 0.02798    |   0.0 |  0.07
Output  | 6.2509e-05 | 6.2509e-05 | 6.2509e-05 |   0.0 |  0.00
Modify  | 0.16735    | 0.16735    | 0.16735    |   0.0 |  0.42
Other   |            | 0.0243     |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115998.0 ave      115998 max      115998 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115998
Ave neighs/atom = 57.999000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.923063904117, Press = -0.917259931044168
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -10465.176   -10465.176    -10530.53    -10530.53    252.92894    252.92894    28008.785    28008.785    289.76042    289.76042 
   31000   -10465.579   -10465.579   -10530.457   -10530.457    251.08406    251.08406    28015.436    28015.436   -22.545941   -22.545941 
Loop time of 41.3841 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.088 ns/day, 11.496 hours/ns, 24.164 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.155     | 41.155     | 41.155     |   0.0 | 99.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.029058   | 0.029058   | 0.029058   |   0.0 |  0.07
Output  | 6.4242e-05 | 6.4242e-05 | 6.4242e-05 |   0.0 |  0.00
Modify  | 0.17468    | 0.17468    | 0.17468    |   0.0 |  0.42
Other   |            | 0.02576    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115992.0 ave      115992 max      115992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115992
Ave neighs/atom = 57.996000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.890606412194, Press = -1.20384896082121
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -10465.579   -10465.579   -10530.457   -10530.457    251.08406    251.08406    28015.436    28015.436   -22.545941   -22.545941 
   32000   -10469.747   -10469.747    -10533.87    -10533.87    248.16341    248.16341    28031.813    28031.813    -1268.014    -1268.014 
Loop time of 42.4504 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.035 ns/day, 11.792 hours/ns, 23.557 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.214     | 42.214     | 42.214     |   0.0 | 99.44
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.029955   | 0.029955   | 0.029955   |   0.0 |  0.07
Output  | 0.00010026 | 0.00010026 | 0.00010026 |   0.0 |  0.00
Modify  | 0.17984    | 0.17984    | 0.17984    |   0.0 |  0.42
Other   |            | 0.02672    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115992.0 ave      115992 max      115992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115992
Ave neighs/atom = 57.996000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.815818416431, Press = -0.579722552260612
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -10469.747   -10469.747    -10533.87    -10533.87    248.16341    248.16341    28031.813    28031.813    -1268.014    -1268.014 
   33000   -10466.561   -10466.561   -10532.307   -10532.307     254.4405     254.4405    28029.901    28029.901   -885.44851   -885.44851 
Loop time of 42.0548 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.054 ns/day, 11.682 hours/ns, 23.779 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.82      | 41.82      | 41.82      |   0.0 | 99.44
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.029685   | 0.029685   | 0.029685   |   0.0 |  0.07
Output  | 6.931e-05  | 6.931e-05  | 6.931e-05  |   0.0 |  0.00
Modify  | 0.17857    | 0.17857    | 0.17857    |   0.0 |  0.42
Other   |            | 0.02639    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115996.0 ave      115996 max      115996 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115996
Ave neighs/atom = 57.998000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.807409818549, Press = 1.46518418184325
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -10466.561   -10466.561   -10532.307   -10532.307     254.4405     254.4405    28029.901    28029.901   -885.44851   -885.44851 
   34000   -10465.518   -10465.518   -10532.449   -10532.449    259.02899    259.02899    27979.681    27979.681    1839.4377    1839.4377 
Loop time of 44.1069 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.959 ns/day, 12.252 hours/ns, 22.672 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.861     | 43.861     | 43.861     |   0.0 | 99.44
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031053   | 0.031053   | 0.031053   |   0.0 |  0.07
Output  | 6.3266e-05 | 6.3266e-05 | 6.3266e-05 |   0.0 |  0.00
Modify  | 0.18754    | 0.18754    | 0.18754    |   0.0 |  0.43
Other   |            | 0.02771    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115990.0 ave      115990 max      115990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115990
Ave neighs/atom = 57.995000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.815581102061, Press = 1.48906420465077
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -10465.518   -10465.518   -10532.449   -10532.449    259.02899    259.02899    27979.681    27979.681    1839.4377    1839.4377 
   35000   -10467.369   -10467.369   -10532.569   -10532.569    252.33014    252.33014    27980.582    27980.582    1718.6896    1718.6896 
Loop time of 42.6826 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.024 ns/day, 11.856 hours/ns, 23.429 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.445     | 42.445     | 42.445     |   0.0 | 99.44
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.029737   | 0.029737   | 0.029737   |   0.0 |  0.07
Output  | 0.0001128  | 0.0001128  | 0.0001128  |   0.0 |  0.00
Modify  | 0.18074    | 0.18074    | 0.18074    |   0.0 |  0.42
Other   |            | 0.02676    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115988.0 ave      115988 max      115988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115988
Ave neighs/atom = 57.994000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.787127094542, Press = -0.561931125634726
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -10467.369   -10467.369   -10532.569   -10532.569    252.33014    252.33014    27980.582    27980.582    1718.6896    1718.6896 
   36000   -10464.365   -10464.365   -10529.794   -10529.794    253.21774    253.21774    28016.604    28016.604    55.191722    55.191722 
Loop time of 45.9493 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.880 ns/day, 12.764 hours/ns, 21.763 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 45.694     | 45.694     | 45.694     |   0.0 | 99.44
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032371   | 0.032371   | 0.032371   |   0.0 |  0.07
Output  | 6.3206e-05 | 6.3206e-05 | 6.3206e-05 |   0.0 |  0.00
Modify  | 0.1944     | 0.1944     | 0.1944     |   0.0 |  0.42
Other   |            | 0.02828    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115992.0 ave      115992 max      115992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115992
Ave neighs/atom = 57.996000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.832165286403, Press = -1.11462066811022
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -10464.365   -10464.365   -10529.794   -10529.794    253.21774    253.21774    28016.604    28016.604    55.191722    55.191722 
   37000    -10465.04    -10465.04   -10533.017   -10533.017    263.07794    263.07794    28026.065    28026.065   -715.01173   -715.01173 
Loop time of 40.9132 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.112 ns/day, 11.365 hours/ns, 24.442 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.69      | 40.69      | 40.69      |   0.0 | 99.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.028615   | 0.028615   | 0.028615   |   0.0 |  0.07
Output  | 9.4256e-05 | 9.4256e-05 | 9.4256e-05 |   0.0 |  0.00
Modify  | 0.1701     | 0.1701     | 0.1701     |   0.0 |  0.42
Other   |            | 0.02451    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115990.0 ave      115990 max      115990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115990
Ave neighs/atom = 57.995000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.802481256186, Press = -0.387579463591628
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000    -10465.04    -10465.04   -10533.017   -10533.017    263.07794    263.07794    28026.065    28026.065   -715.01173   -715.01173 
   38000   -10467.736   -10467.736   -10532.258   -10532.258    249.70692    249.70692    28021.227    28021.227   -571.92624   -571.92624 
Loop time of 44.6285 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.936 ns/day, 12.397 hours/ns, 22.407 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.386     | 44.386     | 44.386     |   0.0 | 99.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031074   | 0.031074   | 0.031074   |   0.0 |  0.07
Output  | 6.3299e-05 | 6.3299e-05 | 6.3299e-05 |   0.0 |  0.00
Modify  | 0.1846     | 0.1846     | 0.1846     |   0.0 |  0.41
Other   |            | 0.02683    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115994.0 ave      115994 max      115994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115994
Ave neighs/atom = 57.997000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.78937025938, Press = -0.185201377337635
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -10467.736   -10467.736   -10532.258   -10532.258    249.70692    249.70692    28021.227    28021.227   -571.92624   -571.92624 
   39000   -10466.535   -10466.535   -10531.653   -10531.653    252.01185    252.01185    28015.148    28015.148   -72.389296   -72.389296 
Loop time of 40.2222 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.148 ns/day, 11.173 hours/ns, 24.862 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.003     | 40.003     | 40.003     |   0.0 | 99.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.028041   | 0.028041   | 0.028041   |   0.0 |  0.07
Output  | 9.7731e-05 | 9.7731e-05 | 9.7731e-05 |   0.0 |  0.00
Modify  | 0.16726    | 0.16726    | 0.16726    |   0.0 |  0.42
Other   |            | 0.02386    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115990.0 ave      115990 max      115990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115990
Ave neighs/atom = 57.995000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.72671483923, Press = 0.205989385962687
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -10466.535   -10466.535   -10531.653   -10531.653    252.01185    252.01185    28015.148    28015.148   -72.389296   -72.389296 
   40000   -10468.141   -10468.141   -10532.627   -10532.627    249.56854    249.56854    27989.206    27989.206    1186.1235    1186.1235 
Loop time of 40.311 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.143 ns/day, 11.198 hours/ns, 24.807 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.091     | 40.091     | 40.091     |   0.0 | 99.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.028066   | 0.028066   | 0.028066   |   0.0 |  0.07
Output  | 9.7609e-05 | 9.7609e-05 | 9.7609e-05 |   0.0 |  0.00
Modify  | 0.16776    | 0.16776    | 0.16776    |   0.0 |  0.42
Other   |            | 0.02397    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115990.0 ave      115990 max      115990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115990
Ave neighs/atom = 57.995000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.735807690981, Press = 0.167868157175959
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -10468.141   -10468.141   -10532.627   -10532.627    249.56854    249.56854    27989.206    27989.206    1186.1235    1186.1235 
   41000   -10466.685   -10466.685   -10532.396   -10532.396    254.30919    254.30919    27988.099    27988.099    1314.4865    1314.4865 
Loop time of 44.0963 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.959 ns/day, 12.249 hours/ns, 22.678 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.854     | 43.854     | 43.854     |   0.0 | 99.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031155   | 0.031155   | 0.031155   |   0.0 |  0.07
Output  | 9.5875e-05 | 9.5875e-05 | 9.5875e-05 |   0.0 |  0.00
Modify  | 0.18422    | 0.18422    | 0.18422    |   0.0 |  0.42
Other   |            | 0.02683    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115986.0 ave      115986 max      115986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115986
Ave neighs/atom = 57.993000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.803316035457, Press = -0.993868623589874
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -10466.685   -10466.685   -10532.396   -10532.396    254.30919    254.30919    27988.099    27988.099    1314.4865    1314.4865 
   42000   -10465.312   -10465.312   -10532.005   -10532.005    258.10997    258.10997    28028.971    28028.971   -799.10171   -799.10171 
Loop time of 47.3963 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.823 ns/day, 13.166 hours/ns, 21.099 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    | 47.135     | 47.135     | 47.135     |   0.0 | 99.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033384   | 0.033384   | 0.033384   |   0.0 |  0.07
Output  | 0.00010049 | 0.00010049 | 0.00010049 |   0.0 |  0.00
Modify  | 0.19908    | 0.19908    | 0.19908    |   0.0 |  0.42
Other   |            | 0.02885    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115988.0 ave      115988 max      115988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115988
Ave neighs/atom = 57.994000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.863588918765, Press = -1.84011226621186
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -10465.312   -10465.312   -10532.005   -10532.005    258.10997    258.10997    28028.971    28028.971   -799.10171   -799.10171 
   43000   -10466.324   -10466.324    -10532.16    -10532.16    254.79056    254.79056    28056.976    28056.976   -2517.9093   -2517.9093 
Loop time of 42.83 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.017 ns/day, 11.897 hours/ns, 23.348 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.598     | 42.598     | 42.598     |   0.0 | 99.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.029798   | 0.029798   | 0.029798   |   0.0 |  0.07
Output  | 9.9795e-05 | 9.9795e-05 | 9.9795e-05 |   0.0 |  0.00
Modify  | 0.17682    | 0.17682    | 0.17682    |   0.0 |  0.41
Other   |            | 0.0254     |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115990.0 ave      115990 max      115990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115990
Ave neighs/atom = 57.995000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.897810197957, Press = -0.738593762200053
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -10466.324   -10466.324    -10532.16    -10532.16    254.79056    254.79056    28056.976    28056.976   -2517.9093   -2517.9093 
   44000   -10469.038   -10469.038   -10533.308   -10533.308    248.72959    248.72959    28017.575    28017.575   -510.42445   -510.42445 
Loop time of 37.7296 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.290 ns/day, 10.480 hours/ns, 26.504 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 37.528     | 37.528     | 37.528     |   0.0 | 99.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.026143   | 0.026143   | 0.026143   |   0.0 |  0.07
Output  | 5.8684e-05 | 5.8684e-05 | 5.8684e-05 |   0.0 |  0.00
Modify  | 0.15388    | 0.15388    | 0.15388    |   0.0 |  0.41
Other   |            | 0.02196    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115994.0 ave      115994 max      115994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115994
Ave neighs/atom = 57.997000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.925274776488, Press = 0.251227521577646
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -10469.038   -10469.038   -10533.308   -10533.308    248.72959    248.72959    28017.575    28017.575   -510.42445   -510.42445 
   45000   -10466.074   -10466.074   -10530.932   -10530.932     251.0051     251.0051    28005.186    28005.186    391.88783    391.88783 
Loop time of 39.8965 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.166 ns/day, 11.082 hours/ns, 25.065 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.682     | 39.682     | 39.682     |   0.0 | 99.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.027793   | 0.027793   | 0.027793   |   0.0 |  0.07
Output  | 7.6195e-05 | 7.6195e-05 | 7.6195e-05 |   0.0 |  0.00
Modify  | 0.16337    | 0.16337    | 0.16337    |   0.0 |  0.41
Other   |            | 0.02343    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115992.0 ave      115992 max      115992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115992
Ave neighs/atom = 57.996000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.907304647165, Press = -0.0271137810677428
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -10466.074   -10466.074   -10530.932   -10530.932     251.0051     251.0051    28005.186    28005.186    391.88783    391.88783 
   46000   -10468.433   -10468.433   -10532.002   -10532.002    246.01728    246.01728    28000.689    28000.689    578.71548    578.71548 
Loop time of 44.9774 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.921 ns/day, 12.494 hours/ns, 22.233 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.73      | 44.73      | 44.73      |   0.0 | 99.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031441   | 0.031441   | 0.031441   |   0.0 |  0.07
Output  | 0.00020414 | 0.00020414 | 0.00020414 |   0.0 |  0.00
Modify  | 0.1881     | 0.1881     | 0.1881     |   0.0 |  0.42
Other   |            | 0.02818    |            |       |  0.06

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115994.0 ave      115994 max      115994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115994
Ave neighs/atom = 57.997000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.856142277519, Press = -0.407922967318408
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -10468.433   -10468.433   -10532.002   -10532.002    246.01728    246.01728    28000.689    28000.689    578.71548    578.71548 
   47000   -10466.769   -10466.769   -10531.076   -10531.076    248.87514    248.87514      28012.4      28012.4    56.092077    56.092077 
Loop time of 37.3251 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.315 ns/day, 10.368 hours/ns, 26.792 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 37.131     | 37.131     | 37.131     |   0.0 | 99.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025484   | 0.025484   | 0.025484   |   0.0 |  0.07
Output  | 6.1263e-05 | 6.1263e-05 | 6.1263e-05 |   0.0 |  0.00
Modify  | 0.14886    | 0.14886    | 0.14886    |   0.0 |  0.40
Other   |            | 0.02004    |            |       |  0.05

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115990.0 ave      115990 max      115990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115990
Ave neighs/atom = 57.995000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.86138928821, Press = -0.798364616249619
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -10466.769   -10466.769   -10531.076   -10531.076    248.87514    248.87514      28012.4      28012.4    56.092077    56.092077 
   48000   -10468.405   -10468.405   -10532.969   -10532.969    249.86849    249.86849    28026.708    28026.708   -1006.3583   -1006.3583 
Loop time of 37.3957 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.310 ns/day, 10.388 hours/ns, 26.741 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 37.2       | 37.2       | 37.2       |   0.0 | 99.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025488   | 0.025488   | 0.025488   |   0.0 |  0.07
Output  | 9.6689e-05 | 9.6689e-05 | 9.6689e-05 |   0.0 |  0.00
Modify  | 0.14946    | 0.14946    | 0.14946    |   0.0 |  0.40
Other   |            | 0.0203     |            |       |  0.05

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115992.0 ave      115992 max      115992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115992
Ave neighs/atom = 57.996000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.84207035077, Press = -0.821121767435546
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -10468.405   -10468.405   -10532.969   -10532.969    249.86849    249.86849    28026.708    28026.708   -1006.3583   -1006.3583 
   49000    -10467.22    -10467.22    -10531.42    -10531.42      248.464      248.464     28032.89     28032.89   -1161.8582   -1161.8582 
Loop time of 37.3746 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.312 ns/day, 10.382 hours/ns, 26.756 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 37.18      | 37.18      | 37.18      |   0.0 | 99.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025458   | 0.025458   | 0.025458   |   0.0 |  0.07
Output  | 9.4626e-05 | 9.4626e-05 | 9.4626e-05 |   0.0 |  0.00
Modify  | 0.1492     | 0.1492     | 0.1492     |   0.0 |  0.40
Other   |            | 0.02019    |            |       |  0.05

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115996.0 ave      115996 max      115996 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115996
Ave neighs/atom = 57.998000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.862317115686, Press = 0.1035799653525
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000    -10467.22    -10467.22    -10531.42    -10531.42      248.464      248.464     28032.89     28032.89   -1161.8582   -1161.8582 
   50000   -10466.855   -10466.855   -10531.565   -10531.565    250.43385    250.43385    28000.649    28000.649    618.48508    618.48508 
Loop time of 37.3288 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.315 ns/day, 10.369 hours/ns, 26.789 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 37.134     | 37.134     | 37.134     |   0.0 | 99.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02544    | 0.02544    | 0.02544    |   0.0 |  0.07
Output  | 8.8195e-05 | 8.8195e-05 | 8.8195e-05 |   0.0 |  0.00
Modify  | 0.14908    | 0.14908    | 0.14908    |   0.0 |  0.40
Other   |            | 0.02022    |            |       |  0.05

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115990.0 ave      115990 max      115990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115990
Ave neighs/atom = 57.995000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.848207695907, Press = 0.795322935740655
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -10466.855   -10466.855   -10531.565   -10531.565    250.43385    250.43385    28000.649    28000.649    618.48508    618.48508 
   51000   -10468.401   -10468.401   -10532.973   -10532.973    249.89738    249.89738    27957.304    27957.304    2960.0317    2960.0317 
Loop time of 37.3738 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.312 ns/day, 10.382 hours/ns, 26.757 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 37.179     | 37.179     | 37.179     |   0.0 | 99.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025484   | 0.025484   | 0.025484   |   0.0 |  0.07
Output  | 6.0886e-05 | 6.0886e-05 | 6.0886e-05 |   0.0 |  0.00
Modify  | 0.14898    | 0.14898    | 0.14898    |   0.0 |  0.40
Other   |            | 0.02005    |            |       |  0.05

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115996.0 ave      115996 max      115996 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115996
Ave neighs/atom = 57.998000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.857184221114, Press = -0.153634067364578
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -10468.401   -10468.401   -10532.973   -10532.973    249.89738    249.89738    27957.304    27957.304    2960.0317    2960.0317 
   52000   -10466.258   -10466.258   -10532.389   -10532.389    255.93442    255.93442    27989.652    27989.652      1231.14      1231.14 
Loop time of 37.2854 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.317 ns/day, 10.357 hours/ns, 26.820 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 37.091     | 37.091     | 37.091     |   0.0 | 99.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025433   | 0.025433   | 0.025433   |   0.0 |  0.07
Output  | 9.536e-05  | 9.536e-05  | 9.536e-05  |   0.0 |  0.00
Modify  | 0.14911    | 0.14911    | 0.14911    |   0.0 |  0.40
Other   |            | 0.02011    |            |       |  0.05

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115994.0 ave      115994 max      115994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115994
Ave neighs/atom = 57.997000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.821260134456, Press = -1.25599584982568
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -10466.258   -10466.258   -10532.389   -10532.389    255.93442    255.93442    27989.652    27989.652      1231.14      1231.14 
   53000   -10467.298   -10467.298   -10533.335   -10533.335    255.57299    255.57299    28020.212    28020.212   -487.17507   -487.17507 
Loop time of 37.3029 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.316 ns/day, 10.362 hours/ns, 26.808 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 37.108     | 37.108     | 37.108     |   0.0 | 99.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025447   | 0.025447   | 0.025447   |   0.0 |  0.07
Output  | 6.1758e-05 | 6.1758e-05 | 6.1758e-05 |   0.0 |  0.00
Modify  | 0.14887    | 0.14887    | 0.14887    |   0.0 |  0.40
Other   |            | 0.02007    |            |       |  0.05

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115992.0 ave      115992 max      115992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115992
Ave neighs/atom = 57.996000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.828219698062, Press = -0.715529880618465
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -10467.298   -10467.298   -10533.335   -10533.335    255.57299    255.57299    28020.212    28020.212   -487.17507   -487.17507 
   54000   -10464.632   -10464.632   -10530.278   -10530.278    254.05754    254.05754    28028.879    28028.879   -577.96538   -577.96538 
Loop time of 37.37 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.312 ns/day, 10.381 hours/ns, 26.759 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 37.176     | 37.176     | 37.176     |   0.0 | 99.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025441   | 0.025441   | 0.025441   |   0.0 |  0.07
Output  | 5.8519e-05 | 5.8519e-05 | 5.8519e-05 |   0.0 |  0.00
Modify  | 0.14893    | 0.14893    | 0.14893    |   0.0 |  0.40
Other   |            | 0.02003    |            |       |  0.05

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115994.0 ave      115994 max      115994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115994
Ave neighs/atom = 57.997000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.856456495832, Press = -0.248575829945348
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -10464.632   -10464.632   -10530.278   -10530.278    254.05754    254.05754    28028.879    28028.879   -577.96538   -577.96538 
   55000    -10463.21    -10463.21   -10530.174   -10530.174    259.15924    259.15924    28017.004    28017.004    151.18914    151.18914 
Loop time of 37.3452 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.314 ns/day, 10.374 hours/ns, 26.777 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 37.15      | 37.15      | 37.15      |   0.0 | 99.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025493   | 0.025493   | 0.025493   |   0.0 |  0.07
Output  | 9.612e-05  | 9.612e-05  | 9.612e-05  |   0.0 |  0.00
Modify  | 0.14904    | 0.14904    | 0.14904    |   0.0 |  0.40
Other   |            | 0.02011    |            |       |  0.05

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115984.0 ave      115984 max      115984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115984
Ave neighs/atom = 57.992000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.88034226717, Press = 0.0900861155643374
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000    -10463.21    -10463.21   -10530.174   -10530.174    259.15924    259.15924    28017.004    28017.004    151.18914    151.18914 
   56000   -10466.121   -10466.121   -10533.101   -10533.101    259.21867    259.21867     27966.12     27966.12    2661.7071    2661.7071 
Loop time of 37.3235 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.315 ns/day, 10.368 hours/ns, 26.793 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 37.129     | 37.129     | 37.129     |   0.0 | 99.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025387   | 0.025387   | 0.025387   |   0.0 |  0.07
Output  | 6.0944e-05 | 6.0944e-05 | 6.0944e-05 |   0.0 |  0.00
Modify  | 0.14894    | 0.14894    | 0.14894    |   0.0 |  0.40
Other   |            | 0.02009    |            |       |  0.05

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115994.0 ave      115994 max      115994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115994
Ave neighs/atom = 57.997000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.911725482248, Press = 0.469791262916507
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -10466.121   -10466.121   -10533.101   -10533.101    259.21867    259.21867     27966.12     27966.12    2661.7071    2661.7071 
   57000    -10461.72    -10461.72   -10528.034   -10528.034    256.63906    256.63906    27968.011    27968.011    2897.9662    2897.9662 
Loop time of 37.2974 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.317 ns/day, 10.360 hours/ns, 26.812 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 37.103     | 37.103     | 37.103     |   0.0 | 99.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025454   | 0.025454   | 0.025454   |   0.0 |  0.07
Output  | 5.9247e-05 | 5.9247e-05 | 5.9247e-05 |   0.0 |  0.00
Modify  | 0.14916    | 0.14916    | 0.14916    |   0.0 |  0.40
Other   |            | 0.0201     |            |       |  0.05

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115988.0 ave      115988 max      115988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115988
Ave neighs/atom = 57.994000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 252.970539404109, Press = -0.985067564373976
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000    -10461.72    -10461.72   -10528.034   -10528.034    256.63906    256.63906    27968.011    27968.011    2897.9662    2897.9662 
   58000   -10467.054   -10467.054   -10531.578   -10531.578    249.71314    249.71314    28018.933    28018.933   -354.75629   -354.75629 
Loop time of 37.2991 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.316 ns/day, 10.361 hours/ns, 26.810 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 37.104     | 37.104     | 37.104     |   0.0 | 99.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025522   | 0.025522   | 0.025522   |   0.0 |  0.07
Output  | 6.1835e-05 | 6.1835e-05 | 6.1835e-05 |   0.0 |  0.00
Modify  | 0.1492     | 0.1492     | 0.1492     |   0.0 |  0.40
Other   |            | 0.02017    |            |       |  0.05

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115984.0 ave      115984 max      115984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115984
Ave neighs/atom = 57.992000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.003779790073, Press = -1.17165193081461
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -10467.054   -10467.054   -10531.578   -10531.578    249.71314    249.71314    28018.933    28018.933   -354.75629   -354.75629 
   59000    -10464.14    -10464.14    -10531.24    -10531.24    259.68217    259.68217    28047.947    28047.947   -1924.7837   -1924.7837 
Loop time of 37.2848 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.317 ns/day, 10.357 hours/ns, 26.821 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 37.09      | 37.09      | 37.09      |   0.0 | 99.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025434   | 0.025434   | 0.025434   |   0.0 |  0.07
Output  | 9.9149e-05 | 9.9149e-05 | 9.9149e-05 |   0.0 |  0.00
Modify  | 0.14927    | 0.14927    | 0.14927    |   0.0 |  0.40
Other   |            | 0.02016    |            |       |  0.05

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115992.0 ave      115992 max      115992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115992
Ave neighs/atom = 57.996000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 253.026053347783, Press = -0.54117398389461
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.6
  ghost atom cutoff = 5.6
  binsize = 2.8, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.701 | 3.701 | 3.701 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000    -10464.14    -10464.14    -10531.24    -10531.24    259.68217    259.68217    28047.947    28047.947   -1924.7837   -1924.7837 
   60000   -10466.624   -10466.624   -10530.721   -10530.721    248.06131    248.06131     28026.45     28026.45   -671.33512   -671.33512 
Loop time of 37.333 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.314 ns/day, 10.370 hours/ns, 26.786 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 37.139     | 37.139     | 37.139     |   0.0 | 99.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025428   | 0.025428   | 0.025428   |   0.0 |  0.07
Output  | 5.898e-05  | 5.898e-05  | 5.898e-05  |   0.0 |  0.00
Modify  | 0.14893    | 0.14893    | 0.14893    |   0.0 |  0.40
Other   |            | 0.02011    |            |       |  0.05

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2941.00 ave        2941 max        2941 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      115998.0 ave      115998 max      115998 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 115998
Ave neighs/atom = 57.999000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T253.15.out"  else  "print 'not_converged'  file output/vol_T253.15.out"
print '${V}'  file output/vol_T253.15.out
28013.2549022044

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0